USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1045 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 88 SER OG : rot 17:sc= 0.925 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 152:sc= -0.0689 (180deg=0) USER MOD Set 1.3: A 95 HIS : no HE2:sc= -2.18 K(o=-1.1,f=-4.9!) USER MOD Set 1.4: A 99 SER OG : rot -8:sc= 0.269 USER MOD Set 2.1: A 59 SER OG : rot -69:sc= -0.843 USER MOD Set 2.2: A 85 TYR OH : rot -17:sc= -0.185! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 19 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= 0.976 (180deg=-0.745) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -62:sc= -1.23! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.031 (180deg=-0.365) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -11:sc= -0.246 USER MOD Single : A 77 TYR OH : rot -62:sc= 0.864 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0.952 F(o=-1.4!,f=0.95) USER MOD Single : A 107 SER OG : rot 180:sc= -4.6! USER MOD Single : A 109 SER OG : rot 50:sc= -2.7! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -63:sc= 0.68 USER MOD Single : A 119 SER OG : rot -47:sc= 0.981 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 157:sc= -0.527 (180deg=-1.36!) USER MOD Single : B 3 SER OG : rot 9:sc= 0.993! USER MOD Single : B 4 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.188) USER MOD Single : B 7 LYS NZ :NH3+ -122:sc= -0.959 (180deg=-2.65!) USER MOD Single : B 11 SER OG : rot -170:sc= -0.417 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 121.187 10.588 47.226 1.00 6.50 N ATOM 2 CA GLY A 1 121.054 9.361 46.321 1.00 6.23 C ATOM 3 C GLY A 1 122.153 8.357 46.276 1.00 6.29 C ATOM 4 O GLY A 1 123.291 8.659 46.574 1.00 6.64 O ATOM 0 H1 GLY A 1 120.337 11.180 47.136 1.00 6.50 H new ATOM 0 H2 GLY A 1 121.292 10.281 48.214 1.00 6.50 H new ATOM 0 H3 GLY A 1 122.023 11.138 46.944 1.00 6.50 H new ATOM 0 HA2 GLY A 1 120.145 8.836 46.615 1.00 6.23 H new ATOM 0 HA3 GLY A 1 120.900 9.721 45.304 1.00 6.23 H new ATOM 10 N ILE A 2 121.848 7.146 45.892 1.00 6.02 N ATOM 11 CA ILE A 2 122.885 6.097 45.813 1.00 6.16 C ATOM 12 C ILE A 2 122.260 4.864 45.149 1.00 5.79 C ATOM 13 O ILE A 2 122.376 3.767 45.651 1.00 5.94 O ATOM 14 CB ILE A 2 123.382 5.763 47.236 1.00 6.64 C ATOM 15 CG1 ILE A 2 124.574 4.787 47.165 1.00 7.00 C ATOM 16 CG2 ILE A 2 122.245 5.142 48.072 1.00 7.08 C ATOM 17 CD1 ILE A 2 125.389 4.873 48.459 1.00 7.04 C ATOM 0 H ILE A 2 120.910 6.843 45.628 1.00 6.02 H new ATOM 0 HA ILE A 2 123.739 6.433 45.225 1.00 6.16 H new ATOM 0 HB ILE A 2 123.705 6.687 47.716 1.00 6.64 H new ATOM 0 HG12 ILE A 2 124.214 3.769 47.017 1.00 7.00 H new ATOM 0 HG13 ILE A 2 125.205 5.030 46.310 1.00 7.00 H new ATOM 0 HG21 ILE A 2 122.612 4.913 49.072 1.00 7.08 H new ATOM 0 HG22 ILE A 2 121.418 5.848 48.142 1.00 7.08 H new ATOM 0 HG23 ILE A 2 121.900 4.226 47.593 1.00 7.08 H new ATOM 0 HD11 ILE A 2 126.230 4.182 48.406 1.00 7.04 H new ATOM 0 HD12 ILE A 2 125.761 5.889 48.588 1.00 7.04 H new ATOM 0 HD13 ILE A 2 124.756 4.609 49.306 1.00 7.04 H new ATOM 29 N PRO A 3 121.612 5.068 44.020 1.00 5.36 N ATOM 30 CA PRO A 3 120.985 3.956 43.301 1.00 5.06 C ATOM 31 C PRO A 3 122.047 2.925 42.991 1.00 5.29 C ATOM 32 O PRO A 3 122.157 1.915 43.657 1.00 5.50 O ATOM 33 CB PRO A 3 120.414 4.589 42.006 1.00 4.64 C ATOM 34 CG PRO A 3 120.926 6.054 41.953 1.00 4.75 C ATOM 35 CD PRO A 3 121.470 6.388 43.355 1.00 5.21 C ATOM 0 HA PRO A 3 120.200 3.456 43.867 1.00 5.06 H new ATOM 0 HB2 PRO A 3 120.743 4.034 41.128 1.00 4.64 H new ATOM 0 HB3 PRO A 3 119.324 4.561 42.011 1.00 4.64 H new ATOM 0 HG2 PRO A 3 121.706 6.164 41.200 1.00 4.75 H new ATOM 0 HG3 PRO A 3 120.120 6.735 41.679 1.00 4.75 H new ATOM 0 HD2 PRO A 3 122.426 6.908 43.297 1.00 5.21 H new ATOM 0 HD3 PRO A 3 120.786 7.037 43.902 1.00 5.21 H new ATOM 43 N GLU A 4 122.779 3.129 41.937 1.00 5.31 N ATOM 44 CA GLU A 4 123.785 2.100 41.529 1.00 5.63 C ATOM 45 C GLU A 4 122.949 0.961 40.948 1.00 5.43 C ATOM 46 O GLU A 4 123.392 0.141 40.169 1.00 5.60 O ATOM 47 CB GLU A 4 124.602 1.625 42.751 1.00 6.12 C ATOM 48 CG GLU A 4 126.019 1.233 42.315 1.00 6.48 C ATOM 49 CD GLU A 4 126.805 0.730 43.527 1.00 6.49 C ATOM 50 OE1 GLU A 4 126.521 -0.367 43.979 1.00 6.75 O ATOM 51 OE2 GLU A 4 127.679 1.450 43.982 1.00 6.52 O ATOM 0 H GLU A 4 122.730 3.955 41.340 1.00 5.31 H new ATOM 0 HA GLU A 4 124.510 2.483 40.811 1.00 5.63 H new ATOM 0 HB2 GLU A 4 124.649 2.418 43.498 1.00 6.12 H new ATOM 0 HB3 GLU A 4 124.109 0.774 43.220 1.00 6.12 H new ATOM 0 HG2 GLU A 4 125.974 0.458 41.550 1.00 6.48 H new ATOM 0 HG3 GLU A 4 126.525 2.090 41.871 1.00 6.48 H new ATOM 58 N PHE A 5 121.700 0.993 41.314 1.00 5.16 N ATOM 59 CA PHE A 5 120.685 0.053 40.838 1.00 5.00 C ATOM 60 C PHE A 5 120.145 0.702 39.572 1.00 4.64 C ATOM 61 O PHE A 5 119.068 0.410 39.092 1.00 4.55 O ATOM 62 CB PHE A 5 119.591 -0.008 41.922 1.00 4.89 C ATOM 63 CG PHE A 5 119.872 -1.152 42.873 1.00 5.24 C ATOM 64 CD1 PHE A 5 121.172 -1.366 43.345 1.00 5.59 C ATOM 65 CD2 PHE A 5 118.832 -1.998 43.280 1.00 5.36 C ATOM 66 CE1 PHE A 5 121.433 -2.424 44.225 1.00 6.01 C ATOM 67 CE2 PHE A 5 119.093 -3.056 44.159 1.00 5.76 C ATOM 68 CZ PHE A 5 120.393 -3.269 44.631 1.00 6.07 C ATOM 0 H PHE A 5 121.334 1.685 41.968 1.00 5.16 H new ATOM 0 HA PHE A 5 121.049 -0.956 40.645 1.00 5.00 H new ATOM 0 HB2 PHE A 5 119.558 0.933 42.471 1.00 4.89 H new ATOM 0 HB3 PHE A 5 118.614 -0.141 41.458 1.00 4.89 H new ATOM 0 HD1 PHE A 5 121.974 -0.715 43.031 1.00 5.59 H new ATOM 0 HD2 PHE A 5 117.829 -1.834 42.916 1.00 5.36 H new ATOM 0 HE1 PHE A 5 122.436 -2.588 44.590 1.00 6.01 H new ATOM 0 HE2 PHE A 5 118.291 -3.708 44.473 1.00 5.76 H new ATOM 0 HZ PHE A 5 120.594 -4.085 45.309 1.00 6.07 H new ATOM 78 N PHE A 6 120.913 1.635 39.074 1.00 4.56 N ATOM 79 CA PHE A 6 120.529 2.413 37.876 1.00 4.25 C ATOM 80 C PHE A 6 119.078 2.855 38.003 1.00 3.91 C ATOM 81 O PHE A 6 118.582 3.060 39.092 1.00 3.94 O ATOM 82 CB PHE A 6 120.741 1.608 36.588 1.00 4.31 C ATOM 83 CG PHE A 6 120.034 0.272 36.670 1.00 4.35 C ATOM 84 CD1 PHE A 6 120.691 -0.833 37.229 1.00 4.57 C ATOM 85 CD2 PHE A 6 118.729 0.133 36.181 1.00 4.48 C ATOM 86 CE1 PHE A 6 120.042 -2.071 37.301 1.00 4.72 C ATOM 87 CE2 PHE A 6 118.081 -1.106 36.253 1.00 4.63 C ATOM 88 CZ PHE A 6 118.737 -2.208 36.814 1.00 4.65 C ATOM 0 H PHE A 6 121.819 1.892 39.467 1.00 4.56 H new ATOM 0 HA PHE A 6 121.171 3.292 37.814 1.00 4.25 H new ATOM 0 HB2 PHE A 6 120.365 2.172 35.735 1.00 4.31 H new ATOM 0 HB3 PHE A 6 121.807 1.452 36.422 1.00 4.31 H new ATOM 0 HD1 PHE A 6 121.698 -0.729 37.604 1.00 4.57 H new ATOM 0 HD2 PHE A 6 118.222 0.983 35.748 1.00 4.48 H new ATOM 0 HE1 PHE A 6 120.549 -2.921 37.733 1.00 4.72 H new ATOM 0 HE2 PHE A 6 117.075 -1.212 35.876 1.00 4.63 H new ATOM 0 HZ PHE A 6 118.236 -3.163 36.871 1.00 4.65 H new ATOM 98 N GLN A 7 118.422 3.059 36.897 1.00 3.67 N ATOM 99 CA GLN A 7 117.017 3.552 36.917 1.00 3.44 C ATOM 100 C GLN A 7 117.131 5.057 37.065 1.00 3.39 C ATOM 101 O GLN A 7 116.185 5.804 36.915 1.00 3.31 O ATOM 102 CB GLN A 7 116.217 2.937 38.089 1.00 3.53 C ATOM 103 CG GLN A 7 114.735 2.824 37.712 1.00 3.71 C ATOM 104 CD GLN A 7 114.162 4.220 37.458 1.00 4.00 C ATOM 105 OE1 GLN A 7 114.212 5.076 38.319 1.00 4.40 O ATOM 106 NE2 GLN A 7 113.616 4.488 36.303 1.00 4.34 N ATOM 0 H GLN A 7 118.805 2.903 35.965 1.00 3.67 H new ATOM 0 HA GLN A 7 116.478 3.269 36.013 1.00 3.44 H new ATOM 0 HB2 GLN A 7 116.614 1.952 38.334 1.00 3.53 H new ATOM 0 HB3 GLN A 7 116.328 3.556 38.980 1.00 3.53 H new ATOM 0 HG2 GLN A 7 114.622 2.206 36.821 1.00 3.71 H new ATOM 0 HG3 GLN A 7 114.182 2.333 38.513 1.00 3.71 H new ATOM 0 HE21 GLN A 7 113.574 3.770 35.580 1.00 4.34 H new ATOM 0 HE22 GLN A 7 113.232 5.416 36.124 1.00 4.34 H new ATOM 115 N PHE A 8 118.334 5.491 37.333 1.00 3.56 N ATOM 116 CA PHE A 8 118.615 6.941 37.470 1.00 3.66 C ATOM 117 C PHE A 8 120.050 7.183 37.035 1.00 3.86 C ATOM 118 O PHE A 8 120.364 8.154 36.376 1.00 3.90 O ATOM 119 CB PHE A 8 118.417 7.391 38.919 1.00 3.88 C ATOM 120 CG PHE A 8 118.731 8.864 39.034 1.00 4.09 C ATOM 121 CD1 PHE A 8 117.764 9.815 38.689 1.00 4.13 C ATOM 122 CD2 PHE A 8 119.991 9.278 39.485 1.00 4.61 C ATOM 123 CE1 PHE A 8 118.056 11.180 38.794 1.00 4.64 C ATOM 124 CE2 PHE A 8 120.282 10.643 39.590 1.00 5.15 C ATOM 125 CZ PHE A 8 119.315 11.594 39.245 1.00 5.15 C ATOM 0 H PHE A 8 119.145 4.887 37.464 1.00 3.56 H new ATOM 0 HA PHE A 8 117.929 7.515 36.847 1.00 3.66 H new ATOM 0 HB2 PHE A 8 117.391 7.201 39.233 1.00 3.88 H new ATOM 0 HB3 PHE A 8 119.065 6.817 39.581 1.00 3.88 H new ATOM 0 HD1 PHE A 8 116.792 9.496 38.342 1.00 4.13 H new ATOM 0 HD2 PHE A 8 120.737 8.544 39.752 1.00 4.61 H new ATOM 0 HE1 PHE A 8 117.310 11.914 38.527 1.00 4.64 H new ATOM 0 HE2 PHE A 8 121.253 10.963 39.937 1.00 5.15 H new ATOM 0 HZ PHE A 8 119.540 12.647 39.327 1.00 5.15 H new ATOM 135 N THR A 9 120.911 6.270 37.361 1.00 4.05 N ATOM 136 CA THR A 9 122.327 6.381 36.934 1.00 4.35 C ATOM 137 C THR A 9 122.435 5.593 35.640 1.00 4.27 C ATOM 138 O THR A 9 123.495 5.420 35.073 1.00 4.54 O ATOM 139 CB THR A 9 123.235 5.756 37.995 1.00 4.71 C ATOM 140 OG1 THR A 9 122.995 6.379 39.249 1.00 4.79 O ATOM 141 CG2 THR A 9 124.705 5.941 37.604 1.00 5.13 C ATOM 0 H THR A 9 120.692 5.440 37.912 1.00 4.05 H new ATOM 0 HA THR A 9 122.628 7.420 36.800 1.00 4.35 H new ATOM 0 HB THR A 9 123.018 4.690 38.068 1.00 4.71 H new ATOM 0 HG1 THR A 9 123.575 5.978 39.930 1.00 4.79 H new ATOM 0 HG21 THR A 9 125.343 5.493 38.365 1.00 5.13 H new ATOM 0 HG22 THR A 9 124.890 5.457 36.645 1.00 5.13 H new ATOM 0 HG23 THR A 9 124.929 7.005 37.523 1.00 5.13 H new ATOM 149 N VAL A 10 121.311 5.106 35.181 1.00 3.98 N ATOM 150 CA VAL A 10 121.284 4.307 33.929 1.00 3.98 C ATOM 151 C VAL A 10 122.130 5.011 32.864 1.00 4.13 C ATOM 152 O VAL A 10 122.940 4.405 32.191 1.00 4.38 O ATOM 153 CB VAL A 10 119.831 4.158 33.455 1.00 3.67 C ATOM 154 CG1 VAL A 10 119.272 5.518 33.034 1.00 3.45 C ATOM 155 CG2 VAL A 10 119.769 3.186 32.271 1.00 3.81 C ATOM 0 H VAL A 10 120.403 5.232 35.629 1.00 3.98 H new ATOM 0 HA VAL A 10 121.698 3.314 34.107 1.00 3.98 H new ATOM 0 HB VAL A 10 119.231 3.767 34.276 1.00 3.67 H new ATOM 0 HG11 VAL A 10 118.241 5.400 32.700 1.00 3.45 H new ATOM 0 HG12 VAL A 10 119.302 6.202 33.882 1.00 3.45 H new ATOM 0 HG13 VAL A 10 119.873 5.922 32.220 1.00 3.45 H new ATOM 0 HG21 VAL A 10 118.736 3.083 31.938 1.00 3.81 H new ATOM 0 HG22 VAL A 10 120.378 3.570 31.452 1.00 3.81 H new ATOM 0 HG23 VAL A 10 120.149 2.212 32.579 1.00 3.81 H new ATOM 165 N GLY A 11 121.946 6.295 32.724 1.00 4.03 N ATOM 166 CA GLY A 11 122.730 7.088 31.720 1.00 4.22 C ATOM 167 C GLY A 11 121.757 7.967 30.921 1.00 3.95 C ATOM 168 O GLY A 11 121.588 9.126 31.244 1.00 4.02 O ATOM 0 H GLY A 11 121.278 6.841 33.268 1.00 4.03 H new ATOM 0 HA2 GLY A 11 123.472 7.707 32.224 1.00 4.22 H new ATOM 0 HA3 GLY A 11 123.273 6.420 31.051 1.00 4.22 H new ATOM 172 N PRO A 12 121.111 7.400 29.921 1.00 3.78 N ATOM 173 CA PRO A 12 120.122 8.148 29.115 1.00 3.70 C ATOM 174 C PRO A 12 118.900 8.452 29.998 1.00 3.49 C ATOM 175 O PRO A 12 117.770 8.377 29.556 1.00 3.54 O ATOM 176 CB PRO A 12 119.751 7.179 27.973 1.00 3.74 C ATOM 177 CG PRO A 12 120.242 5.778 28.412 1.00 3.77 C ATOM 178 CD PRO A 12 121.304 5.996 29.503 1.00 3.85 C ATOM 0 HA PRO A 12 120.494 9.098 28.730 1.00 3.70 H new ATOM 0 HB2 PRO A 12 118.675 7.177 27.800 1.00 3.74 H new ATOM 0 HB3 PRO A 12 120.224 7.481 27.038 1.00 3.74 H new ATOM 0 HG2 PRO A 12 119.414 5.181 28.794 1.00 3.77 H new ATOM 0 HG3 PRO A 12 120.664 5.234 27.566 1.00 3.77 H new ATOM 0 HD2 PRO A 12 121.164 5.309 30.338 1.00 3.85 H new ATOM 0 HD3 PRO A 12 122.310 5.830 29.118 1.00 3.85 H new ATOM 186 N LEU A 13 119.143 8.767 31.250 1.00 3.44 N ATOM 187 CA LEU A 13 118.044 9.061 32.236 1.00 3.29 C ATOM 188 C LEU A 13 116.809 8.217 31.903 1.00 3.00 C ATOM 189 O LEU A 13 115.680 8.644 32.046 1.00 2.85 O ATOM 190 CB LEU A 13 117.697 10.574 32.262 1.00 3.36 C ATOM 191 CG LEU A 13 117.922 11.227 30.886 1.00 3.37 C ATOM 192 CD1 LEU A 13 117.185 12.575 30.843 1.00 3.46 C ATOM 193 CD2 LEU A 13 119.439 11.443 30.622 1.00 3.67 C ATOM 0 H LEU A 13 120.082 8.835 31.642 1.00 3.44 H new ATOM 0 HA LEU A 13 118.393 8.795 33.234 1.00 3.29 H new ATOM 0 HB2 LEU A 13 116.658 10.705 32.563 1.00 3.36 H new ATOM 0 HB3 LEU A 13 118.311 11.077 33.009 1.00 3.36 H new ATOM 0 HG LEU A 13 117.532 10.568 30.111 1.00 3.37 H new ATOM 0 HD11 LEU A 13 117.340 13.044 29.871 1.00 3.46 H new ATOM 0 HD12 LEU A 13 116.119 12.412 31.002 1.00 3.46 H new ATOM 0 HD13 LEU A 13 117.573 13.227 31.626 1.00 3.46 H new ATOM 0 HD21 LEU A 13 119.576 11.905 29.645 1.00 3.67 H new ATOM 0 HD22 LEU A 13 119.853 12.093 31.392 1.00 3.67 H new ATOM 0 HD23 LEU A 13 119.953 10.482 30.644 1.00 3.67 H new ATOM 205 N GLY A 14 117.033 7.012 31.453 1.00 2.97 N ATOM 206 CA GLY A 14 115.900 6.113 31.096 1.00 2.73 C ATOM 207 C GLY A 14 115.215 6.637 29.837 1.00 2.55 C ATOM 208 O GLY A 14 114.809 5.881 28.976 1.00 2.44 O ATOM 0 H GLY A 14 117.960 6.609 31.317 1.00 2.97 H new ATOM 0 HA2 GLY A 14 116.264 5.099 30.930 1.00 2.73 H new ATOM 0 HA3 GLY A 14 115.186 6.065 31.918 1.00 2.73 H new ATOM 212 N GLU A 15 115.077 7.928 29.729 1.00 2.58 N ATOM 213 CA GLU A 15 114.408 8.515 28.531 1.00 2.51 C ATOM 214 C GLU A 15 113.047 7.838 28.325 1.00 2.29 C ATOM 215 O GLU A 15 112.357 8.080 27.355 1.00 2.29 O ATOM 216 CB GLU A 15 115.302 8.311 27.303 1.00 2.63 C ATOM 217 CG GLU A 15 114.662 8.964 26.067 1.00 2.71 C ATOM 218 CD GLU A 15 115.740 9.258 25.018 1.00 2.55 C ATOM 219 OE1 GLU A 15 116.074 8.353 24.272 1.00 2.74 O ATOM 220 OE2 GLU A 15 116.212 10.382 24.981 1.00 2.97 O ATOM 0 H GLU A 15 115.399 8.606 30.420 1.00 2.58 H new ATOM 0 HA GLU A 15 114.249 9.583 28.678 1.00 2.51 H new ATOM 0 HB2 GLU A 15 116.286 8.744 27.484 1.00 2.63 H new ATOM 0 HB3 GLU A 15 115.451 7.246 27.125 1.00 2.63 H new ATOM 0 HG2 GLU A 15 113.904 8.303 25.647 1.00 2.71 H new ATOM 0 HG3 GLU A 15 114.158 9.887 26.352 1.00 2.71 H new ATOM 227 N GLY A 16 112.650 7.007 29.250 1.00 2.21 N ATOM 228 CA GLY A 16 111.332 6.321 29.146 1.00 2.06 C ATOM 229 C GLY A 16 111.248 5.477 27.867 1.00 1.98 C ATOM 230 O GLY A 16 111.527 5.941 26.780 1.00 2.44 O ATOM 0 H GLY A 16 113.190 6.772 30.083 1.00 2.21 H new ATOM 0 HA2 GLY A 16 111.181 5.683 30.017 1.00 2.06 H new ATOM 0 HA3 GLY A 16 110.532 7.061 29.150 1.00 2.06 H new ATOM 234 N GLY A 17 110.838 4.242 27.998 1.00 1.81 N ATOM 235 CA GLY A 17 110.697 3.353 26.808 1.00 1.74 C ATOM 236 C GLY A 17 112.067 3.015 26.222 1.00 1.78 C ATOM 237 O GLY A 17 112.403 1.867 26.010 1.00 1.80 O ATOM 0 H GLY A 17 110.593 3.808 28.888 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.181 2.436 27.092 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.083 3.843 26.052 1.00 1.74 H new ATOM 241 N ALA A 18 112.835 4.017 25.933 1.00 1.84 N ATOM 242 CA ALA A 18 114.187 3.811 25.325 1.00 1.96 C ATOM 243 C ALA A 18 114.915 2.650 26.007 1.00 2.07 C ATOM 244 O ALA A 18 115.900 2.146 25.505 1.00 2.21 O ATOM 245 CB ALA A 18 115.011 5.099 25.497 1.00 2.09 C ATOM 0 H ALA A 18 112.586 4.993 26.092 1.00 1.84 H new ATOM 0 HA ALA A 18 114.069 3.574 24.268 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.999 4.960 25.057 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.504 5.925 24.998 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.115 5.326 26.558 1.00 2.09 H new ATOM 251 N HIS A 19 114.462 2.243 27.156 1.00 2.06 N ATOM 252 CA HIS A 19 115.151 1.140 27.884 1.00 2.21 C ATOM 253 C HIS A 19 114.511 -0.215 27.556 1.00 2.15 C ATOM 254 O HIS A 19 115.195 -1.199 27.356 1.00 2.33 O ATOM 255 CB HIS A 19 115.043 1.421 29.387 1.00 2.33 C ATOM 256 CG HIS A 19 115.485 0.217 30.179 1.00 2.51 C ATOM 257 ND1 HIS A 19 114.715 -0.932 30.271 1.00 2.79 N ATOM 258 CD2 HIS A 19 116.615 -0.030 30.919 1.00 2.86 C ATOM 259 CE1 HIS A 19 115.385 -1.809 31.042 1.00 2.87 C ATOM 260 NE2 HIS A 19 116.550 -1.309 31.463 1.00 2.87 N ATOM 0 H HIS A 19 113.642 2.626 27.626 1.00 2.06 H new ATOM 0 HA HIS A 19 116.196 1.096 27.578 1.00 2.21 H new ATOM 0 HB2 HIS A 19 115.659 2.282 29.648 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.014 1.675 29.643 1.00 2.33 H new ATOM 0 HD2 HIS A 19 117.431 0.664 31.058 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.025 -2.796 31.290 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.243 -1.766 32.056 1.00 2.87 H new ATOM 268 N LYS A 20 113.209 -0.286 27.529 1.00 2.02 N ATOM 269 CA LYS A 20 112.533 -1.590 27.248 1.00 2.01 C ATOM 270 C LYS A 20 112.269 -1.760 25.750 1.00 1.90 C ATOM 271 O LYS A 20 112.337 -2.854 25.226 1.00 1.96 O ATOM 272 CB LYS A 20 111.202 -1.621 28.008 1.00 1.99 C ATOM 273 CG LYS A 20 110.263 -0.502 27.488 1.00 1.81 C ATOM 274 CD LYS A 20 109.215 -1.088 26.530 1.00 1.74 C ATOM 275 CE LYS A 20 108.594 0.031 25.691 1.00 1.58 C ATOM 276 NZ LYS A 20 107.554 -0.542 24.790 1.00 1.94 N ATOM 0 H LYS A 20 112.581 0.502 27.689 1.00 2.02 H new ATOM 0 HA LYS A 20 113.180 -2.405 27.573 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.726 -2.593 27.882 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.381 -1.489 29.075 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.766 -0.015 28.327 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.847 0.263 26.976 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.679 -1.829 25.878 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.439 -1.603 27.096 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.151 0.785 26.342 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.365 0.530 25.103 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.726 -0.224 23.815 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 107.596 -1.580 24.828 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.614 -0.222 25.098 1.00 1.94 H new ATOM 290 N VAL A 21 111.949 -0.702 25.057 1.00 1.80 N ATOM 291 CA VAL A 21 111.662 -0.832 23.598 1.00 1.71 C ATOM 292 C VAL A 21 112.742 -1.683 22.924 1.00 1.76 C ATOM 293 O VAL A 21 113.885 -1.290 22.809 1.00 1.81 O ATOM 294 CB VAL A 21 111.594 0.564 22.955 1.00 1.64 C ATOM 295 CG1 VAL A 21 113.000 1.167 22.807 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.934 0.453 21.576 1.00 1.75 C ATOM 0 H VAL A 21 111.874 0.243 25.434 1.00 1.80 H new ATOM 0 HA VAL A 21 110.700 -1.327 23.463 1.00 1.71 H new ATOM 0 HB VAL A 21 111.006 1.218 23.599 1.00 1.64 H new ATOM 0 HG11 VAL A 21 112.926 2.154 22.350 1.00 2.07 H new ATOM 0 HG12 VAL A 21 113.463 1.256 23.790 1.00 2.07 H new ATOM 0 HG13 VAL A 21 113.609 0.520 22.176 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.884 1.440 21.116 1.00 1.75 H new ATOM 0 HG22 VAL A 21 111.522 -0.212 20.944 1.00 1.75 H new ATOM 0 HG23 VAL A 21 109.926 0.052 21.686 1.00 1.75 H new ATOM 306 N ARG A 22 112.375 -2.863 22.486 1.00 1.78 N ATOM 307 CA ARG A 22 113.352 -3.776 21.814 1.00 1.85 C ATOM 308 C ARG A 22 112.881 -4.038 20.382 1.00 1.74 C ATOM 309 O ARG A 22 111.769 -4.472 20.158 1.00 1.66 O ATOM 310 CB ARG A 22 113.409 -5.096 22.589 1.00 1.96 C ATOM 311 CG ARG A 22 114.233 -6.139 21.815 1.00 2.03 C ATOM 312 CD ARG A 22 115.601 -5.558 21.443 1.00 2.18 C ATOM 313 NE ARG A 22 116.552 -6.671 21.170 1.00 2.75 N ATOM 314 CZ ARG A 22 117.676 -6.430 20.553 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.965 -5.216 20.173 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.512 -7.404 20.316 1.00 3.33 N ATOM 0 H ARG A 22 111.429 -3.236 22.567 1.00 1.78 H new ATOM 0 HA ARG A 22 114.343 -3.322 21.794 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.852 -4.929 23.571 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.399 -5.471 22.755 1.00 1.96 H new ATOM 0 HG2 ARG A 22 114.363 -7.035 22.422 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.699 -6.439 20.913 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.510 -4.918 20.565 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.977 -4.934 22.254 1.00 2.18 H new ATOM 0 HE ARG A 22 116.325 -7.621 21.465 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.312 -4.455 20.358 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.844 -5.028 19.691 1.00 3.50 H new ATOM 0 HH21 ARG A 22 118.286 -8.353 20.613 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.391 -7.216 19.834 1.00 3.33 H new ATOM 330 N ALA A 23 113.722 -3.775 19.411 1.00 1.77 N ATOM 331 CA ALA A 23 113.340 -4.002 17.980 1.00 1.68 C ATOM 332 C ALA A 23 114.414 -4.851 17.300 1.00 1.77 C ATOM 333 O ALA A 23 115.553 -4.446 17.173 1.00 1.83 O ATOM 334 CB ALA A 23 113.231 -2.653 17.265 1.00 1.59 C ATOM 0 H ALA A 23 114.664 -3.410 19.549 1.00 1.77 H new ATOM 0 HA ALA A 23 112.381 -4.518 17.933 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.953 -2.815 16.223 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.471 -2.043 17.753 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.191 -2.139 17.309 1.00 1.59 H new ATOM 340 N GLY A 24 114.059 -6.030 16.863 1.00 1.80 N ATOM 341 CA GLY A 24 115.056 -6.917 16.190 1.00 1.90 C ATOM 342 C GLY A 24 114.347 -7.771 15.136 1.00 1.86 C ATOM 343 O GLY A 24 113.351 -8.411 15.411 1.00 1.86 O ATOM 0 H GLY A 24 113.119 -6.419 16.943 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.836 -6.316 15.723 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.544 -7.557 16.925 1.00 1.90 H new ATOM 347 N GLY A 25 114.846 -7.786 13.927 1.00 1.85 N ATOM 348 CA GLY A 25 114.187 -8.602 12.870 1.00 1.84 C ATOM 349 C GLY A 25 114.959 -8.479 11.554 1.00 1.84 C ATOM 350 O GLY A 25 115.835 -7.650 11.410 1.00 1.84 O ATOM 0 H GLY A 25 115.675 -7.272 13.630 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.144 -9.646 13.179 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.159 -8.269 12.730 1.00 1.84 H new ATOM 354 N THR A 26 114.636 -9.301 10.591 1.00 1.86 N ATOM 355 CA THR A 26 115.340 -9.240 9.284 1.00 1.87 C ATOM 356 C THR A 26 114.872 -8.012 8.501 1.00 1.75 C ATOM 357 O THR A 26 115.467 -7.633 7.511 1.00 1.76 O ATOM 358 CB THR A 26 115.034 -10.505 8.480 1.00 1.96 C ATOM 359 OG1 THR A 26 113.626 -10.661 8.365 1.00 2.31 O ATOM 360 CG2 THR A 26 115.627 -11.721 9.193 1.00 2.29 C ATOM 0 H THR A 26 113.910 -10.015 10.657 1.00 1.86 H new ATOM 0 HA THR A 26 116.414 -9.169 9.457 1.00 1.87 H new ATOM 0 HB THR A 26 115.474 -10.420 7.486 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.428 -11.470 7.849 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.408 -12.622 8.619 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.707 -11.600 9.281 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.189 -11.809 10.187 1.00 2.29 H new ATOM 368 N GLY A 27 113.819 -7.378 8.939 1.00 1.64 N ATOM 369 CA GLY A 27 113.332 -6.170 8.218 1.00 1.54 C ATOM 370 C GLY A 27 114.370 -5.068 8.381 1.00 1.50 C ATOM 371 O GLY A 27 114.392 -4.096 7.653 1.00 1.46 O ATOM 0 H GLY A 27 113.277 -7.643 9.762 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.178 -6.394 7.162 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.371 -5.849 8.620 1.00 1.54 H new ATOM 375 N LEU A 28 115.241 -5.231 9.336 1.00 1.57 N ATOM 376 CA LEU A 28 116.306 -4.222 9.575 1.00 1.59 C ATOM 377 C LEU A 28 117.524 -4.596 8.734 1.00 1.69 C ATOM 378 O LEU A 28 118.458 -3.832 8.590 1.00 1.83 O ATOM 379 CB LEU A 28 116.692 -4.245 11.055 1.00 1.65 C ATOM 380 CG LEU A 28 115.457 -3.975 11.928 1.00 1.58 C ATOM 381 CD1 LEU A 28 115.754 -4.389 13.370 1.00 1.66 C ATOM 382 CD2 LEU A 28 115.101 -2.482 11.897 1.00 1.61 C ATOM 0 H LEU A 28 115.259 -6.031 9.968 1.00 1.57 H new ATOM 0 HA LEU A 28 115.952 -3.227 9.304 1.00 1.59 H new ATOM 0 HB2 LEU A 28 117.123 -5.213 11.311 1.00 1.65 H new ATOM 0 HB3 LEU A 28 117.457 -3.493 11.251 1.00 1.65 H new ATOM 0 HG LEU A 28 114.617 -4.551 11.540 1.00 1.58 H new ATOM 0 HD11 LEU A 28 114.879 -4.198 13.991 1.00 1.66 H new ATOM 0 HD12 LEU A 28 115.996 -5.451 13.401 1.00 1.66 H new ATOM 0 HD13 LEU A 28 116.599 -3.813 13.747 1.00 1.66 H new ATOM 0 HD21 LEU A 28 114.224 -2.304 12.520 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.940 -1.900 12.277 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.885 -2.181 10.872 1.00 1.61 H new ATOM 394 N GLU A 29 117.518 -5.779 8.185 1.00 1.73 N ATOM 395 CA GLU A 29 118.668 -6.234 7.358 1.00 1.84 C ATOM 396 C GLU A 29 118.532 -5.689 5.933 1.00 1.75 C ATOM 397 O GLU A 29 119.379 -4.959 5.459 1.00 1.78 O ATOM 398 CB GLU A 29 118.687 -7.762 7.337 1.00 2.00 C ATOM 399 CG GLU A 29 118.861 -8.283 8.769 1.00 2.06 C ATOM 400 CD GLU A 29 120.324 -8.136 9.196 1.00 1.98 C ATOM 401 OE1 GLU A 29 121.137 -8.919 8.732 1.00 2.34 O ATOM 402 OE2 GLU A 29 120.605 -7.244 9.979 1.00 2.21 O ATOM 0 H GLU A 29 116.759 -6.454 8.275 1.00 1.73 H new ATOM 0 HA GLU A 29 119.600 -5.863 7.784 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.760 -8.143 6.908 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.501 -8.119 6.706 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.216 -7.728 9.450 1.00 2.06 H new ATOM 0 HG3 GLU A 29 118.559 -9.329 8.825 1.00 2.06 H new ATOM 409 N ARG A 30 117.474 -6.032 5.243 1.00 1.69 N ATOM 410 CA ARG A 30 117.301 -5.521 3.850 1.00 1.64 C ATOM 411 C ARG A 30 115.919 -5.911 3.317 1.00 1.59 C ATOM 412 O ARG A 30 115.146 -6.568 3.986 1.00 1.61 O ATOM 413 CB ARG A 30 118.379 -6.127 2.947 1.00 1.75 C ATOM 414 CG ARG A 30 118.345 -7.653 3.061 1.00 2.21 C ATOM 415 CD ARG A 30 119.401 -8.260 2.134 1.00 2.47 C ATOM 416 NE ARG A 30 119.132 -9.715 1.960 1.00 2.96 N ATOM 417 CZ ARG A 30 119.711 -10.376 0.995 1.00 3.36 C ATOM 418 NH1 ARG A 30 120.525 -9.761 0.180 1.00 3.77 N ATOM 419 NH2 ARG A 30 119.475 -11.650 0.843 1.00 3.76 N ATOM 0 H ARG A 30 116.728 -6.639 5.581 1.00 1.69 H new ATOM 0 HA ARG A 30 117.391 -4.435 3.856 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.213 -5.826 1.913 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.361 -5.752 3.234 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.534 -7.955 4.091 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.356 -8.026 2.796 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.383 -7.758 1.167 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.396 -8.111 2.552 1.00 2.47 H new ATOM 0 HE ARG A 30 118.495 -10.195 2.596 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.708 -8.764 0.298 1.00 3.77 H new ATOM 0 HH12 ARG A 30 120.978 -10.277 -0.574 1.00 3.77 H new ATOM 0 HH21 ARG A 30 118.838 -12.130 1.478 1.00 3.76 H new ATOM 0 HH22 ARG A 30 119.928 -12.166 0.089 1.00 3.76 H new ATOM 433 N GLY A 31 115.605 -5.512 2.109 1.00 1.54 N ATOM 434 CA GLY A 31 114.282 -5.854 1.515 1.00 1.52 C ATOM 435 C GLY A 31 114.451 -5.987 0.003 1.00 1.55 C ATOM 436 O GLY A 31 115.529 -5.789 -0.521 1.00 1.57 O ATOM 0 H GLY A 31 116.216 -4.960 1.507 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.906 -6.786 1.938 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.550 -5.080 1.748 1.00 1.52 H new ATOM 440 N VAL A 32 113.403 -6.326 -0.707 1.00 1.56 N ATOM 441 CA VAL A 32 113.512 -6.474 -2.195 1.00 1.60 C ATOM 442 C VAL A 32 112.324 -5.784 -2.884 1.00 1.53 C ATOM 443 O VAL A 32 111.234 -5.708 -2.353 1.00 1.50 O ATOM 444 CB VAL A 32 113.552 -7.970 -2.534 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.281 -8.193 -4.027 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.931 -8.537 -2.181 1.00 1.83 C ATOM 0 H VAL A 32 112.476 -6.507 -0.322 1.00 1.56 H new ATOM 0 HA VAL A 32 114.424 -5.998 -2.555 1.00 1.60 H new ATOM 0 HB VAL A 32 112.780 -8.479 -1.956 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.314 -9.260 -4.247 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.296 -7.800 -4.281 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.040 -7.678 -4.616 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.960 -9.600 -2.422 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.697 -8.014 -2.754 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.119 -8.401 -1.116 1.00 1.83 H new ATOM 456 N ALA A 33 112.553 -5.268 -4.062 1.00 1.51 N ATOM 457 CA ALA A 33 111.482 -4.555 -4.823 1.00 1.46 C ATOM 458 C ALA A 33 110.122 -5.272 -4.733 1.00 1.53 C ATOM 459 O ALA A 33 109.932 -6.345 -5.270 1.00 1.64 O ATOM 460 CB ALA A 33 111.914 -4.459 -6.300 1.00 1.51 C ATOM 0 H ALA A 33 113.454 -5.311 -4.539 1.00 1.51 H new ATOM 0 HA ALA A 33 111.354 -3.565 -4.384 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.144 -3.941 -6.871 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.851 -3.906 -6.370 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.053 -5.462 -6.704 1.00 1.51 H new ATOM 466 N GLY A 34 109.170 -4.645 -4.102 1.00 1.46 N ATOM 467 CA GLY A 34 107.797 -5.223 -4.013 1.00 1.52 C ATOM 468 C GLY A 34 107.801 -6.581 -3.318 1.00 1.62 C ATOM 469 O GLY A 34 107.172 -7.514 -3.778 1.00 1.73 O ATOM 0 H GLY A 34 109.285 -3.744 -3.637 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.148 -4.537 -3.468 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.381 -5.328 -5.015 1.00 1.52 H new ATOM 473 N VAL A 35 108.481 -6.699 -2.206 1.00 1.59 N ATOM 474 CA VAL A 35 108.506 -7.998 -1.458 1.00 1.69 C ATOM 475 C VAL A 35 108.104 -7.713 0.011 1.00 1.61 C ATOM 476 O VAL A 35 108.706 -6.857 0.629 1.00 1.55 O ATOM 477 CB VAL A 35 109.929 -8.582 -1.529 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.138 -9.633 -0.432 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.130 -9.244 -2.899 1.00 2.19 C ATOM 0 H VAL A 35 109.024 -5.948 -1.780 1.00 1.59 H new ATOM 0 HA VAL A 35 107.811 -8.718 -1.890 1.00 1.69 H new ATOM 0 HB VAL A 35 110.648 -7.775 -1.385 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.150 -10.033 -0.500 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.995 -9.172 0.545 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.419 -10.442 -0.561 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.136 -9.660 -2.958 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.399 -10.042 -3.028 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.999 -8.500 -3.685 1.00 2.19 H new ATOM 489 N PRO A 36 107.102 -8.403 0.552 1.00 1.67 N ATOM 490 CA PRO A 36 106.683 -8.148 1.944 1.00 1.61 C ATOM 491 C PRO A 36 107.877 -8.291 2.898 1.00 1.61 C ATOM 492 O PRO A 36 108.496 -9.333 2.983 1.00 1.74 O ATOM 493 CB PRO A 36 105.588 -9.202 2.241 1.00 1.76 C ATOM 494 CG PRO A 36 105.341 -10.000 0.929 1.00 1.96 C ATOM 495 CD PRO A 36 106.323 -9.462 -0.137 1.00 1.85 C ATOM 0 HA PRO A 36 106.304 -7.136 2.083 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.905 -9.870 3.042 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.670 -8.718 2.574 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.500 -11.066 1.093 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.310 -9.879 0.596 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.975 -10.253 -0.507 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.789 -9.061 -0.998 1.00 1.85 H new ATOM 503 N ALA A 37 108.188 -7.245 3.625 1.00 1.53 N ATOM 504 CA ALA A 37 109.328 -7.291 4.597 1.00 1.62 C ATOM 505 C ALA A 37 108.777 -7.012 5.993 1.00 1.53 C ATOM 506 O ALA A 37 107.780 -6.335 6.144 1.00 1.52 O ATOM 507 CB ALA A 37 110.356 -6.217 4.230 1.00 1.69 C ATOM 0 H ALA A 37 107.696 -6.352 3.587 1.00 1.53 H new ATOM 0 HA ALA A 37 109.809 -8.269 4.569 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.185 -6.250 4.937 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.730 -6.401 3.223 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.885 -5.235 4.269 1.00 1.69 H new ATOM 513 N GLU A 38 109.396 -7.528 7.022 1.00 1.50 N ATOM 514 CA GLU A 38 108.859 -7.272 8.388 1.00 1.45 C ATOM 515 C GLU A 38 109.919 -7.510 9.453 1.00 1.50 C ATOM 516 O GLU A 38 110.940 -8.129 9.224 1.00 1.60 O ATOM 517 CB GLU A 38 107.668 -8.212 8.657 1.00 1.54 C ATOM 518 CG GLU A 38 108.164 -9.634 8.966 1.00 1.68 C ATOM 519 CD GLU A 38 107.028 -10.639 8.752 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.011 -10.502 9.411 1.00 2.12 O ATOM 521 OE2 GLU A 38 107.196 -11.527 7.933 1.00 2.23 O ATOM 0 H GLU A 38 110.236 -8.106 6.977 1.00 1.50 H new ATOM 0 HA GLU A 38 108.543 -6.230 8.435 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.081 -7.835 9.495 1.00 1.54 H new ATOM 0 HB3 GLU A 38 107.009 -8.231 7.789 1.00 1.54 H new ATOM 0 HG2 GLU A 38 109.008 -9.883 8.322 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.521 -9.689 9.994 1.00 1.68 H new ATOM 528 N PHE A 39 109.639 -7.051 10.639 1.00 1.46 N ATOM 529 CA PHE A 39 110.561 -7.266 11.778 1.00 1.54 C ATOM 530 C PHE A 39 109.702 -7.562 12.997 1.00 1.53 C ATOM 531 O PHE A 39 108.489 -7.634 12.904 1.00 1.50 O ATOM 532 CB PHE A 39 111.438 -6.031 12.034 1.00 1.54 C ATOM 533 CG PHE A 39 110.641 -4.762 11.844 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.257 -4.373 10.561 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.307 -3.965 12.947 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.536 -3.189 10.372 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.587 -2.778 12.759 1.00 1.37 C ATOM 538 CZ PHE A 39 109.202 -2.390 11.470 1.00 1.30 C ATOM 0 H PHE A 39 108.794 -6.527 10.867 1.00 1.46 H new ATOM 0 HA PHE A 39 111.237 -8.093 11.559 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.838 -6.067 13.047 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.290 -6.037 11.354 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.517 -4.987 9.711 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.604 -4.265 13.941 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.237 -2.892 9.378 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.329 -2.162 13.608 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.648 -1.475 11.324 1.00 1.30 H new ATOM 548 N SER A 40 110.311 -7.747 14.128 1.00 1.60 N ATOM 549 CA SER A 40 109.534 -8.061 15.367 1.00 1.61 C ATOM 550 C SER A 40 109.934 -7.108 16.493 1.00 1.59 C ATOM 551 O SER A 40 111.100 -6.865 16.733 1.00 1.64 O ATOM 552 CB SER A 40 109.836 -9.498 15.794 1.00 1.73 C ATOM 553 OG SER A 40 109.641 -10.367 14.687 1.00 2.37 O ATOM 0 H SER A 40 111.322 -7.695 14.256 1.00 1.60 H new ATOM 0 HA SER A 40 108.470 -7.945 15.163 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.862 -9.574 16.155 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.185 -9.789 16.619 1.00 1.73 H new ATOM 0 HG SER A 40 109.835 -11.289 14.957 1.00 2.37 H new ATOM 559 N ILE A 41 108.963 -6.583 17.195 1.00 1.54 N ATOM 560 CA ILE A 41 109.241 -5.653 18.332 1.00 1.54 C ATOM 561 C ILE A 41 108.556 -6.220 19.573 1.00 1.60 C ATOM 562 O ILE A 41 107.504 -6.818 19.482 1.00 1.65 O ATOM 563 CB ILE A 41 108.663 -4.270 18.009 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.507 -3.607 16.915 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.685 -3.392 19.266 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.793 -2.356 16.392 1.00 1.34 C ATOM 0 H ILE A 41 107.973 -6.762 17.026 1.00 1.54 H new ATOM 0 HA ILE A 41 110.314 -5.556 18.500 1.00 1.54 H new ATOM 0 HB ILE A 41 107.635 -4.383 17.664 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.486 -3.339 17.311 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.675 -4.309 16.098 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.273 -2.410 19.031 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.086 -3.860 20.047 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.712 -3.281 19.614 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.398 -1.890 15.615 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.824 -2.636 15.978 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.648 -1.651 17.211 1.00 1.34 H new ATOM 578 N TRP A 42 109.129 -6.054 20.733 1.00 1.65 N ATOM 579 CA TRP A 42 108.474 -6.610 21.953 1.00 1.71 C ATOM 580 C TRP A 42 108.906 -5.826 23.197 1.00 1.77 C ATOM 581 O TRP A 42 109.635 -4.854 23.116 1.00 1.78 O ATOM 582 CB TRP A 42 108.844 -8.101 22.093 1.00 1.88 C ATOM 583 CG TRP A 42 110.179 -8.265 22.758 1.00 2.08 C ATOM 584 CD1 TRP A 42 111.377 -8.210 22.132 1.00 2.66 C ATOM 585 CD2 TRP A 42 110.463 -8.512 24.165 1.00 2.36 C ATOM 586 NE1 TRP A 42 112.378 -8.407 23.067 1.00 2.89 N ATOM 587 CE2 TRP A 42 111.864 -8.596 24.334 1.00 2.64 C ATOM 588 CE3 TRP A 42 109.647 -8.667 25.300 1.00 3.00 C ATOM 589 CZ2 TRP A 42 112.437 -8.828 25.586 1.00 3.08 C ATOM 590 CZ3 TRP A 42 110.219 -8.901 26.561 1.00 3.68 C ATOM 591 CH2 TRP A 42 111.612 -8.980 26.703 1.00 3.56 C ATOM 0 H TRP A 42 110.010 -5.565 20.890 1.00 1.65 H new ATOM 0 HA TRP A 42 107.392 -6.517 21.857 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.079 -8.616 22.674 1.00 1.88 H new ATOM 0 HB3 TRP A 42 108.865 -8.568 21.108 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.527 -8.040 21.076 1.00 2.66 H new ATOM 0 HE1 TRP A 42 113.374 -8.412 22.847 1.00 2.89 H new ATOM 0 HE3 TRP A 42 108.573 -8.606 25.201 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 113.510 -8.889 25.690 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 109.583 -9.021 27.426 1.00 3.68 H new ATOM 0 HH2 TRP A 42 112.047 -9.158 27.675 1.00 3.56 H new ATOM 602 N THR A 43 108.445 -6.257 24.343 1.00 1.91 N ATOM 603 CA THR A 43 108.792 -5.576 25.628 1.00 2.07 C ATOM 604 C THR A 43 107.879 -4.359 25.821 1.00 1.92 C ATOM 605 O THR A 43 107.986 -3.371 25.121 1.00 2.17 O ATOM 606 CB THR A 43 110.275 -5.140 25.615 1.00 2.42 C ATOM 607 OG1 THR A 43 111.012 -6.021 24.780 1.00 2.72 O ATOM 608 CG2 THR A 43 110.855 -5.185 27.035 1.00 2.89 C ATOM 0 H THR A 43 107.832 -7.066 24.445 1.00 1.91 H new ATOM 0 HA THR A 43 108.645 -6.269 26.457 1.00 2.07 H new ATOM 0 HB THR A 43 110.343 -4.120 25.237 1.00 2.42 H new ATOM 0 HG1 THR A 43 110.972 -6.929 25.146 1.00 2.72 H new ATOM 0 HG21 THR A 43 111.900 -4.876 27.011 1.00 2.89 H new ATOM 0 HG22 THR A 43 110.291 -4.511 27.680 1.00 2.89 H new ATOM 0 HG23 THR A 43 110.786 -6.201 27.424 1.00 2.89 H new ATOM 616 N ARG A 44 106.978 -4.432 26.769 1.00 1.96 N ATOM 617 CA ARG A 44 106.038 -3.295 27.032 1.00 1.92 C ATOM 618 C ARG A 44 106.013 -3.007 28.536 1.00 1.92 C ATOM 619 O ARG A 44 104.975 -3.043 29.167 1.00 2.18 O ATOM 620 CB ARG A 44 104.631 -3.682 26.562 1.00 2.09 C ATOM 621 CG ARG A 44 104.329 -5.130 26.977 1.00 2.62 C ATOM 622 CD ARG A 44 102.874 -5.505 26.613 1.00 3.00 C ATOM 623 NE ARG A 44 102.234 -6.241 27.751 1.00 3.63 N ATOM 624 CZ ARG A 44 102.851 -7.219 28.364 1.00 4.14 C ATOM 625 NH1 ARG A 44 104.001 -7.653 27.928 1.00 4.51 N ATOM 626 NH2 ARG A 44 102.297 -7.787 29.400 1.00 4.63 N ATOM 0 H ARG A 44 106.851 -5.239 27.379 1.00 1.96 H new ATOM 0 HA ARG A 44 106.369 -2.407 26.493 1.00 1.92 H new ATOM 0 HB2 ARG A 44 103.893 -3.007 26.996 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.558 -3.581 25.479 1.00 2.09 H new ATOM 0 HG2 ARG A 44 105.021 -5.809 26.479 1.00 2.62 H new ATOM 0 HG3 ARG A 44 104.484 -5.247 28.050 1.00 2.62 H new ATOM 0 HD2 ARG A 44 102.304 -4.604 26.385 1.00 3.00 H new ATOM 0 HD3 ARG A 44 102.863 -6.125 25.716 1.00 3.00 H new ATOM 0 HE ARG A 44 101.297 -5.974 28.054 1.00 3.63 H new ATOM 0 HH11 ARG A 44 104.426 -7.230 27.103 1.00 4.51 H new ATOM 0 HH12 ARG A 44 104.475 -8.416 28.412 1.00 4.51 H new ATOM 0 HH21 ARG A 44 101.386 -7.469 29.730 1.00 4.63 H new ATOM 0 HH22 ARG A 44 102.775 -8.549 29.880 1.00 4.63 H new ATOM 640 N GLU A 45 107.151 -2.730 29.117 1.00 1.87 N ATOM 641 CA GLU A 45 107.201 -2.448 30.584 1.00 1.94 C ATOM 642 C GLU A 45 107.019 -0.948 30.835 1.00 1.84 C ATOM 643 O GLU A 45 106.739 -0.527 31.940 1.00 1.87 O ATOM 644 CB GLU A 45 108.557 -2.896 31.139 1.00 2.09 C ATOM 645 CG GLU A 45 108.487 -2.976 32.666 1.00 2.37 C ATOM 646 CD GLU A 45 109.865 -3.337 33.223 1.00 2.40 C ATOM 647 OE1 GLU A 45 110.218 -4.504 33.167 1.00 2.73 O ATOM 648 OE2 GLU A 45 110.544 -2.441 33.696 1.00 2.89 O ATOM 0 H GLU A 45 108.051 -2.687 28.638 1.00 1.87 H new ATOM 0 HA GLU A 45 106.399 -2.993 31.082 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.827 -3.868 30.726 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.334 -2.194 30.837 1.00 2.09 H new ATOM 0 HG2 GLU A 45 108.156 -2.022 33.076 1.00 2.37 H new ATOM 0 HG3 GLU A 45 107.754 -3.724 32.968 1.00 2.37 H new ATOM 655 N ALA A 46 107.172 -0.136 29.824 1.00 1.74 N ATOM 656 CA ALA A 46 107.003 1.330 30.021 1.00 1.71 C ATOM 657 C ALA A 46 105.546 1.625 30.363 1.00 1.64 C ATOM 658 O ALA A 46 105.225 2.039 31.460 1.00 1.71 O ATOM 659 CB ALA A 46 107.377 2.068 28.735 1.00 1.66 C ATOM 0 H ALA A 46 107.406 -0.424 28.874 1.00 1.74 H new ATOM 0 HA ALA A 46 107.650 1.664 30.832 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.252 3.141 28.882 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.415 1.855 28.482 1.00 1.66 H new ATOM 0 HB3 ALA A 46 106.730 1.735 27.923 1.00 1.66 H new ATOM 665 N GLY A 47 104.658 1.409 29.427 1.00 1.60 N ATOM 666 CA GLY A 47 103.207 1.668 29.680 1.00 1.58 C ATOM 667 C GLY A 47 102.584 2.343 28.458 1.00 1.42 C ATOM 668 O GLY A 47 103.134 2.320 27.375 1.00 1.37 O ATOM 0 H GLY A 47 104.876 1.062 28.493 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.692 0.731 29.892 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.089 2.303 30.558 1.00 1.58 H new ATOM 672 N ALA A 48 101.437 2.944 28.623 1.00 1.40 N ATOM 673 CA ALA A 48 100.778 3.620 27.472 1.00 1.27 C ATOM 674 C ALA A 48 101.756 4.610 26.839 1.00 1.21 C ATOM 675 O ALA A 48 102.580 5.198 27.510 1.00 1.37 O ATOM 676 CB ALA A 48 99.537 4.370 27.962 1.00 1.32 C ATOM 0 H ALA A 48 100.929 2.995 29.506 1.00 1.40 H new ATOM 0 HA ALA A 48 100.482 2.876 26.732 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.055 4.865 27.119 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.841 3.664 28.415 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.831 5.116 28.701 1.00 1.32 H new ATOM 682 N GLY A 49 101.673 4.800 25.552 1.00 1.04 N ATOM 683 CA GLY A 49 102.600 5.752 24.879 1.00 1.02 C ATOM 684 C GLY A 49 102.188 5.919 23.416 1.00 0.87 C ATOM 685 O GLY A 49 101.129 5.484 23.008 1.00 0.71 O ATOM 0 H GLY A 49 101.004 4.337 24.937 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.578 6.717 25.386 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.624 5.383 24.939 1.00 1.02 H new ATOM 689 N GLY A 50 103.020 6.545 22.621 1.00 0.98 N ATOM 690 CA GLY A 50 102.688 6.744 21.176 1.00 0.86 C ATOM 691 C GLY A 50 103.932 6.470 20.335 1.00 0.86 C ATOM 692 O GLY A 50 104.912 7.185 20.410 1.00 1.06 O ATOM 0 H GLY A 50 103.919 6.929 22.912 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.880 6.075 20.880 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.337 7.762 21.008 1.00 0.86 H new ATOM 696 N LEU A 51 103.903 5.442 19.529 1.00 0.74 N ATOM 697 CA LEU A 51 105.087 5.126 18.678 1.00 0.75 C ATOM 698 C LEU A 51 104.897 5.785 17.318 1.00 0.68 C ATOM 699 O LEU A 51 104.230 5.249 16.465 1.00 0.60 O ATOM 700 CB LEU A 51 105.197 3.605 18.502 1.00 0.74 C ATOM 701 CG LEU A 51 106.523 3.241 17.798 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.663 3.155 18.821 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.382 1.882 17.102 1.00 0.77 C ATOM 0 H LEU A 51 103.111 4.808 19.423 1.00 0.74 H new ATOM 0 HA LEU A 51 105.997 5.498 19.148 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.147 3.115 19.474 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.354 3.238 17.917 1.00 0.74 H new ATOM 0 HG LEU A 51 106.750 4.015 17.065 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.591 2.898 18.311 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.778 4.117 19.320 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.431 2.389 19.561 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.319 1.628 16.606 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.144 1.117 17.842 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.583 1.933 16.363 1.00 0.77 H new ATOM 715 N SER A 52 105.485 6.938 17.114 1.00 0.75 N ATOM 716 CA SER A 52 105.345 7.642 15.804 1.00 0.71 C ATOM 717 C SER A 52 106.377 7.071 14.835 1.00 0.70 C ATOM 718 O SER A 52 107.480 6.767 15.235 1.00 0.78 O ATOM 719 CB SER A 52 105.599 9.137 16.000 1.00 0.82 C ATOM 720 OG SER A 52 104.922 9.579 17.169 1.00 1.56 O ATOM 0 H SER A 52 106.059 7.424 17.803 1.00 0.75 H new ATOM 0 HA SER A 52 104.340 7.500 15.406 1.00 0.71 H new ATOM 0 HB2 SER A 52 106.668 9.327 16.091 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.249 9.694 15.131 1.00 0.82 H new ATOM 0 HG SER A 52 105.084 10.537 17.299 1.00 1.56 H new ATOM 726 N ILE A 53 106.044 6.912 13.568 1.00 0.61 N ATOM 727 CA ILE A 53 107.036 6.348 12.602 1.00 0.61 C ATOM 728 C ILE A 53 107.051 7.193 11.327 1.00 0.57 C ATOM 729 O ILE A 53 106.041 7.365 10.674 1.00 0.65 O ATOM 730 CB ILE A 53 106.647 4.912 12.238 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.499 4.073 13.513 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.727 4.298 11.342 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.842 2.734 13.169 1.00 0.64 C ATOM 0 H ILE A 53 105.135 7.148 13.170 1.00 0.61 H new ATOM 0 HA ILE A 53 108.023 6.357 13.064 1.00 0.61 H new ATOM 0 HB ILE A 53 105.697 4.923 11.705 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.476 3.905 13.966 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.896 4.609 14.246 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.448 3.276 11.084 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.823 4.889 10.431 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.679 4.291 11.872 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.737 2.137 14.075 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.858 2.912 12.735 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.463 2.198 12.451 1.00 0.64 H new ATOM 745 N ALA A 54 108.199 7.708 10.963 1.00 0.60 N ATOM 746 CA ALA A 54 108.317 8.535 9.721 1.00 0.57 C ATOM 747 C ALA A 54 109.240 7.807 8.745 1.00 0.54 C ATOM 748 O ALA A 54 110.424 7.671 8.989 1.00 0.63 O ATOM 749 CB ALA A 54 108.919 9.897 10.071 1.00 0.69 C ATOM 0 H ALA A 54 109.070 7.589 11.480 1.00 0.60 H new ATOM 0 HA ALA A 54 107.335 8.683 9.272 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.005 10.500 9.167 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.274 10.407 10.787 1.00 0.69 H new ATOM 0 HB3 ALA A 54 109.907 9.756 10.509 1.00 0.69 H new ATOM 755 N VAL A 55 108.707 7.322 7.649 1.00 0.45 N ATOM 756 CA VAL A 55 109.554 6.583 6.658 1.00 0.47 C ATOM 757 C VAL A 55 109.864 7.481 5.461 1.00 0.41 C ATOM 758 O VAL A 55 109.069 8.318 5.074 1.00 0.39 O ATOM 759 CB VAL A 55 108.803 5.329 6.159 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.806 4.227 5.793 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.872 4.816 7.260 1.00 0.79 C ATOM 0 H VAL A 55 107.722 7.406 7.397 1.00 0.45 H new ATOM 0 HA VAL A 55 110.483 6.289 7.145 1.00 0.47 H new ATOM 0 HB VAL A 55 108.220 5.594 5.277 1.00 0.47 H new ATOM 0 HG11 VAL A 55 109.267 3.347 5.442 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.468 4.585 5.005 1.00 0.91 H new ATOM 0 HG13 VAL A 55 110.396 3.965 6.672 1.00 0.91 H new ATOM 0 HG21 VAL A 55 107.343 3.931 6.906 1.00 0.79 H new ATOM 0 HG22 VAL A 55 108.459 4.559 8.142 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.150 5.592 7.517 1.00 0.79 H new ATOM 771 N GLU A 56 111.004 7.289 4.851 1.00 0.44 N ATOM 772 CA GLU A 56 111.364 8.095 3.655 1.00 0.40 C ATOM 773 C GLU A 56 112.058 7.183 2.650 1.00 0.43 C ATOM 774 O GLU A 56 112.868 6.348 2.999 1.00 0.52 O ATOM 775 CB GLU A 56 112.284 9.253 4.054 1.00 0.47 C ATOM 776 CG GLU A 56 112.604 10.109 2.823 1.00 0.49 C ATOM 777 CD GLU A 56 111.360 10.897 2.409 1.00 1.08 C ATOM 778 OE1 GLU A 56 110.465 11.025 3.228 1.00 1.71 O ATOM 779 OE2 GLU A 56 111.323 11.359 1.281 1.00 1.80 O ATOM 0 H GLU A 56 111.704 6.603 5.135 1.00 0.44 H new ATOM 0 HA GLU A 56 110.466 8.520 3.207 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.804 9.864 4.819 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.205 8.865 4.488 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.423 10.793 3.046 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.934 9.473 2.001 1.00 0.49 H new ATOM 786 N GLY A 57 111.732 7.335 1.402 1.00 0.41 N ATOM 787 CA GLY A 57 112.353 6.482 0.354 1.00 0.49 C ATOM 788 C GLY A 57 111.680 6.784 -0.988 1.00 0.45 C ATOM 789 O GLY A 57 110.831 7.645 -1.054 1.00 0.44 O ATOM 0 H GLY A 57 111.057 8.018 1.058 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.423 6.678 0.292 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.236 5.428 0.607 1.00 0.49 H new ATOM 793 N PRO A 58 112.076 6.077 -2.021 1.00 0.50 N ATOM 794 CA PRO A 58 111.501 6.276 -3.367 1.00 0.52 C ATOM 795 C PRO A 58 110.013 5.952 -3.377 1.00 0.54 C ATOM 796 O PRO A 58 109.284 6.352 -4.264 1.00 0.56 O ATOM 797 CB PRO A 58 112.273 5.307 -4.275 1.00 0.63 C ATOM 798 CG PRO A 58 113.325 4.568 -3.396 1.00 0.66 C ATOM 799 CD PRO A 58 113.127 5.041 -1.940 1.00 0.60 C ATOM 0 HA PRO A 58 111.591 7.310 -3.699 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.592 4.593 -4.738 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.764 5.849 -5.083 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.195 3.488 -3.469 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.336 4.792 -3.738 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.822 4.217 -1.294 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.051 5.446 -1.526 1.00 0.60 H new ATOM 807 N SER A 59 109.557 5.233 -2.405 1.00 0.56 N ATOM 808 CA SER A 59 108.102 4.882 -2.364 1.00 0.60 C ATOM 809 C SER A 59 107.631 4.728 -0.917 1.00 0.55 C ATOM 810 O SER A 59 108.419 4.643 0.003 1.00 0.55 O ATOM 811 CB SER A 59 107.877 3.568 -3.122 1.00 0.71 C ATOM 812 OG SER A 59 107.839 2.488 -2.198 1.00 1.55 O ATOM 0 H SER A 59 110.117 4.869 -1.634 1.00 0.56 H new ATOM 0 HA SER A 59 107.530 5.682 -2.834 1.00 0.60 H new ATOM 0 HB2 SER A 59 106.943 3.614 -3.682 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.676 3.412 -3.847 1.00 0.71 H new ATOM 0 HG SER A 59 108.732 2.349 -1.820 1.00 1.55 H new ATOM 818 N LYS A 60 106.339 4.695 -0.718 1.00 0.59 N ATOM 819 CA LYS A 60 105.785 4.549 0.658 1.00 0.57 C ATOM 820 C LYS A 60 105.611 3.063 0.984 1.00 0.63 C ATOM 821 O LYS A 60 104.968 2.330 0.260 1.00 0.73 O ATOM 822 CB LYS A 60 104.424 5.257 0.731 1.00 0.63 C ATOM 823 CG LYS A 60 104.468 6.538 -0.105 1.00 1.23 C ATOM 824 CD LYS A 60 103.164 7.317 0.086 1.00 1.29 C ATOM 825 CE LYS A 60 103.140 8.519 -0.862 1.00 1.87 C ATOM 826 NZ LYS A 60 101.753 9.057 -0.944 1.00 2.53 N ATOM 0 H LYS A 60 105.639 4.764 -1.457 1.00 0.59 H new ATOM 0 HA LYS A 60 106.469 4.997 1.379 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.639 4.597 0.363 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.181 5.494 1.767 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.318 7.151 0.195 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.607 6.293 -1.158 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.310 6.669 -0.110 1.00 1.29 H new ATOM 0 HD3 LYS A 60 103.078 7.654 1.119 1.00 1.29 H new ATOM 0 HE2 LYS A 60 103.821 9.292 -0.505 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.486 8.222 -1.852 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.735 9.874 -1.588 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.115 8.319 -1.304 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 101.440 9.355 0.002 1.00 2.53 H new ATOM 840 N ALA A 61 106.175 2.616 2.071 1.00 0.66 N ATOM 841 CA ALA A 61 106.037 1.179 2.445 1.00 0.76 C ATOM 842 C ALA A 61 104.690 0.964 3.145 1.00 0.77 C ATOM 843 O ALA A 61 104.232 1.802 3.895 1.00 0.78 O ATOM 844 CB ALA A 61 107.176 0.786 3.389 1.00 0.82 C ATOM 0 H ALA A 61 106.725 3.182 2.717 1.00 0.66 H new ATOM 0 HA ALA A 61 106.083 0.561 1.548 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.076 -0.264 3.663 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.132 0.941 2.890 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.132 1.401 4.288 1.00 0.82 H new ATOM 850 N GLU A 62 104.051 -0.150 2.902 1.00 0.88 N ATOM 851 CA GLU A 62 102.732 -0.413 3.552 1.00 0.93 C ATOM 852 C GLU A 62 102.950 -1.055 4.924 1.00 0.96 C ATOM 853 O GLU A 62 103.015 -2.261 5.050 1.00 1.43 O ATOM 854 CB GLU A 62 101.912 -1.361 2.673 1.00 1.11 C ATOM 855 CG GLU A 62 100.473 -1.419 3.190 1.00 1.50 C ATOM 856 CD GLU A 62 99.770 -0.093 2.895 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.502 0.166 1.733 1.00 2.14 O ATOM 858 OE2 GLU A 62 99.511 0.640 3.835 1.00 2.30 O ATOM 0 H GLU A 62 104.384 -0.889 2.283 1.00 0.88 H new ATOM 0 HA GLU A 62 102.197 0.529 3.675 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.925 -1.017 1.639 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.354 -2.357 2.683 1.00 1.11 H new ATOM 0 HG2 GLU A 62 99.937 -2.240 2.714 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.468 -1.614 4.262 1.00 1.50 H new ATOM 865 N ILE A 63 103.055 -0.252 5.952 1.00 0.97 N ATOM 866 CA ILE A 63 103.264 -0.800 7.328 1.00 0.94 C ATOM 867 C ILE A 63 102.105 -1.738 7.676 1.00 1.01 C ATOM 868 O ILE A 63 101.023 -1.617 7.137 1.00 1.06 O ATOM 869 CB ILE A 63 103.302 0.358 8.342 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.071 1.548 7.756 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.987 -0.101 9.630 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.422 1.090 7.209 1.00 1.40 C ATOM 0 H ILE A 63 103.005 0.765 5.898 1.00 0.97 H new ATOM 0 HA ILE A 63 104.206 -1.347 7.365 1.00 0.94 H new ATOM 0 HB ILE A 63 102.279 0.663 8.562 1.00 0.89 H new ATOM 0 HG12 ILE A 63 103.487 2.011 6.960 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.221 2.307 8.524 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.011 0.723 10.343 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.433 -0.936 10.059 1.00 1.28 H new ATOM 0 HG23 ILE A 63 105.006 -0.417 9.407 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.956 1.946 6.796 1.00 1.40 H new ATOM 0 HD12 ILE A 63 106.010 0.649 8.014 1.00 1.40 H new ATOM 0 HD13 ILE A 63 105.265 0.348 6.426 1.00 1.40 H new ATOM 884 N ALA A 64 102.307 -2.672 8.576 1.00 1.04 N ATOM 885 CA ALA A 64 101.191 -3.593 8.940 1.00 1.13 C ATOM 886 C ALA A 64 101.346 -4.033 10.402 1.00 1.14 C ATOM 887 O ALA A 64 102.279 -4.724 10.755 1.00 1.36 O ATOM 888 CB ALA A 64 101.212 -4.818 7.999 1.00 1.26 C ATOM 0 H ALA A 64 103.186 -2.833 9.067 1.00 1.04 H new ATOM 0 HA ALA A 64 100.235 -3.081 8.830 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.398 -5.493 8.262 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.090 -4.487 6.968 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.163 -5.340 8.102 1.00 1.26 H new ATOM 894 N PHE A 65 100.430 -3.647 11.252 1.00 1.16 N ATOM 895 CA PHE A 65 100.518 -4.052 12.686 1.00 1.16 C ATOM 896 C PHE A 65 99.803 -5.391 12.871 1.00 1.28 C ATOM 897 O PHE A 65 98.620 -5.509 12.619 1.00 1.35 O ATOM 898 CB PHE A 65 99.846 -2.989 13.559 1.00 1.11 C ATOM 899 CG PHE A 65 98.510 -2.616 12.962 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.435 -1.616 11.986 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.347 -3.271 13.385 1.00 1.30 C ATOM 902 CE1 PHE A 65 97.197 -1.270 11.432 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.108 -2.924 12.831 1.00 1.43 C ATOM 904 CZ PHE A 65 96.033 -1.924 11.855 1.00 1.47 C ATOM 0 H PHE A 65 99.624 -3.068 11.014 1.00 1.16 H new ATOM 0 HA PHE A 65 101.564 -4.150 12.978 1.00 1.16 H new ATOM 0 HB2 PHE A 65 99.710 -3.368 14.572 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.483 -2.107 13.631 1.00 1.11 H new ATOM 0 HD1 PHE A 65 99.332 -1.111 11.660 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.405 -4.043 14.138 1.00 1.30 H new ATOM 0 HE1 PHE A 65 97.139 -0.499 10.678 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.210 -3.428 13.157 1.00 1.43 H new ATOM 0 HZ PHE A 65 95.078 -1.657 11.428 1.00 1.47 H new ATOM 914 N GLU A 66 100.510 -6.405 13.303 1.00 1.35 N ATOM 915 CA GLU A 66 99.871 -7.744 13.497 1.00 1.50 C ATOM 916 C GLU A 66 100.428 -8.409 14.756 1.00 1.54 C ATOM 917 O GLU A 66 101.550 -8.876 14.780 1.00 1.61 O ATOM 918 CB GLU A 66 100.173 -8.629 12.286 1.00 1.62 C ATOM 919 CG GLU A 66 99.612 -10.033 12.524 1.00 1.80 C ATOM 920 CD GLU A 66 99.639 -10.819 11.212 1.00 1.94 C ATOM 921 OE1 GLU A 66 100.724 -11.158 10.769 1.00 2.51 O ATOM 922 OE2 GLU A 66 98.574 -11.068 10.671 1.00 2.01 O ATOM 0 H GLU A 66 101.504 -6.364 13.530 1.00 1.35 H new ATOM 0 HA GLU A 66 98.794 -7.615 13.603 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.731 -8.197 11.388 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.249 -8.680 12.119 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.202 -10.549 13.282 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.592 -9.970 12.902 1.00 1.80 H new ATOM 929 N ASP A 67 99.648 -8.468 15.800 1.00 1.56 N ATOM 930 CA ASP A 67 100.126 -9.116 17.053 1.00 1.64 C ATOM 931 C ASP A 67 99.996 -10.633 16.907 1.00 1.84 C ATOM 932 O ASP A 67 98.944 -11.142 16.572 1.00 2.03 O ATOM 933 CB ASP A 67 99.274 -8.639 18.231 1.00 1.66 C ATOM 934 CG ASP A 67 97.804 -8.962 17.962 1.00 1.66 C ATOM 935 OD1 ASP A 67 97.268 -8.436 17.001 1.00 2.07 O ATOM 936 OD2 ASP A 67 97.238 -9.731 18.722 1.00 1.95 O ATOM 0 H ASP A 67 98.699 -8.095 15.839 1.00 1.56 H new ATOM 0 HA ASP A 67 101.168 -8.851 17.234 1.00 1.64 H new ATOM 0 HB2 ASP A 67 99.602 -9.124 19.150 1.00 1.66 H new ATOM 0 HB3 ASP A 67 99.401 -7.566 18.374 1.00 1.66 H new ATOM 941 N ARG A 68 101.061 -11.360 17.148 1.00 1.89 N ATOM 942 CA ARG A 68 101.016 -12.853 17.018 1.00 2.13 C ATOM 943 C ARG A 68 101.135 -13.491 18.401 1.00 2.20 C ATOM 944 O ARG A 68 100.549 -14.521 18.672 1.00 2.42 O ATOM 945 CB ARG A 68 102.182 -13.315 16.142 1.00 2.38 C ATOM 946 CG ARG A 68 102.049 -12.686 14.754 1.00 2.81 C ATOM 947 CD ARG A 68 103.335 -12.914 13.958 1.00 3.07 C ATOM 948 NE ARG A 68 104.474 -12.251 14.655 1.00 3.54 N ATOM 949 CZ ARG A 68 105.700 -12.539 14.318 1.00 4.11 C ATOM 950 NH1 ARG A 68 105.928 -13.401 13.366 1.00 4.63 N ATOM 951 NH2 ARG A 68 106.699 -11.963 14.930 1.00 4.56 N ATOM 0 H ARG A 68 101.965 -10.982 17.431 1.00 1.89 H new ATOM 0 HA ARG A 68 100.072 -13.153 16.563 1.00 2.13 H new ATOM 0 HB2 ARG A 68 103.130 -13.026 16.596 1.00 2.38 H new ATOM 0 HB3 ARG A 68 102.185 -14.402 16.063 1.00 2.38 H new ATOM 0 HG2 ARG A 68 101.201 -13.123 14.226 1.00 2.81 H new ATOM 0 HG3 ARG A 68 101.851 -11.618 14.846 1.00 2.81 H new ATOM 0 HD2 ARG A 68 103.528 -13.982 13.857 1.00 3.07 H new ATOM 0 HD3 ARG A 68 103.228 -12.513 12.950 1.00 3.07 H new ATOM 0 HE ARG A 68 104.294 -11.572 15.395 1.00 3.54 H new ATOM 0 HH11 ARG A 68 105.147 -13.849 12.886 1.00 4.63 H new ATOM 0 HH12 ARG A 68 106.887 -13.627 13.102 1.00 4.63 H new ATOM 0 HH21 ARG A 68 106.521 -11.287 15.673 1.00 4.56 H new ATOM 0 HH22 ARG A 68 107.658 -12.189 14.666 1.00 4.56 H new ATOM 965 N LYS A 69 101.889 -12.879 19.279 1.00 2.12 N ATOM 966 CA LYS A 69 102.064 -13.424 20.661 1.00 2.31 C ATOM 967 C LYS A 69 101.508 -12.412 21.658 1.00 2.26 C ATOM 968 O LYS A 69 101.606 -12.591 22.855 1.00 2.46 O ATOM 969 CB LYS A 69 103.556 -13.637 20.947 1.00 2.41 C ATOM 970 CG LYS A 69 104.226 -14.314 19.748 1.00 2.56 C ATOM 971 CD LYS A 69 103.594 -15.688 19.513 1.00 2.70 C ATOM 972 CE LYS A 69 104.482 -16.505 18.572 1.00 3.11 C ATOM 973 NZ LYS A 69 105.703 -16.947 19.302 1.00 3.49 N ATOM 0 H LYS A 69 102.397 -12.014 19.095 1.00 2.12 H new ATOM 0 HA LYS A 69 101.539 -14.375 20.751 1.00 2.31 H new ATOM 0 HB2 LYS A 69 104.036 -12.680 21.150 1.00 2.41 H new ATOM 0 HB3 LYS A 69 103.680 -14.252 21.839 1.00 2.41 H new ATOM 0 HG2 LYS A 69 104.114 -13.694 18.858 1.00 2.56 H new ATOM 0 HG3 LYS A 69 105.296 -14.421 19.929 1.00 2.56 H new ATOM 0 HD2 LYS A 69 103.473 -16.211 20.461 1.00 2.70 H new ATOM 0 HD3 LYS A 69 102.599 -15.573 19.083 1.00 2.70 H new ATOM 0 HE2 LYS A 69 103.935 -17.371 18.199 1.00 3.11 H new ATOM 0 HE3 LYS A 69 104.760 -15.906 17.705 1.00 3.11 H new ATOM 0 HZ1 LYS A 69 106.102 -17.787 18.835 1.00 3.49 H new ATOM 0 HZ2 LYS A 69 106.407 -16.181 19.297 1.00 3.49 H new ATOM 0 HZ3 LYS A 69 105.454 -17.182 20.284 1.00 3.49 H new ATOM 987 N ASP A 70 100.941 -11.341 21.171 1.00 2.12 N ATOM 988 CA ASP A 70 100.391 -10.300 22.086 1.00 2.24 C ATOM 989 C ASP A 70 101.558 -9.539 22.721 1.00 2.16 C ATOM 990 O ASP A 70 101.480 -8.353 22.974 1.00 2.34 O ATOM 991 CB ASP A 70 99.542 -10.974 23.182 1.00 2.58 C ATOM 992 CG ASP A 70 98.407 -10.042 23.622 1.00 2.68 C ATOM 993 OD1 ASP A 70 97.387 -10.027 22.952 1.00 2.89 O ATOM 994 OD2 ASP A 70 98.577 -9.361 24.620 1.00 3.06 O ATOM 0 H ASP A 70 100.835 -11.142 20.176 1.00 2.12 H new ATOM 0 HA ASP A 70 99.761 -9.606 21.530 1.00 2.24 H new ATOM 0 HB2 ASP A 70 99.129 -11.910 22.807 1.00 2.58 H new ATOM 0 HB3 ASP A 70 100.170 -11.223 24.037 1.00 2.58 H new ATOM 999 N GLY A 71 102.641 -10.222 22.981 1.00 2.05 N ATOM 1000 CA GLY A 71 103.823 -9.563 23.601 1.00 2.02 C ATOM 1001 C GLY A 71 104.785 -9.107 22.504 1.00 1.94 C ATOM 1002 O GLY A 71 105.428 -8.082 22.615 1.00 2.16 O ATOM 0 H GLY A 71 102.756 -11.217 22.788 1.00 2.05 H new ATOM 0 HA2 GLY A 71 103.505 -8.709 24.199 1.00 2.02 H new ATOM 0 HA3 GLY A 71 104.326 -10.255 24.276 1.00 2.02 H new ATOM 1006 N SER A 72 104.889 -9.863 21.442 1.00 1.78 N ATOM 1007 CA SER A 72 105.808 -9.481 20.329 1.00 1.72 C ATOM 1008 C SER A 72 105.019 -8.737 19.252 1.00 1.60 C ATOM 1009 O SER A 72 104.243 -9.322 18.523 1.00 1.64 O ATOM 1010 CB SER A 72 106.424 -10.743 19.724 1.00 1.82 C ATOM 1011 OG SER A 72 107.250 -11.375 20.693 1.00 2.20 O ATOM 0 H SER A 72 104.375 -10.732 21.297 1.00 1.78 H new ATOM 0 HA SER A 72 106.598 -8.836 20.714 1.00 1.72 H new ATOM 0 HB2 SER A 72 105.638 -11.425 19.399 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.010 -10.488 18.841 1.00 1.82 H new ATOM 0 HG SER A 72 107.645 -12.185 20.308 1.00 2.20 H new ATOM 1017 N CYS A 73 105.212 -7.451 19.142 1.00 1.50 N ATOM 1018 CA CYS A 73 104.473 -6.674 18.106 1.00 1.40 C ATOM 1019 C CYS A 73 105.162 -6.854 16.752 1.00 1.37 C ATOM 1020 O CYS A 73 106.318 -6.520 16.583 1.00 1.39 O ATOM 1021 CB CYS A 73 104.462 -5.192 18.485 1.00 1.31 C ATOM 1022 SG CYS A 73 103.934 -5.013 20.206 1.00 2.05 S ATOM 0 H CYS A 73 105.848 -6.905 19.723 1.00 1.50 H new ATOM 0 HA CYS A 73 103.446 -7.035 18.043 1.00 1.40 H new ATOM 0 HB2 CYS A 73 105.456 -4.764 18.352 1.00 1.31 H new ATOM 0 HB3 CYS A 73 103.788 -4.643 17.828 1.00 1.31 H new ATOM 0 HG CYS A 73 103.927 -3.754 20.529 1.00 2.05 H new ATOM 1028 N GLY A 74 104.459 -7.383 15.785 1.00 1.39 N ATOM 1029 CA GLY A 74 105.058 -7.595 14.434 1.00 1.38 C ATOM 1030 C GLY A 74 104.650 -6.448 13.512 1.00 1.28 C ATOM 1031 O GLY A 74 103.481 -6.179 13.319 1.00 1.26 O ATOM 0 H GLY A 74 103.487 -7.680 15.874 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.144 -7.646 14.510 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.722 -8.546 14.020 1.00 1.38 H new ATOM 1035 N VAL A 75 105.612 -5.771 12.943 1.00 1.25 N ATOM 1036 CA VAL A 75 105.310 -4.626 12.021 1.00 1.16 C ATOM 1037 C VAL A 75 105.783 -4.982 10.612 1.00 1.20 C ATOM 1038 O VAL A 75 106.959 -4.936 10.309 1.00 1.25 O ATOM 1039 CB VAL A 75 106.052 -3.384 12.514 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.663 -2.176 11.660 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.679 -3.117 13.974 1.00 1.57 C ATOM 0 H VAL A 75 106.605 -5.961 13.076 1.00 1.25 H new ATOM 0 HA VAL A 75 104.238 -4.429 12.005 1.00 1.16 H new ATOM 0 HB VAL A 75 107.126 -3.550 12.434 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.194 -1.293 12.015 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.928 -2.365 10.620 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.589 -2.008 11.736 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.207 -2.232 14.328 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.604 -2.954 14.051 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.960 -3.975 14.584 1.00 1.57 H new ATOM 1051 N SER A 76 104.871 -5.346 9.747 1.00 1.22 N ATOM 1052 CA SER A 76 105.257 -5.717 8.355 1.00 1.29 C ATOM 1053 C SER A 76 105.139 -4.504 7.436 1.00 1.19 C ATOM 1054 O SER A 76 104.134 -3.822 7.409 1.00 1.20 O ATOM 1055 CB SER A 76 104.348 -6.843 7.850 1.00 1.40 C ATOM 1056 OG SER A 76 105.008 -7.543 6.803 1.00 1.85 O ATOM 0 H SER A 76 103.872 -5.402 9.947 1.00 1.22 H new ATOM 0 HA SER A 76 106.291 -6.061 8.353 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.108 -7.526 8.665 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.405 -6.432 7.490 1.00 1.40 H new ATOM 0 HG SER A 76 105.807 -7.046 6.530 1.00 1.85 H new ATOM 1062 N TYR A 77 106.171 -4.247 6.676 1.00 1.21 N ATOM 1063 CA TYR A 77 106.168 -3.095 5.728 1.00 1.12 C ATOM 1064 C TYR A 77 106.523 -3.622 4.336 1.00 1.20 C ATOM 1065 O TYR A 77 107.488 -4.341 4.167 1.00 1.43 O ATOM 1066 CB TYR A 77 107.203 -2.057 6.181 1.00 1.07 C ATOM 1067 CG TYR A 77 108.602 -2.616 6.023 1.00 1.14 C ATOM 1068 CD1 TYR A 77 109.033 -3.670 6.839 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.469 -2.077 5.064 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.327 -4.184 6.695 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.763 -2.591 4.921 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.191 -3.645 5.736 1.00 1.39 C ATOM 1073 OH TYR A 77 112.467 -4.152 5.595 1.00 1.54 O ATOM 0 H TYR A 77 107.030 -4.797 6.673 1.00 1.21 H new ATOM 0 HA TYR A 77 105.187 -2.620 5.705 1.00 1.12 H new ATOM 0 HB2 TYR A 77 107.098 -1.146 5.592 1.00 1.07 H new ATOM 0 HB3 TYR A 77 107.026 -1.786 7.222 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.366 -4.086 7.580 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.139 -1.264 4.434 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.658 -4.997 7.324 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.431 -2.174 4.182 1.00 1.28 H new ATOM 0 HH TYR A 77 112.968 -4.012 6.425 1.00 1.54 H new ATOM 1083 N VAL A 78 105.746 -3.286 3.339 1.00 1.13 N ATOM 1084 CA VAL A 78 106.027 -3.783 1.958 1.00 1.21 C ATOM 1085 C VAL A 78 106.717 -2.686 1.154 1.00 1.14 C ATOM 1086 O VAL A 78 106.127 -1.675 0.830 1.00 1.11 O ATOM 1087 CB VAL A 78 104.707 -4.154 1.280 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.992 -4.936 -0.003 1.00 1.81 C ATOM 1089 CG2 VAL A 78 103.869 -5.016 2.229 1.00 1.90 C ATOM 0 H VAL A 78 104.925 -2.686 3.422 1.00 1.13 H new ATOM 0 HA VAL A 78 106.674 -4.658 2.008 1.00 1.21 H new ATOM 0 HB VAL A 78 104.158 -3.245 1.035 1.00 1.29 H new ATOM 0 HG11 VAL A 78 104.051 -5.200 -0.485 1.00 1.81 H new ATOM 0 HG12 VAL A 78 105.586 -4.321 -0.679 1.00 1.81 H new ATOM 0 HG13 VAL A 78 105.542 -5.845 0.240 1.00 1.81 H new ATOM 0 HG21 VAL A 78 102.928 -5.280 1.746 1.00 1.90 H new ATOM 0 HG22 VAL A 78 104.418 -5.925 2.476 1.00 1.90 H new ATOM 0 HG23 VAL A 78 103.663 -4.457 3.142 1.00 1.90 H new ATOM 1099 N VAL A 79 107.965 -2.874 0.831 1.00 1.17 N ATOM 1100 CA VAL A 79 108.690 -1.837 0.050 1.00 1.11 C ATOM 1101 C VAL A 79 108.284 -1.935 -1.420 1.00 1.15 C ATOM 1102 O VAL A 79 107.822 -2.962 -1.873 1.00 1.24 O ATOM 1103 CB VAL A 79 110.197 -2.064 0.182 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.651 -1.693 1.606 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.509 -3.540 -0.092 1.00 1.27 C ATOM 0 H VAL A 79 108.513 -3.699 1.074 1.00 1.17 H new ATOM 0 HA VAL A 79 108.438 -0.847 0.431 1.00 1.11 H new ATOM 0 HB VAL A 79 110.727 -1.439 -0.537 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.725 -1.855 1.699 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.424 -0.644 1.799 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.126 -2.317 2.329 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.582 -3.708 0.001 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.980 -4.164 0.629 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.187 -3.799 -1.101 1.00 1.27 H new ATOM 1115 N GLN A 80 108.447 -0.874 -2.173 1.00 1.10 N ATOM 1116 CA GLN A 80 108.058 -0.905 -3.616 1.00 1.15 C ATOM 1117 C GLN A 80 109.297 -1.074 -4.496 1.00 1.17 C ATOM 1118 O GLN A 80 109.308 -1.883 -5.403 1.00 1.25 O ATOM 1119 CB GLN A 80 107.360 0.411 -3.979 1.00 1.11 C ATOM 1120 CG GLN A 80 106.555 0.234 -5.269 1.00 1.18 C ATOM 1121 CD GLN A 80 106.139 1.606 -5.804 1.00 1.80 C ATOM 1122 OE1 GLN A 80 106.955 2.343 -6.322 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.894 1.984 -5.699 1.00 2.48 N ATOM 0 H GLN A 80 108.833 0.013 -1.849 1.00 1.10 H new ATOM 0 HA GLN A 80 107.385 -1.746 -3.783 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.701 0.719 -3.168 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.099 1.202 -4.107 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.152 -0.292 -6.013 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.672 -0.377 -5.078 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.208 1.366 -5.264 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.607 2.897 -6.051 1.00 2.48 H new ATOM 1132 N GLU A 81 110.339 -0.305 -4.266 1.00 1.11 N ATOM 1133 CA GLU A 81 111.556 -0.431 -5.137 1.00 1.13 C ATOM 1134 C GLU A 81 112.843 -0.079 -4.356 1.00 1.07 C ATOM 1135 O GLU A 81 112.803 0.744 -3.462 1.00 0.98 O ATOM 1136 CB GLU A 81 111.432 0.542 -6.323 1.00 1.11 C ATOM 1137 CG GLU A 81 110.347 0.079 -7.305 1.00 1.43 C ATOM 1138 CD GLU A 81 110.710 -1.289 -7.889 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.813 -1.421 -8.394 1.00 1.65 O ATOM 1140 OE2 GLU A 81 109.880 -2.180 -7.820 1.00 1.92 O ATOM 0 H GLU A 81 110.400 0.394 -3.525 1.00 1.11 H new ATOM 0 HA GLU A 81 111.620 -1.463 -5.481 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.193 1.540 -5.955 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.389 0.614 -6.840 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.386 0.021 -6.795 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.238 0.808 -8.108 1.00 1.43 H new ATOM 1147 N PRO A 82 113.962 -0.693 -4.732 1.00 1.14 N ATOM 1148 CA PRO A 82 115.266 -0.433 -4.100 1.00 1.14 C ATOM 1149 C PRO A 82 115.472 1.025 -3.725 1.00 1.00 C ATOM 1150 O PRO A 82 114.767 1.914 -4.158 1.00 0.91 O ATOM 1151 CB PRO A 82 116.281 -0.881 -5.150 1.00 1.23 C ATOM 1152 CG PRO A 82 115.559 -1.950 -5.986 1.00 1.30 C ATOM 1153 CD PRO A 82 114.044 -1.710 -5.804 1.00 1.26 C ATOM 0 HA PRO A 82 115.359 -0.966 -3.154 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.598 -0.044 -5.772 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.177 -1.288 -4.682 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.839 -1.874 -7.037 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.834 -2.951 -5.655 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.584 -1.354 -6.726 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.527 -2.627 -5.523 1.00 1.26 H new ATOM 1161 N GLY A 83 116.461 1.252 -2.912 1.00 0.99 N ATOM 1162 CA GLY A 83 116.782 2.636 -2.461 1.00 0.89 C ATOM 1163 C GLY A 83 117.213 2.594 -0.997 1.00 0.92 C ATOM 1164 O GLY A 83 117.260 1.546 -0.383 1.00 1.02 O ATOM 0 H GLY A 83 117.071 0.528 -2.534 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.577 3.057 -3.076 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.912 3.282 -2.579 1.00 0.89 H new ATOM 1168 N ASP A 84 117.512 3.729 -0.428 1.00 0.87 N ATOM 1169 CA ASP A 84 117.925 3.775 1.003 1.00 0.93 C ATOM 1170 C ASP A 84 116.708 4.172 1.827 1.00 0.83 C ATOM 1171 O ASP A 84 116.451 5.333 2.057 1.00 0.76 O ATOM 1172 CB ASP A 84 119.036 4.812 1.187 1.00 0.98 C ATOM 1173 CG ASP A 84 120.263 4.393 0.376 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.948 3.479 0.804 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.496 4.993 -0.661 1.00 2.13 O ATOM 0 H ASP A 84 117.488 4.634 -0.897 1.00 0.87 H new ATOM 0 HA ASP A 84 118.301 2.803 1.323 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.690 5.793 0.862 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.296 4.899 2.242 1.00 0.98 H new ATOM 1180 N TYR A 85 115.948 3.216 2.261 1.00 0.84 N ATOM 1181 CA TYR A 85 114.741 3.531 3.056 1.00 0.76 C ATOM 1182 C TYR A 85 115.183 3.939 4.460 1.00 0.80 C ATOM 1183 O TYR A 85 116.021 3.304 5.068 1.00 0.92 O ATOM 1184 CB TYR A 85 113.841 2.281 3.092 1.00 0.80 C ATOM 1185 CG TYR A 85 112.731 2.402 2.073 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.516 2.996 2.428 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.924 1.923 0.773 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.492 3.111 1.484 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.902 2.038 -0.173 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.685 2.632 0.182 1.00 0.67 C ATOM 1191 OH TYR A 85 109.676 2.749 -0.751 1.00 0.68 O ATOM 0 H TYR A 85 116.113 2.223 2.098 1.00 0.84 H new ATOM 0 HA TYR A 85 114.175 4.353 2.616 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.436 1.391 2.887 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.417 2.159 4.089 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.369 3.366 3.432 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.863 1.464 0.500 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.553 3.569 1.758 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.051 1.669 -1.177 1.00 0.75 H new ATOM 0 HH TYR A 85 108.827 2.927 -0.294 1.00 0.68 H new ATOM 1201 N GLU A 86 114.631 5.010 4.964 1.00 0.73 N ATOM 1202 CA GLU A 86 115.006 5.511 6.325 1.00 0.78 C ATOM 1203 C GLU A 86 113.763 5.458 7.216 1.00 0.74 C ATOM 1204 O GLU A 86 112.741 6.014 6.881 1.00 0.68 O ATOM 1205 CB GLU A 86 115.532 6.980 6.237 1.00 0.78 C ATOM 1206 CG GLU A 86 115.560 7.479 4.778 1.00 0.72 C ATOM 1207 CD GLU A 86 116.805 6.937 4.073 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.239 5.854 4.429 1.00 1.53 O ATOM 1209 OE2 GLU A 86 117.304 7.614 3.189 1.00 1.26 O ATOM 0 H GLU A 86 113.925 5.570 4.485 1.00 0.73 H new ATOM 0 HA GLU A 86 115.798 4.889 6.742 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.896 7.633 6.835 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.534 7.036 6.662 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.662 7.152 4.254 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.563 8.569 4.756 1.00 0.72 H new ATOM 1216 N VAL A 87 113.847 4.796 8.343 1.00 0.81 N ATOM 1217 CA VAL A 87 112.671 4.699 9.267 1.00 0.78 C ATOM 1218 C VAL A 87 113.060 5.243 10.644 1.00 0.86 C ATOM 1219 O VAL A 87 114.135 4.966 11.142 1.00 0.99 O ATOM 1220 CB VAL A 87 112.256 3.229 9.381 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.261 2.461 10.244 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.864 3.138 10.011 1.00 0.83 C ATOM 0 H VAL A 87 114.686 4.314 8.666 1.00 0.81 H new ATOM 0 HA VAL A 87 111.838 5.285 8.879 1.00 0.78 H new ATOM 0 HB VAL A 87 112.236 2.788 8.384 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.955 1.417 10.317 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.250 2.518 9.789 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.295 2.900 11.241 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.569 2.092 10.092 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.884 3.587 11.004 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.146 3.670 9.386 1.00 0.83 H new ATOM 1232 N SER A 88 112.194 6.014 11.261 1.00 0.81 N ATOM 1233 CA SER A 88 112.509 6.585 12.612 1.00 0.91 C ATOM 1234 C SER A 88 111.334 6.353 13.558 1.00 0.87 C ATOM 1235 O SER A 88 110.265 6.897 13.377 1.00 0.84 O ATOM 1236 CB SER A 88 112.764 8.087 12.480 1.00 0.94 C ATOM 1237 OG SER A 88 111.569 8.729 12.053 1.00 1.59 O ATOM 0 H SER A 88 111.281 6.273 10.887 1.00 0.81 H new ATOM 0 HA SER A 88 113.396 6.094 13.013 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.090 8.498 13.435 1.00 0.94 H new ATOM 0 HB3 SER A 88 113.565 8.270 11.764 1.00 0.94 H new ATOM 0 HG SER A 88 110.806 8.131 12.198 1.00 1.59 H new ATOM 1243 N ILE A 89 111.534 5.544 14.572 1.00 0.99 N ATOM 1244 CA ILE A 89 110.440 5.254 15.552 1.00 0.98 C ATOM 1245 C ILE A 89 110.784 5.866 16.915 1.00 1.08 C ATOM 1246 O ILE A 89 111.924 5.865 17.333 1.00 1.20 O ATOM 1247 CB ILE A 89 110.280 3.728 15.686 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.389 3.150 16.588 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.364 3.094 14.293 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.435 1.622 16.465 1.00 1.29 C ATOM 0 H ILE A 89 112.416 5.069 14.763 1.00 0.99 H new ATOM 0 HA ILE A 89 109.506 5.691 15.199 1.00 0.98 H new ATOM 0 HB ILE A 89 109.314 3.505 16.138 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.353 3.573 16.306 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.208 3.433 17.625 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.252 2.013 14.378 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.569 3.493 13.663 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.331 3.324 13.846 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.223 1.229 17.108 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.476 1.203 16.769 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.639 1.346 15.430 1.00 1.29 H new ATOM 1262 N LYS A 90 109.803 6.373 17.619 1.00 1.05 N ATOM 1263 CA LYS A 90 110.055 6.964 18.961 1.00 1.16 C ATOM 1264 C LYS A 90 108.915 6.582 19.902 1.00 1.11 C ATOM 1265 O LYS A 90 107.765 6.864 19.629 1.00 1.01 O ATOM 1266 CB LYS A 90 110.122 8.491 18.859 1.00 1.22 C ATOM 1267 CG LYS A 90 108.811 9.066 18.257 1.00 1.15 C ATOM 1268 CD LYS A 90 109.147 10.114 17.183 1.00 1.34 C ATOM 1269 CE LYS A 90 109.614 9.402 15.900 1.00 1.04 C ATOM 1270 NZ LYS A 90 110.770 10.142 15.321 1.00 1.58 N ATOM 0 H LYS A 90 108.830 6.401 17.315 1.00 1.05 H new ATOM 0 HA LYS A 90 111.002 6.584 19.344 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.291 8.918 19.848 1.00 1.22 H new ATOM 0 HB3 LYS A 90 110.969 8.781 18.238 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.217 8.263 17.821 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.207 9.518 19.043 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.272 10.728 16.973 1.00 1.34 H new ATOM 0 HD3 LYS A 90 109.927 10.784 17.545 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.900 8.374 16.124 1.00 1.04 H new ATOM 0 HE3 LYS A 90 108.798 9.356 15.178 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.372 9.483 14.788 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 110.422 10.886 14.683 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.324 10.575 16.087 1.00 1.58 H new ATOM 1284 N PHE A 91 109.215 5.957 21.016 1.00 1.21 N ATOM 1285 CA PHE A 91 108.116 5.585 21.957 1.00 1.18 C ATOM 1286 C PHE A 91 107.717 6.828 22.743 1.00 1.22 C ATOM 1287 O PHE A 91 108.299 7.147 23.757 1.00 1.34 O ATOM 1288 CB PHE A 91 108.593 4.492 22.923 1.00 1.29 C ATOM 1289 CG PHE A 91 107.394 3.851 23.593 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.481 3.112 22.828 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.191 3.997 24.974 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.370 2.520 23.441 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.077 3.402 25.585 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.168 2.665 24.818 1.00 1.24 C ATOM 0 H PHE A 91 110.156 5.693 21.309 1.00 1.21 H new ATOM 0 HA PHE A 91 107.263 5.202 21.397 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.167 3.739 22.382 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.257 4.920 23.674 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.635 2.999 21.765 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.892 4.567 25.566 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.668 1.951 22.850 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.921 3.513 26.648 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.310 2.208 25.289 1.00 1.24 H new ATOM 1304 N ASN A 92 106.739 7.544 22.273 1.00 1.15 N ATOM 1305 CA ASN A 92 106.322 8.781 22.980 1.00 1.23 C ATOM 1306 C ASN A 92 107.472 9.792 22.897 1.00 1.32 C ATOM 1307 O ASN A 92 107.733 10.521 23.829 1.00 1.42 O ATOM 1308 CB ASN A 92 105.994 8.465 24.451 1.00 1.32 C ATOM 1309 CG ASN A 92 105.014 9.506 25.001 1.00 1.74 C ATOM 1310 OD1 ASN A 92 103.794 9.146 25.291 1.00 2.32 O flip ATOM 1311 ND2 ASN A 92 105.362 10.658 25.166 1.00 2.24 N flip ATOM 0 H ASN A 92 106.210 7.326 21.429 1.00 1.15 H new ATOM 0 HA ASN A 92 105.427 9.196 22.515 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.561 7.468 24.530 1.00 1.32 H new ATOM 0 HB3 ASN A 92 106.908 8.464 25.045 1.00 1.32 H new ATOM 0 HD21 ASN A 92 106.316 10.940 24.939 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.701 11.343 25.531 1.00 2.24 H new ATOM 1318 N ASP A 93 108.148 9.824 21.769 1.00 1.28 N ATOM 1319 CA ASP A 93 109.294 10.771 21.549 1.00 1.37 C ATOM 1320 C ASP A 93 110.623 10.158 22.011 1.00 1.45 C ATOM 1321 O ASP A 93 111.632 10.833 22.054 1.00 1.53 O ATOM 1322 CB ASP A 93 109.078 12.111 22.264 1.00 1.46 C ATOM 1323 CG ASP A 93 107.611 12.535 22.153 1.00 1.46 C ATOM 1324 OD1 ASP A 93 106.984 12.177 21.170 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.141 13.211 23.053 1.00 1.92 O ATOM 0 H ASP A 93 107.948 9.219 20.973 1.00 1.28 H new ATOM 0 HA ASP A 93 109.338 10.954 20.475 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.361 12.022 23.313 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.720 12.874 21.824 1.00 1.46 H new ATOM 1330 N GLU A 94 110.660 8.882 22.312 1.00 1.43 N ATOM 1331 CA GLU A 94 111.952 8.260 22.712 1.00 1.53 C ATOM 1332 C GLU A 94 112.647 7.840 21.403 1.00 1.52 C ATOM 1333 O GLU A 94 112.493 6.753 20.911 1.00 1.48 O ATOM 1334 CB GLU A 94 111.653 7.079 23.689 1.00 1.56 C ATOM 1335 CG GLU A 94 112.279 5.742 23.259 1.00 1.95 C ATOM 1336 CD GLU A 94 113.786 5.910 23.024 1.00 1.88 C ATOM 1337 OE1 GLU A 94 114.310 6.943 23.407 1.00 2.24 O ATOM 1338 OE2 GLU A 94 114.389 5.011 22.466 1.00 2.25 O ATOM 0 H GLU A 94 109.857 8.253 22.297 1.00 1.43 H new ATOM 0 HA GLU A 94 112.620 8.931 23.253 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.021 7.339 24.681 1.00 1.56 H new ATOM 0 HB3 GLU A 94 110.573 6.954 23.772 1.00 1.56 H new ATOM 0 HG2 GLU A 94 112.106 4.988 24.027 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.800 5.385 22.348 1.00 1.95 H new ATOM 1345 N HIS A 95 113.380 8.730 20.811 1.00 1.59 N ATOM 1346 CA HIS A 95 114.042 8.406 19.516 1.00 1.59 C ATOM 1347 C HIS A 95 115.146 7.350 19.711 1.00 1.71 C ATOM 1348 O HIS A 95 116.272 7.683 20.023 1.00 1.86 O ATOM 1349 CB HIS A 95 114.648 9.702 18.946 1.00 1.65 C ATOM 1350 CG HIS A 95 114.716 9.637 17.443 1.00 1.94 C ATOM 1351 ND1 HIS A 95 115.904 9.806 16.749 1.00 2.24 N ATOM 1352 CD2 HIS A 95 113.749 9.440 16.491 1.00 2.62 C ATOM 1353 CE1 HIS A 95 115.622 9.711 15.437 1.00 2.68 C ATOM 1354 NE2 HIS A 95 114.323 9.488 15.224 1.00 2.88 N ATOM 0 H HIS A 95 113.553 9.671 21.164 1.00 1.59 H new ATOM 0 HA HIS A 95 113.307 7.994 18.825 1.00 1.59 H new ATOM 0 HB2 HIS A 95 114.045 10.557 19.252 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.647 9.854 19.355 1.00 1.65 H new ATOM 0 HD1 HIS A 95 116.823 9.972 17.158 1.00 2.24 H new ATOM 0 HD2 HIS A 95 112.701 9.273 16.694 1.00 2.62 H new ATOM 0 HE1 HIS A 95 116.357 9.804 14.651 1.00 2.68 H new ATOM 1362 N ILE A 96 114.830 6.082 19.517 1.00 1.67 N ATOM 1363 CA ILE A 96 115.861 4.997 19.669 1.00 1.82 C ATOM 1364 C ILE A 96 117.220 5.498 19.106 1.00 1.88 C ATOM 1365 O ILE A 96 117.233 6.077 18.038 1.00 1.77 O ATOM 1366 CB ILE A 96 115.426 3.758 18.844 1.00 1.82 C ATOM 1367 CG1 ILE A 96 113.901 3.574 18.895 1.00 1.98 C ATOM 1368 CG2 ILE A 96 116.101 2.492 19.381 1.00 2.35 C ATOM 1369 CD1 ILE A 96 113.402 3.521 20.343 1.00 2.27 C ATOM 0 H ILE A 96 113.899 5.754 19.259 1.00 1.67 H new ATOM 0 HA ILE A 96 115.958 4.738 20.723 1.00 1.82 H new ATOM 0 HB ILE A 96 115.732 3.924 17.811 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.414 4.395 18.369 1.00 1.98 H new ATOM 0 HG13 ILE A 96 113.624 2.655 18.378 1.00 1.98 H new ATOM 0 HG21 ILE A 96 115.784 1.632 18.790 1.00 2.35 H new ATOM 0 HG22 ILE A 96 117.183 2.600 19.313 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.816 2.342 20.422 1.00 2.35 H new ATOM 0 HD11 ILE A 96 112.320 3.390 20.350 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.872 2.684 20.859 1.00 2.27 H new ATOM 0 HD13 ILE A 96 113.659 4.451 20.851 1.00 2.27 H new ATOM 1381 N PRO A 97 118.328 5.266 19.794 1.00 2.08 N ATOM 1382 CA PRO A 97 119.635 5.713 19.275 1.00 2.18 C ATOM 1383 C PRO A 97 119.835 5.154 17.857 1.00 2.06 C ATOM 1384 O PRO A 97 120.776 5.493 17.167 1.00 2.32 O ATOM 1385 CB PRO A 97 120.679 5.149 20.269 1.00 2.43 C ATOM 1386 CG PRO A 97 119.896 4.443 21.416 1.00 2.48 C ATOM 1387 CD PRO A 97 118.387 4.567 21.098 1.00 2.25 C ATOM 0 HA PRO A 97 119.720 6.797 19.200 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.344 4.445 19.769 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.303 5.950 20.666 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.187 3.395 21.490 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.124 4.905 22.376 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.913 3.587 21.043 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.865 5.130 21.872 1.00 2.25 H new ATOM 1395 N ASP A 98 118.946 4.300 17.426 1.00 2.10 N ATOM 1396 CA ASP A 98 119.054 3.708 16.061 1.00 1.98 C ATOM 1397 C ASP A 98 118.379 4.621 15.051 1.00 1.76 C ATOM 1398 O ASP A 98 118.913 4.892 13.993 1.00 1.73 O ATOM 1399 CB ASP A 98 118.362 2.336 16.049 1.00 1.95 C ATOM 1400 CG ASP A 98 119.281 1.291 16.685 1.00 2.28 C ATOM 1401 OD1 ASP A 98 120.336 1.673 17.166 1.00 2.65 O ATOM 1402 OD2 ASP A 98 118.915 0.127 16.680 1.00 2.64 O ATOM 0 H ASP A 98 118.141 3.984 17.967 1.00 2.10 H new ATOM 0 HA ASP A 98 120.105 3.594 15.797 1.00 1.98 H new ATOM 0 HB2 ASP A 98 117.420 2.388 16.596 1.00 1.95 H new ATOM 0 HB3 ASP A 98 118.121 2.048 15.026 1.00 1.95 H new ATOM 1407 N SER A 99 117.197 5.071 15.342 1.00 1.67 N ATOM 1408 CA SER A 99 116.481 5.928 14.366 1.00 1.48 C ATOM 1409 C SER A 99 117.363 7.133 13.982 1.00 1.62 C ATOM 1410 O SER A 99 117.937 7.744 14.862 1.00 1.87 O ATOM 1411 CB SER A 99 115.193 6.438 15.014 1.00 1.48 C ATOM 1412 OG SER A 99 115.476 6.871 16.338 1.00 2.00 O ATOM 0 H SER A 99 116.696 4.884 16.211 1.00 1.67 H new ATOM 0 HA SER A 99 116.252 5.350 13.470 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.779 7.260 14.430 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.442 5.648 15.030 1.00 1.48 H new ATOM 0 HG SER A 99 116.394 6.622 16.574 1.00 2.00 H new ATOM 1418 N PRO A 100 117.442 7.492 12.701 1.00 1.55 N ATOM 1419 CA PRO A 100 116.780 6.813 11.546 1.00 1.33 C ATOM 1420 C PRO A 100 117.699 5.702 10.971 1.00 1.33 C ATOM 1421 O PRO A 100 118.733 6.007 10.411 1.00 1.47 O ATOM 1422 CB PRO A 100 116.654 7.946 10.503 1.00 1.43 C ATOM 1423 CG PRO A 100 117.693 9.037 10.894 1.00 1.74 C ATOM 1424 CD PRO A 100 118.201 8.695 12.313 1.00 1.79 C ATOM 0 HA PRO A 100 115.834 6.345 11.817 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.848 7.570 9.499 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.645 8.357 10.500 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.519 9.054 10.183 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.237 10.027 10.877 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.274 8.504 12.314 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.023 9.517 13.006 1.00 1.79 H new ATOM 1432 N PHE A 101 117.352 4.429 11.057 1.00 1.25 N ATOM 1433 CA PHE A 101 118.271 3.398 10.448 1.00 1.36 C ATOM 1434 C PHE A 101 118.002 3.326 8.940 1.00 1.24 C ATOM 1435 O PHE A 101 116.950 3.708 8.465 1.00 1.16 O ATOM 1436 CB PHE A 101 118.097 1.983 11.075 1.00 1.55 C ATOM 1437 CG PHE A 101 116.793 1.861 11.825 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.574 2.664 12.929 1.00 1.50 C ATOM 1439 CD2 PHE A 101 115.826 0.926 11.437 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.393 2.555 13.665 1.00 1.83 C ATOM 1441 CE2 PHE A 101 114.638 0.811 12.167 1.00 2.18 C ATOM 1442 CZ PHE A 101 114.420 1.627 13.283 1.00 2.19 C ATOM 0 H PHE A 101 116.508 4.070 11.503 1.00 1.25 H new ATOM 0 HA PHE A 101 119.296 3.710 10.651 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.136 1.229 10.289 1.00 1.55 H new ATOM 0 HB3 PHE A 101 118.927 1.781 11.752 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.324 3.383 13.225 1.00 1.50 H new ATOM 0 HD2 PHE A 101 115.997 0.295 10.577 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.232 3.186 14.527 1.00 1.83 H new ATOM 0 HE2 PHE A 101 113.889 0.092 11.869 1.00 2.18 H new ATOM 0 HZ PHE A 101 113.503 1.540 13.847 1.00 2.19 H new ATOM 1452 N VAL A 102 118.952 2.834 8.186 1.00 1.28 N ATOM 1453 CA VAL A 102 118.771 2.726 6.708 1.00 1.21 C ATOM 1454 C VAL A 102 118.342 1.299 6.351 1.00 1.23 C ATOM 1455 O VAL A 102 118.856 0.335 6.884 1.00 1.34 O ATOM 1456 CB VAL A 102 120.094 3.054 6.013 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.166 2.053 6.449 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.907 2.975 4.496 1.00 1.29 C ATOM 0 H VAL A 102 119.851 2.501 8.534 1.00 1.28 H new ATOM 0 HA VAL A 102 118.004 3.427 6.379 1.00 1.21 H new ATOM 0 HB VAL A 102 120.407 4.061 6.289 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.107 2.289 5.953 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.301 2.112 7.529 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.855 1.045 6.176 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.849 3.209 4.001 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.592 1.969 4.220 1.00 1.29 H new ATOM 0 HG23 VAL A 102 119.146 3.691 4.185 1.00 1.29 H new ATOM 1468 N VAL A 103 117.401 1.165 5.450 1.00 1.15 N ATOM 1469 CA VAL A 103 116.911 -0.189 5.032 1.00 1.19 C ATOM 1470 C VAL A 103 117.135 -0.347 3.512 1.00 1.19 C ATOM 1471 O VAL A 103 116.250 -0.053 2.737 1.00 1.10 O ATOM 1472 CB VAL A 103 115.413 -0.282 5.351 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.821 -1.561 4.740 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.231 -0.312 6.872 1.00 1.14 C ATOM 0 H VAL A 103 116.944 1.946 4.979 1.00 1.15 H new ATOM 0 HA VAL A 103 117.448 -0.976 5.561 1.00 1.19 H new ATOM 0 HB VAL A 103 114.898 0.581 4.929 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.758 -1.617 4.973 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.956 -1.544 3.658 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.329 -2.431 5.155 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.169 -0.378 7.110 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.750 -1.178 7.284 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.644 0.599 7.306 1.00 1.14 H new ATOM 1484 N PRO A 104 118.321 -0.772 3.115 1.00 1.29 N ATOM 1485 CA PRO A 104 118.646 -0.921 1.682 1.00 1.30 C ATOM 1486 C PRO A 104 117.796 -2.023 1.023 1.00 1.33 C ATOM 1487 O PRO A 104 117.970 -3.198 1.280 1.00 1.44 O ATOM 1488 CB PRO A 104 120.154 -1.281 1.651 1.00 1.42 C ATOM 1489 CG PRO A 104 120.649 -1.345 3.126 1.00 1.49 C ATOM 1490 CD PRO A 104 119.422 -1.126 4.037 1.00 1.41 C ATOM 0 HA PRO A 104 118.431 -0.012 1.121 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.310 -2.238 1.152 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.715 -0.534 1.090 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.113 -2.309 3.333 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.405 -0.581 3.310 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.187 -2.026 4.606 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.603 -0.330 4.759 1.00 1.41 H new ATOM 1498 N VAL A 105 116.900 -1.640 0.149 1.00 1.25 N ATOM 1499 CA VAL A 105 116.052 -2.638 -0.571 1.00 1.29 C ATOM 1500 C VAL A 105 116.734 -2.920 -1.924 1.00 1.35 C ATOM 1501 O VAL A 105 117.376 -2.049 -2.482 1.00 1.31 O ATOM 1502 CB VAL A 105 114.653 -2.033 -0.758 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.795 -2.901 -1.690 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.965 -1.925 0.606 1.00 1.15 C ATOM 0 H VAL A 105 116.718 -0.667 -0.099 1.00 1.25 H new ATOM 0 HA VAL A 105 115.947 -3.573 -0.020 1.00 1.29 H new ATOM 0 HB VAL A 105 114.761 -1.046 -1.208 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.810 -2.448 -1.804 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.276 -2.973 -2.665 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.689 -3.898 -1.263 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.971 -1.496 0.479 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.878 -2.917 1.049 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.555 -1.285 1.262 1.00 1.15 H new ATOM 1514 N ALA A 106 116.644 -4.134 -2.435 1.00 1.46 N ATOM 1515 CA ALA A 106 117.342 -4.472 -3.730 1.00 1.53 C ATOM 1516 C ALA A 106 116.457 -5.349 -4.648 1.00 1.59 C ATOM 1517 O ALA A 106 115.847 -6.302 -4.225 1.00 1.66 O ATOM 1518 CB ALA A 106 118.632 -5.225 -3.378 1.00 1.67 C ATOM 0 H ALA A 106 116.121 -4.902 -2.014 1.00 1.46 H new ATOM 0 HA ALA A 106 117.556 -3.553 -4.275 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.163 -5.485 -4.294 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.266 -4.591 -2.759 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.385 -6.135 -2.831 1.00 1.67 H new ATOM 1524 N SER A 107 116.408 -5.033 -5.915 1.00 1.59 N ATOM 1525 CA SER A 107 115.599 -5.843 -6.875 1.00 1.67 C ATOM 1526 C SER A 107 116.477 -6.984 -7.360 1.00 1.81 C ATOM 1527 O SER A 107 116.763 -7.107 -8.534 1.00 1.83 O ATOM 1528 CB SER A 107 115.186 -4.988 -8.079 1.00 1.60 C ATOM 1529 OG SER A 107 114.643 -3.758 -7.629 1.00 2.04 O ATOM 0 H SER A 107 116.898 -4.241 -6.330 1.00 1.59 H new ATOM 0 HA SER A 107 114.698 -6.213 -6.385 1.00 1.67 H new ATOM 0 HB2 SER A 107 116.049 -4.803 -8.719 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.451 -5.522 -8.681 1.00 1.60 H new ATOM 0 HG SER A 107 114.382 -3.214 -8.401 1.00 2.04 H new ATOM 1535 N LEU A 108 116.939 -7.783 -6.443 1.00 1.98 N ATOM 1536 CA LEU A 108 117.853 -8.915 -6.788 1.00 2.16 C ATOM 1537 C LEU A 108 119.267 -8.340 -6.862 1.00 2.13 C ATOM 1538 O LEU A 108 120.249 -9.054 -6.904 1.00 2.33 O ATOM 1539 CB LEU A 108 117.453 -9.557 -8.138 1.00 2.25 C ATOM 1540 CG LEU A 108 117.816 -11.057 -8.150 1.00 2.76 C ATOM 1541 CD1 LEU A 108 116.714 -11.875 -7.464 1.00 3.20 C ATOM 1542 CD2 LEU A 108 117.963 -11.539 -9.598 1.00 3.20 C ATOM 0 H LEU A 108 116.721 -7.702 -5.450 1.00 1.98 H new ATOM 0 HA LEU A 108 117.792 -9.700 -6.034 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.383 -9.434 -8.303 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.962 -9.047 -8.956 1.00 2.25 H new ATOM 0 HG LEU A 108 118.755 -11.193 -7.614 1.00 2.76 H new ATOM 0 HD11 LEU A 108 116.982 -12.931 -7.479 1.00 3.20 H new ATOM 0 HD12 LEU A 108 116.604 -11.543 -6.432 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.772 -11.732 -7.993 1.00 3.20 H new ATOM 0 HD21 LEU A 108 118.219 -12.598 -9.605 1.00 3.20 H new ATOM 0 HD22 LEU A 108 117.022 -11.390 -10.128 1.00 3.20 H new ATOM 0 HD23 LEU A 108 118.752 -10.972 -10.092 1.00 3.20 H new ATOM 1554 N SER A 109 119.360 -7.038 -6.854 1.00 1.93 N ATOM 1555 CA SER A 109 120.685 -6.369 -6.899 1.00 1.92 C ATOM 1556 C SER A 109 121.386 -6.574 -5.563 1.00 2.00 C ATOM 1557 O SER A 109 122.583 -6.409 -5.451 1.00 2.09 O ATOM 1558 CB SER A 109 120.487 -4.880 -7.156 1.00 1.77 C ATOM 1559 OG SER A 109 121.758 -4.273 -7.340 1.00 2.06 O ATOM 0 H SER A 109 118.562 -6.404 -6.818 1.00 1.93 H new ATOM 0 HA SER A 109 121.293 -6.793 -7.698 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.866 -4.729 -8.039 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.966 -4.418 -6.317 1.00 1.77 H new ATOM 0 HG SER A 109 122.273 -4.786 -7.997 1.00 2.06 H new ATOM 1565 N ASP A 110 120.640 -6.905 -4.538 1.00 1.99 N ATOM 1566 CA ASP A 110 121.252 -7.098 -3.187 1.00 2.10 C ATOM 1567 C ASP A 110 122.155 -5.900 -2.894 1.00 2.06 C ATOM 1568 O ASP A 110 122.977 -5.918 -2.000 1.00 2.19 O ATOM 1569 CB ASP A 110 122.053 -8.413 -3.149 1.00 2.32 C ATOM 1570 CG ASP A 110 123.416 -8.243 -3.831 1.00 2.37 C ATOM 1571 OD1 ASP A 110 124.276 -7.608 -3.242 1.00 2.61 O ATOM 1572 OD2 ASP A 110 123.575 -8.750 -4.929 1.00 2.85 O ATOM 0 H ASP A 110 119.631 -7.050 -4.579 1.00 1.99 H new ATOM 0 HA ASP A 110 120.475 -7.163 -2.426 1.00 2.10 H new ATOM 0 HB2 ASP A 110 122.196 -8.727 -2.115 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.489 -9.202 -3.646 1.00 2.32 H new ATOM 1577 N ASP A 111 121.988 -4.863 -3.663 1.00 1.92 N ATOM 1578 CA ASP A 111 122.801 -3.634 -3.493 1.00 1.92 C ATOM 1579 C ASP A 111 122.146 -2.512 -4.304 1.00 1.78 C ATOM 1580 O ASP A 111 122.170 -1.363 -3.910 1.00 1.80 O ATOM 1581 CB ASP A 111 124.224 -3.877 -4.014 1.00 2.09 C ATOM 1582 CG ASP A 111 125.035 -4.652 -2.973 1.00 1.97 C ATOM 1583 OD1 ASP A 111 124.969 -4.290 -1.810 1.00 2.24 O ATOM 1584 OD2 ASP A 111 125.708 -5.593 -3.357 1.00 2.46 O ATOM 0 H ASP A 111 121.305 -4.817 -4.419 1.00 1.92 H new ATOM 0 HA ASP A 111 122.853 -3.362 -2.439 1.00 1.92 H new ATOM 0 HB2 ASP A 111 124.188 -4.436 -4.949 1.00 2.09 H new ATOM 0 HB3 ASP A 111 124.709 -2.925 -4.230 1.00 2.09 H new ATOM 1589 N ALA A 112 121.552 -2.843 -5.435 1.00 1.71 N ATOM 1590 CA ALA A 112 120.885 -1.799 -6.279 1.00 1.63 C ATOM 1591 C ALA A 112 121.711 -0.508 -6.292 1.00 1.84 C ATOM 1592 O ALA A 112 121.451 0.412 -5.543 1.00 2.08 O ATOM 1593 CB ALA A 112 119.500 -1.506 -5.712 1.00 1.53 C ATOM 0 H ALA A 112 121.503 -3.792 -5.806 1.00 1.71 H new ATOM 0 HA ALA A 112 120.802 -2.172 -7.300 1.00 1.63 H new ATOM 0 HB1 ALA A 112 119.010 -0.747 -6.322 1.00 1.53 H new ATOM 0 HB2 ALA A 112 118.903 -2.418 -5.719 1.00 1.53 H new ATOM 0 HB3 ALA A 112 119.595 -1.143 -4.689 1.00 1.53 H new ATOM 1599 N ARG A 113 122.701 -0.431 -7.137 1.00 2.07 N ATOM 1600 CA ARG A 113 123.532 0.799 -7.193 1.00 2.38 C ATOM 1601 C ARG A 113 122.762 1.895 -7.940 1.00 2.26 C ATOM 1602 O ARG A 113 122.115 1.646 -8.938 1.00 2.13 O ATOM 1603 CB ARG A 113 124.848 0.483 -7.922 1.00 2.71 C ATOM 1604 CG ARG A 113 125.874 -0.077 -6.930 1.00 3.42 C ATOM 1605 CD ARG A 113 127.149 -0.471 -7.679 1.00 4.01 C ATOM 1606 NE ARG A 113 128.247 -0.712 -6.702 1.00 4.89 N ATOM 1607 CZ ARG A 113 129.320 -1.355 -7.072 1.00 5.44 C ATOM 1608 NH1 ARG A 113 129.429 -1.791 -8.298 1.00 5.93 N ATOM 1609 NH2 ARG A 113 130.283 -1.565 -6.217 1.00 5.81 N ATOM 0 H ARG A 113 122.969 -1.167 -7.790 1.00 2.07 H new ATOM 0 HA ARG A 113 123.756 1.147 -6.185 1.00 2.38 H new ATOM 0 HB2 ARG A 113 124.668 -0.239 -8.719 1.00 2.71 H new ATOM 0 HB3 ARG A 113 125.239 1.385 -8.392 1.00 2.71 H new ATOM 0 HG2 ARG A 113 126.103 0.668 -6.168 1.00 3.42 H new ATOM 0 HG3 ARG A 113 125.461 -0.944 -6.414 1.00 3.42 H new ATOM 0 HD2 ARG A 113 126.972 -1.369 -8.272 1.00 4.01 H new ATOM 0 HD3 ARG A 113 127.434 0.319 -8.374 1.00 4.01 H new ATOM 0 HE ARG A 113 128.160 -0.374 -5.743 1.00 4.89 H new ATOM 0 HH11 ARG A 113 128.675 -1.629 -8.966 1.00 5.93 H new ATOM 0 HH12 ARG A 113 130.268 -2.294 -8.588 1.00 5.93 H new ATOM 0 HH21 ARG A 113 130.197 -1.226 -5.259 1.00 5.81 H new ATOM 0 HH22 ARG A 113 131.122 -2.068 -6.507 1.00 5.81 H new ATOM 1623 N ARG A 114 122.828 3.105 -7.456 1.00 2.56 N ATOM 1624 CA ARG A 114 122.105 4.231 -8.118 1.00 2.68 C ATOM 1625 C ARG A 114 123.028 4.878 -9.159 1.00 2.88 C ATOM 1626 O ARG A 114 122.705 5.887 -9.753 1.00 3.11 O ATOM 1627 CB ARG A 114 121.746 5.271 -7.056 1.00 3.13 C ATOM 1628 CG ARG A 114 120.769 6.306 -7.630 1.00 3.38 C ATOM 1629 CD ARG A 114 120.105 7.076 -6.486 1.00 3.88 C ATOM 1630 NE ARG A 114 119.129 8.052 -7.049 1.00 4.34 N ATOM 1631 CZ ARG A 114 118.246 8.615 -6.271 1.00 4.96 C ATOM 1632 NH1 ARG A 114 118.224 8.333 -4.997 1.00 5.24 N ATOM 1633 NH2 ARG A 114 117.385 9.462 -6.767 1.00 5.61 N ATOM 0 H ARG A 114 123.356 3.365 -6.623 1.00 2.56 H new ATOM 0 HA ARG A 114 121.202 3.862 -8.605 1.00 2.68 H new ATOM 0 HB2 ARG A 114 121.299 4.779 -6.192 1.00 3.13 H new ATOM 0 HB3 ARG A 114 122.650 5.770 -6.706 1.00 3.13 H new ATOM 0 HG2 ARG A 114 121.299 6.996 -8.287 1.00 3.38 H new ATOM 0 HG3 ARG A 114 120.011 5.809 -8.235 1.00 3.38 H new ATOM 0 HD2 ARG A 114 119.598 6.384 -5.813 1.00 3.88 H new ATOM 0 HD3 ARG A 114 120.860 7.598 -5.897 1.00 3.88 H new ATOM 0 HE ARG A 114 119.152 8.280 -8.043 1.00 4.34 H new ATOM 0 HH11 ARG A 114 118.897 7.672 -4.609 1.00 5.24 H new ATOM 0 HH12 ARG A 114 117.533 8.773 -4.389 1.00 5.24 H new ATOM 0 HH21 ARG A 114 117.403 9.683 -7.763 1.00 5.61 H new ATOM 0 HH22 ARG A 114 116.694 9.902 -6.159 1.00 5.61 H new ATOM 1647 N LEU A 115 124.180 4.300 -9.369 1.00 2.94 N ATOM 1648 CA LEU A 115 125.164 4.860 -10.358 1.00 3.30 C ATOM 1649 C LEU A 115 125.564 3.781 -11.370 1.00 3.36 C ATOM 1650 O LEU A 115 125.942 4.074 -12.487 1.00 3.66 O ATOM 1651 CB LEU A 115 126.413 5.331 -9.606 1.00 3.73 C ATOM 1652 CG LEU A 115 126.010 6.302 -8.457 1.00 3.89 C ATOM 1653 CD1 LEU A 115 126.122 5.600 -7.097 1.00 4.39 C ATOM 1654 CD2 LEU A 115 126.932 7.525 -8.462 1.00 4.19 C ATOM 0 H LEU A 115 124.491 3.452 -8.894 1.00 2.94 H new ATOM 0 HA LEU A 115 124.706 5.695 -10.888 1.00 3.30 H new ATOM 0 HB2 LEU A 115 126.946 4.473 -9.197 1.00 3.73 H new ATOM 0 HB3 LEU A 115 127.094 5.832 -10.294 1.00 3.73 H new ATOM 0 HG LEU A 115 124.978 6.614 -8.617 1.00 3.89 H new ATOM 0 HD11 LEU A 115 125.837 6.293 -6.305 1.00 4.39 H new ATOM 0 HD12 LEU A 115 125.459 4.735 -7.078 1.00 4.39 H new ATOM 0 HD13 LEU A 115 127.150 5.273 -6.940 1.00 4.39 H new ATOM 0 HD21 LEU A 115 126.645 8.200 -7.656 1.00 4.19 H new ATOM 0 HD22 LEU A 115 127.963 7.204 -8.316 1.00 4.19 H new ATOM 0 HD23 LEU A 115 126.845 8.043 -9.417 1.00 4.19 H new ATOM 1666 N THR A 116 125.467 2.536 -10.987 1.00 3.21 N ATOM 1667 CA THR A 116 125.817 1.408 -11.910 1.00 3.48 C ATOM 1668 C THR A 116 124.525 0.696 -12.260 1.00 3.22 C ATOM 1669 O THR A 116 123.943 0.916 -13.304 1.00 3.40 O ATOM 1670 CB THR A 116 126.772 0.438 -11.209 1.00 3.70 C ATOM 1671 OG1 THR A 116 127.920 1.146 -10.762 1.00 3.92 O ATOM 1672 CG2 THR A 116 127.195 -0.657 -12.188 1.00 4.09 C ATOM 0 H THR A 116 125.156 2.245 -10.060 1.00 3.21 H new ATOM 0 HA THR A 116 126.309 1.782 -12.808 1.00 3.48 H new ATOM 0 HB THR A 116 126.269 -0.015 -10.354 1.00 3.70 H new ATOM 0 HG1 THR A 116 128.531 0.527 -10.312 1.00 3.92 H new ATOM 0 HG21 THR A 116 127.875 -1.348 -11.690 1.00 4.09 H new ATOM 0 HG22 THR A 116 126.314 -1.199 -12.531 1.00 4.09 H new ATOM 0 HG23 THR A 116 127.699 -0.206 -13.043 1.00 4.09 H new ATOM 1680 N VAL A 117 124.036 -0.109 -11.367 1.00 2.90 N ATOM 1681 CA VAL A 117 122.740 -0.778 -11.618 1.00 2.76 C ATOM 1682 C VAL A 117 121.708 0.337 -11.737 1.00 2.58 C ATOM 1683 O VAL A 117 120.563 0.124 -12.081 1.00 2.69 O ATOM 1684 CB VAL A 117 122.401 -1.679 -10.432 1.00 2.47 C ATOM 1685 CG1 VAL A 117 120.939 -2.129 -10.521 1.00 2.42 C ATOM 1686 CG2 VAL A 117 123.315 -2.906 -10.449 1.00 2.90 C ATOM 0 H VAL A 117 124.478 -0.332 -10.475 1.00 2.90 H new ATOM 0 HA VAL A 117 122.764 -1.393 -12.517 1.00 2.76 H new ATOM 0 HB VAL A 117 122.549 -1.125 -9.505 1.00 2.47 H new ATOM 0 HG11 VAL A 117 120.704 -2.771 -9.672 1.00 2.42 H new ATOM 0 HG12 VAL A 117 120.288 -1.255 -10.506 1.00 2.42 H new ATOM 0 HG13 VAL A 117 120.784 -2.681 -11.448 1.00 2.42 H new ATOM 0 HG21 VAL A 117 123.075 -3.550 -9.603 1.00 2.90 H new ATOM 0 HG22 VAL A 117 123.168 -3.457 -11.378 1.00 2.90 H new ATOM 0 HG23 VAL A 117 124.355 -2.586 -10.378 1.00 2.90 H new ATOM 1696 N THR A 118 122.149 1.538 -11.444 1.00 2.52 N ATOM 1697 CA THR A 118 121.282 2.744 -11.511 1.00 2.61 C ATOM 1698 C THR A 118 119.860 2.411 -11.068 1.00 2.56 C ATOM 1699 O THR A 118 118.904 2.582 -11.797 1.00 2.90 O ATOM 1700 CB THR A 118 121.305 3.319 -12.929 1.00 3.07 C ATOM 1701 OG1 THR A 118 120.376 4.391 -13.017 1.00 3.29 O ATOM 1702 CG2 THR A 118 120.944 2.243 -13.960 1.00 3.36 C ATOM 0 H THR A 118 123.107 1.731 -11.152 1.00 2.52 H new ATOM 0 HA THR A 118 121.668 3.500 -10.827 1.00 2.61 H new ATOM 0 HB THR A 118 122.311 3.679 -13.143 1.00 3.07 H new ATOM 0 HG1 THR A 118 119.470 4.053 -12.856 1.00 3.29 H new ATOM 0 HG21 THR A 118 120.967 2.675 -14.960 1.00 3.36 H new ATOM 0 HG22 THR A 118 121.664 1.426 -13.901 1.00 3.36 H new ATOM 0 HG23 THR A 118 119.944 1.861 -13.753 1.00 3.36 H new ATOM 1710 N SER A 119 119.725 1.947 -9.857 1.00 2.30 N ATOM 1711 CA SER A 119 118.382 1.603 -9.322 1.00 2.48 C ATOM 1712 C SER A 119 117.901 0.290 -9.943 1.00 2.56 C ATOM 1713 O SER A 119 117.264 -0.477 -9.240 1.00 2.75 O ATOM 1714 CB SER A 119 117.394 2.729 -9.653 1.00 3.01 C ATOM 1715 OG SER A 119 116.727 2.429 -10.873 1.00 3.39 O ATOM 1716 OXT SER A 119 118.178 0.073 -11.112 1.00 2.94 O ATOM 0 H SER A 119 120.498 1.790 -9.210 1.00 2.30 H new ATOM 0 HA SER A 119 118.442 1.485 -8.240 1.00 2.48 H new ATOM 0 HB2 SER A 119 116.669 2.840 -8.847 1.00 3.01 H new ATOM 0 HB3 SER A 119 117.923 3.678 -9.739 1.00 3.01 H new ATOM 0 HG SER A 119 117.384 2.149 -11.544 1.00 3.39 H new TER 1722 SER A 119 ATOM 1723 N MET B 1 125.508 14.260 -12.741 1.00 6.36 N ATOM 1724 CA MET B 1 125.493 15.566 -13.460 1.00 6.04 C ATOM 1725 C MET B 1 124.049 15.952 -13.786 1.00 5.46 C ATOM 1726 O MET B 1 123.796 16.812 -14.606 1.00 5.64 O ATOM 1727 CB MET B 1 126.293 15.442 -14.759 1.00 6.48 C ATOM 1728 CG MET B 1 125.667 14.364 -15.643 1.00 6.99 C ATOM 1729 SD MET B 1 126.809 13.942 -16.982 1.00 7.68 S ATOM 1730 CE MET B 1 126.073 12.346 -17.412 1.00 8.49 C ATOM 0 H1 MET B 1 126.438 13.810 -12.858 1.00 6.36 H new ATOM 0 H2 MET B 1 125.325 14.418 -11.730 1.00 6.36 H new ATOM 0 H3 MET B 1 124.771 13.639 -13.133 1.00 6.36 H new ATOM 0 HA MET B 1 125.941 16.334 -12.829 1.00 6.04 H new ATOM 0 HB2 MET B 1 126.304 16.397 -15.284 1.00 6.48 H new ATOM 0 HB3 MET B 1 127.330 15.189 -14.537 1.00 6.48 H new ATOM 0 HG2 MET B 1 125.442 13.478 -15.050 1.00 6.99 H new ATOM 0 HG3 MET B 1 124.723 14.720 -16.055 1.00 6.99 H new ATOM 0 HE1 MET B 1 126.631 11.898 -18.234 1.00 8.49 H new ATOM 0 HE2 MET B 1 126.108 11.684 -16.546 1.00 8.49 H new ATOM 0 HE3 MET B 1 125.036 12.493 -17.715 1.00 8.49 H new ATOM 1742 N ALA B 2 123.099 15.323 -13.151 1.00 5.16 N ATOM 1743 CA ALA B 2 121.673 15.655 -13.425 1.00 4.97 C ATOM 1744 C ALA B 2 120.778 14.913 -12.430 1.00 4.52 C ATOM 1745 O ALA B 2 121.070 13.806 -12.024 1.00 4.69 O ATOM 1746 CB ALA B 2 121.314 15.229 -14.850 1.00 5.53 C ATOM 0 H ALA B 2 123.249 14.593 -12.454 1.00 5.16 H new ATOM 0 HA ALA B 2 121.523 16.729 -13.319 1.00 4.97 H new ATOM 0 HB1 ALA B 2 120.270 15.472 -15.050 1.00 5.53 H new ATOM 0 HB2 ALA B 2 121.952 15.756 -15.559 1.00 5.53 H new ATOM 0 HB3 ALA B 2 121.463 14.155 -14.957 1.00 5.53 H new ATOM 1752 N SER B 3 119.690 15.514 -12.034 1.00 4.40 N ATOM 1753 CA SER B 3 118.779 14.841 -11.065 1.00 4.40 C ATOM 1754 C SER B 3 119.593 14.328 -9.876 1.00 3.85 C ATOM 1755 O SER B 3 119.851 13.147 -9.751 1.00 3.91 O ATOM 1756 CB SER B 3 118.083 13.667 -11.752 1.00 5.06 C ATOM 1757 OG SER B 3 119.019 12.615 -11.949 1.00 5.43 O ATOM 0 H SER B 3 119.392 16.441 -12.339 1.00 4.40 H new ATOM 0 HA SER B 3 118.030 15.551 -10.714 1.00 4.40 H new ATOM 0 HB2 SER B 3 117.249 13.318 -11.144 1.00 5.06 H new ATOM 0 HB3 SER B 3 117.669 13.984 -12.709 1.00 5.06 H new ATOM 0 HG SER B 3 119.848 12.821 -11.469 1.00 5.43 H new ATOM 1763 N LYS B 4 120.001 15.206 -9.002 1.00 3.85 N ATOM 1764 CA LYS B 4 120.800 14.769 -7.823 1.00 3.83 C ATOM 1765 C LYS B 4 119.932 13.843 -6.945 1.00 3.53 C ATOM 1766 O LYS B 4 118.733 14.027 -6.890 1.00 3.55 O ATOM 1767 CB LYS B 4 121.210 16.005 -7.013 1.00 4.32 C ATOM 1768 CG LYS B 4 121.708 17.097 -7.963 1.00 4.99 C ATOM 1769 CD LYS B 4 122.293 18.254 -7.151 1.00 5.68 C ATOM 1770 CE LYS B 4 122.481 19.471 -8.059 1.00 6.49 C ATOM 1771 NZ LYS B 4 123.439 19.134 -9.149 1.00 6.87 N ATOM 0 H LYS B 4 119.816 16.208 -9.053 1.00 3.85 H new ATOM 0 HA LYS B 4 121.691 14.234 -8.151 1.00 3.83 H new ATOM 0 HB2 LYS B 4 120.362 16.371 -6.434 1.00 4.32 H new ATOM 0 HB3 LYS B 4 121.993 15.743 -6.301 1.00 4.32 H new ATOM 0 HG2 LYS B 4 122.464 16.692 -8.635 1.00 4.99 H new ATOM 0 HG3 LYS B 4 120.887 17.454 -8.585 1.00 4.99 H new ATOM 0 HD2 LYS B 4 121.629 18.504 -6.323 1.00 5.68 H new ATOM 0 HD3 LYS B 4 123.248 17.960 -6.716 1.00 5.68 H new ATOM 0 HE2 LYS B 4 121.523 19.773 -8.483 1.00 6.49 H new ATOM 0 HE3 LYS B 4 122.855 20.316 -7.480 1.00 6.49 H new ATOM 0 HZ1 LYS B 4 123.711 20.002 -9.653 1.00 6.87 H new ATOM 0 HZ2 LYS B 4 124.287 18.690 -8.741 1.00 6.87 H new ATOM 0 HZ3 LYS B 4 122.989 18.474 -9.815 1.00 6.87 H new ATOM 1785 N PRO B 5 120.537 12.877 -6.271 1.00 3.77 N ATOM 1786 CA PRO B 5 119.769 11.961 -5.404 1.00 3.94 C ATOM 1787 C PRO B 5 118.997 12.769 -4.349 1.00 3.23 C ATOM 1788 O PRO B 5 118.736 13.943 -4.521 1.00 3.53 O ATOM 1789 CB PRO B 5 120.829 11.041 -4.750 1.00 4.81 C ATOM 1790 CG PRO B 5 122.226 11.511 -5.251 1.00 5.16 C ATOM 1791 CD PRO B 5 121.994 12.615 -6.306 1.00 4.43 C ATOM 0 HA PRO B 5 119.029 11.379 -5.954 1.00 3.94 H new ATOM 0 HB2 PRO B 5 120.771 11.101 -3.663 1.00 4.81 H new ATOM 0 HB3 PRO B 5 120.654 10.000 -5.022 1.00 4.81 H new ATOM 0 HG2 PRO B 5 122.822 11.892 -4.422 1.00 5.16 H new ATOM 0 HG3 PRO B 5 122.778 10.677 -5.684 1.00 5.16 H new ATOM 0 HD2 PRO B 5 122.563 13.514 -6.068 1.00 4.43 H new ATOM 0 HD3 PRO B 5 122.313 12.289 -7.296 1.00 4.43 H new ATOM 1799 N GLU B 6 118.633 12.147 -3.261 1.00 2.80 N ATOM 1800 CA GLU B 6 117.882 12.877 -2.201 1.00 2.51 C ATOM 1801 C GLU B 6 116.489 13.240 -2.736 1.00 1.85 C ATOM 1802 O GLU B 6 116.151 12.937 -3.863 1.00 2.47 O ATOM 1803 CB GLU B 6 118.662 14.154 -1.821 1.00 3.21 C ATOM 1804 CG GLU B 6 118.444 14.497 -0.341 1.00 4.08 C ATOM 1805 CD GLU B 6 119.251 15.745 0.017 1.00 4.34 C ATOM 1806 OE1 GLU B 6 120.379 15.848 -0.436 1.00 4.54 O ATOM 1807 OE2 GLU B 6 118.727 16.578 0.739 1.00 4.78 O ATOM 0 H GLU B 6 118.823 11.165 -3.060 1.00 2.80 H new ATOM 0 HA GLU B 6 117.771 12.252 -1.315 1.00 2.51 H new ATOM 0 HB2 GLU B 6 119.725 14.009 -2.014 1.00 3.21 H new ATOM 0 HB3 GLU B 6 118.335 14.986 -2.445 1.00 3.21 H new ATOM 0 HG2 GLU B 6 117.385 14.668 -0.149 1.00 4.08 H new ATOM 0 HG3 GLU B 6 118.751 13.660 0.286 1.00 4.08 H new ATOM 1814 N LYS B 7 115.681 13.883 -1.937 1.00 1.12 N ATOM 1815 CA LYS B 7 114.315 14.264 -2.398 1.00 0.78 C ATOM 1816 C LYS B 7 113.587 13.025 -2.925 1.00 0.62 C ATOM 1817 O LYS B 7 113.231 12.951 -4.085 1.00 0.97 O ATOM 1818 CB LYS B 7 114.420 15.307 -3.520 1.00 1.25 C ATOM 1819 CG LYS B 7 115.201 16.543 -3.033 1.00 1.74 C ATOM 1820 CD LYS B 7 114.259 17.529 -2.315 1.00 2.62 C ATOM 1821 CE LYS B 7 113.250 18.147 -3.306 1.00 3.29 C ATOM 1822 NZ LYS B 7 111.962 17.401 -3.231 1.00 4.09 N ATOM 0 H LYS B 7 115.909 14.162 -0.983 1.00 1.12 H new ATOM 0 HA LYS B 7 113.759 14.686 -1.561 1.00 0.78 H new ATOM 0 HB2 LYS B 7 114.920 14.871 -4.385 1.00 1.25 H new ATOM 0 HB3 LYS B 7 113.422 15.604 -3.844 1.00 1.25 H new ATOM 0 HG2 LYS B 7 115.997 16.234 -2.356 1.00 1.74 H new ATOM 0 HG3 LYS B 7 115.677 17.037 -3.880 1.00 1.74 H new ATOM 0 HD2 LYS B 7 113.723 17.012 -1.519 1.00 2.62 H new ATOM 0 HD3 LYS B 7 114.844 18.320 -1.844 1.00 2.62 H new ATOM 0 HE2 LYS B 7 113.088 19.199 -3.069 1.00 3.29 H new ATOM 0 HE3 LYS B 7 113.648 18.106 -4.320 1.00 3.29 H new ATOM 0 HZ1 LYS B 7 111.726 17.021 -4.170 1.00 4.09 H new ATOM 0 HZ2 LYS B 7 112.054 16.617 -2.553 1.00 4.09 H new ATOM 0 HZ3 LYS B 7 111.207 18.043 -2.917 1.00 4.09 H new ATOM 1836 N ARG B 8 113.353 12.053 -2.081 1.00 0.48 N ATOM 1837 CA ARG B 8 112.641 10.822 -2.525 1.00 0.50 C ATOM 1838 C ARG B 8 111.176 10.940 -2.120 1.00 0.48 C ATOM 1839 O ARG B 8 110.778 11.883 -1.466 1.00 0.96 O ATOM 1840 CB ARG B 8 113.251 9.606 -1.828 1.00 0.67 C ATOM 1841 CG ARG B 8 114.777 9.638 -1.967 1.00 0.80 C ATOM 1842 CD ARG B 8 115.394 8.510 -1.137 1.00 1.18 C ATOM 1843 NE ARG B 8 116.837 8.802 -0.908 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.483 8.180 0.037 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.858 7.330 0.800 1.00 3.04 N ATOM 1846 NH2 ARG B 8 118.753 8.416 0.226 1.00 2.64 N ATOM 0 H ARG B 8 113.627 12.061 -1.099 1.00 0.48 H new ATOM 0 HA ARG B 8 112.730 10.707 -3.605 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.973 9.602 -0.774 1.00 0.67 H new ATOM 0 HB3 ARG B 8 112.856 8.689 -2.265 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.059 9.528 -3.014 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.162 10.601 -1.633 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.874 8.418 -0.184 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.281 7.558 -1.655 1.00 1.18 H new ATOM 0 HE ARG B 8 117.318 9.488 -1.490 1.00 1.76 H new ATOM 0 HH11 ARG B 8 115.864 7.152 0.657 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.363 6.842 1.540 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.241 9.088 -0.367 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.258 7.928 0.966 1.00 2.64 H new ATOM 1860 N VAL B 9 110.373 9.986 -2.482 1.00 0.42 N ATOM 1861 CA VAL B 9 108.942 10.044 -2.092 1.00 0.36 C ATOM 1862 C VAL B 9 108.868 10.221 -0.570 1.00 0.28 C ATOM 1863 O VAL B 9 109.810 9.925 0.138 1.00 0.38 O ATOM 1864 CB VAL B 9 108.268 8.738 -2.518 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.932 8.554 -1.787 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.020 8.763 -4.029 1.00 0.66 C ATOM 0 H VAL B 9 110.644 9.170 -3.030 1.00 0.42 H new ATOM 0 HA VAL B 9 108.432 10.877 -2.576 1.00 0.36 H new ATOM 0 HB VAL B 9 108.925 7.907 -2.261 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.469 7.619 -2.104 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.107 8.526 -0.711 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.269 9.386 -2.025 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.540 7.833 -4.334 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.373 9.604 -4.278 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.970 8.869 -4.552 1.00 0.66 H new ATOM 1876 N ALA B 10 107.763 10.713 -0.068 1.00 0.27 N ATOM 1877 CA ALA B 10 107.622 10.929 1.412 1.00 0.35 C ATOM 1878 C ALA B 10 106.487 10.065 1.960 1.00 0.26 C ATOM 1879 O ALA B 10 105.460 9.900 1.333 1.00 0.40 O ATOM 1880 CB ALA B 10 107.299 12.401 1.674 1.00 0.58 C ATOM 0 H ALA B 10 106.946 10.977 -0.619 1.00 0.27 H new ATOM 0 HA ALA B 10 108.554 10.655 1.905 1.00 0.35 H new ATOM 0 HB1 ALA B 10 107.195 12.565 2.747 1.00 0.58 H new ATOM 0 HB2 ALA B 10 108.105 13.025 1.288 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.366 12.663 1.175 1.00 0.58 H new ATOM 1886 N SER B 11 106.663 9.517 3.137 1.00 0.23 N ATOM 1887 CA SER B 11 105.591 8.666 3.741 1.00 0.22 C ATOM 1888 C SER B 11 105.546 8.905 5.252 1.00 0.23 C ATOM 1889 O SER B 11 106.567 8.993 5.907 1.00 0.30 O ATOM 1890 CB SER B 11 105.895 7.195 3.468 1.00 0.36 C ATOM 1891 OG SER B 11 104.777 6.406 3.855 1.00 1.19 O ATOM 0 H SER B 11 107.503 9.622 3.706 1.00 0.23 H new ATOM 0 HA SER B 11 104.628 8.925 3.301 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.111 7.046 2.410 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.782 6.886 4.021 1.00 0.36 H new ATOM 0 HG SER B 11 105.022 5.457 3.831 1.00 1.19 H new ATOM 1897 N SER B 12 104.367 9.011 5.812 1.00 0.27 N ATOM 1898 CA SER B 12 104.244 9.247 7.284 1.00 0.35 C ATOM 1899 C SER B 12 103.071 8.436 7.837 1.00 0.31 C ATOM 1900 O SER B 12 101.967 8.497 7.333 1.00 0.41 O ATOM 1901 CB SER B 12 103.998 10.735 7.540 1.00 0.52 C ATOM 1902 OG SER B 12 103.503 10.908 8.861 1.00 1.38 O ATOM 0 H SER B 12 103.481 8.944 5.311 1.00 0.27 H new ATOM 0 HA SER B 12 105.164 8.937 7.779 1.00 0.35 H new ATOM 0 HB2 SER B 12 104.923 11.296 7.409 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.283 11.127 6.817 1.00 0.52 H new ATOM 0 HG SER B 12 103.346 11.861 9.029 1.00 1.38 H new ATOM 1908 N VAL B 13 103.307 7.676 8.870 1.00 0.27 N ATOM 1909 CA VAL B 13 102.217 6.854 9.464 1.00 0.27 C ATOM 1910 C VAL B 13 102.691 6.278 10.794 1.00 0.32 C ATOM 1911 O VAL B 13 103.870 6.320 11.114 1.00 0.41 O ATOM 1912 CB VAL B 13 101.875 5.708 8.516 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.142 4.911 8.208 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.828 4.789 9.161 1.00 0.41 C ATOM 0 H VAL B 13 104.213 7.589 9.330 1.00 0.27 H new ATOM 0 HA VAL B 13 101.335 7.475 9.623 1.00 0.27 H new ATOM 0 HB VAL B 13 101.466 6.115 7.591 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.901 4.092 7.531 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.878 5.564 7.739 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.552 4.508 9.134 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.589 3.974 8.478 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.226 4.380 10.090 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.924 5.360 9.374 1.00 0.41 H new ATOM 1924 N PHE B 14 101.789 5.732 11.571 1.00 0.36 N ATOM 1925 CA PHE B 14 102.207 5.149 12.877 1.00 0.45 C ATOM 1926 C PHE B 14 101.043 4.503 13.630 1.00 0.34 C ATOM 1927 O PHE B 14 99.969 4.291 13.103 1.00 0.35 O ATOM 1928 CB PHE B 14 102.789 6.233 13.770 1.00 0.59 C ATOM 1929 CG PHE B 14 101.720 7.211 14.216 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.100 8.050 13.282 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.364 7.291 15.570 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.126 8.963 13.700 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.392 8.205 15.986 1.00 1.79 C ATOM 1934 CZ PHE B 14 99.772 9.041 15.052 1.00 1.54 C ATOM 0 H PHE B 14 100.793 5.666 11.359 1.00 0.36 H new ATOM 0 HA PHE B 14 102.947 4.382 12.649 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.255 5.777 14.643 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.573 6.767 13.233 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.374 7.992 12.239 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.842 6.645 16.292 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.647 9.608 12.979 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.120 8.266 17.029 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.020 9.747 15.374 1.00 1.54 H new ATOM 1944 N ILE B 15 101.281 4.197 14.885 1.00 0.34 N ATOM 1945 CA ILE B 15 100.243 3.568 15.741 1.00 0.33 C ATOM 1946 C ILE B 15 100.495 3.993 17.198 1.00 0.31 C ATOM 1947 O ILE B 15 101.500 4.607 17.511 1.00 0.58 O ATOM 1948 CB ILE B 15 100.353 2.042 15.620 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.825 1.651 15.459 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.565 1.554 14.400 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.979 0.142 15.663 1.00 1.25 C ATOM 0 H ILE B 15 102.171 4.363 15.354 1.00 0.34 H new ATOM 0 HA ILE B 15 99.247 3.882 15.430 1.00 0.33 H new ATOM 0 HB ILE B 15 99.943 1.582 16.519 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.181 1.933 14.468 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.437 2.191 16.182 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.649 0.470 14.322 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.516 1.830 14.510 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.968 2.015 13.498 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.027 -0.136 15.548 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.640 -0.126 16.664 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.380 -0.388 14.923 1.00 1.25 H new ATOM 1963 N THR B 16 99.596 3.674 18.095 1.00 0.35 N ATOM 1964 CA THR B 16 99.792 4.066 19.526 1.00 0.47 C ATOM 1965 C THR B 16 99.230 2.980 20.445 1.00 0.31 C ATOM 1966 O THR B 16 98.256 2.325 20.128 1.00 0.35 O ATOM 1967 CB THR B 16 99.061 5.383 19.796 1.00 0.75 C ATOM 1968 OG1 THR B 16 97.658 5.163 19.746 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.456 6.414 18.739 1.00 1.40 C ATOM 0 H THR B 16 98.737 3.160 17.900 1.00 0.35 H new ATOM 0 HA THR B 16 100.857 4.187 19.721 1.00 0.47 H new ATOM 0 HB THR B 16 99.335 5.756 20.783 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.188 6.005 19.920 1.00 1.61 H new ATOM 0 HG21 THR B 16 98.935 7.351 18.932 1.00 1.40 H new ATOM 0 HG22 THR B 16 100.532 6.582 18.779 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.183 6.044 17.750 1.00 1.40 H new ATOM 1977 N LEU B 17 99.837 2.788 21.589 1.00 0.39 N ATOM 1978 CA LEU B 17 99.345 1.750 22.545 1.00 0.44 C ATOM 1979 C LEU B 17 98.465 2.419 23.605 1.00 0.31 C ATOM 1980 O LEU B 17 98.822 3.433 24.171 1.00 0.54 O ATOM 1981 CB LEU B 17 100.541 1.077 23.226 1.00 0.72 C ATOM 1982 CG LEU B 17 101.613 0.752 22.182 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.735 -0.057 22.838 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.993 -0.067 21.045 1.00 1.32 C ATOM 0 H LEU B 17 100.656 3.308 21.903 1.00 0.39 H new ATOM 0 HA LEU B 17 98.765 1.000 22.007 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.953 1.734 23.992 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.220 0.164 23.728 1.00 0.72 H new ATOM 0 HG LEU B 17 102.019 1.680 21.780 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.499 -0.289 22.095 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.179 0.525 23.646 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.327 -0.984 23.241 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.758 -0.297 20.303 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.585 -0.995 21.446 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.194 0.508 20.576 1.00 1.32 H new ATOM 1996 N ALA B 18 97.315 1.861 23.876 1.00 0.52 N ATOM 1997 CA ALA B 18 96.409 2.465 24.897 1.00 0.66 C ATOM 1998 C ALA B 18 95.561 1.364 25.551 1.00 0.98 C ATOM 1999 O ALA B 18 94.365 1.315 25.345 1.00 1.45 O ATOM 2000 CB ALA B 18 95.483 3.472 24.214 1.00 0.88 C ATOM 0 H ALA B 18 96.963 1.012 23.434 1.00 0.52 H new ATOM 0 HA ALA B 18 97.005 2.966 25.660 1.00 0.66 H new ATOM 0 HB1 ALA B 18 94.819 3.916 24.955 1.00 0.88 H new ATOM 0 HB2 ALA B 18 96.079 4.255 23.745 1.00 0.88 H new ATOM 0 HB3 ALA B 18 94.890 2.964 23.454 1.00 0.88 H new ATOM 2006 N PRO B 19 96.197 0.507 26.323 1.00 0.94 N ATOM 2007 CA PRO B 19 95.482 -0.592 27.000 1.00 1.27 C ATOM 2008 C PRO B 19 94.413 -0.001 27.942 1.00 1.36 C ATOM 2009 O PRO B 19 94.393 1.194 28.159 1.00 1.39 O ATOM 2010 CB PRO B 19 96.581 -1.356 27.780 1.00 1.43 C ATOM 2011 CG PRO B 19 97.945 -0.676 27.459 1.00 1.50 C ATOM 2012 CD PRO B 19 97.653 0.559 26.579 1.00 1.03 C ATOM 0 HA PRO B 19 94.957 -1.257 26.314 1.00 1.27 H new ATOM 0 HB2 PRO B 19 96.381 -1.327 28.851 1.00 1.43 H new ATOM 0 HB3 PRO B 19 96.598 -2.406 27.488 1.00 1.43 H new ATOM 0 HG2 PRO B 19 98.452 -0.381 28.378 1.00 1.50 H new ATOM 0 HG3 PRO B 19 98.606 -1.369 26.939 1.00 1.50 H new ATOM 0 HD2 PRO B 19 97.932 1.482 27.088 1.00 1.03 H new ATOM 0 HD3 PRO B 19 98.219 0.524 25.648 1.00 1.03 H new ATOM 2020 N PRO B 20 93.554 -0.845 28.477 1.00 1.82 N ATOM 2021 CA PRO B 20 92.493 -0.381 29.391 1.00 2.19 C ATOM 2022 C PRO B 20 93.117 0.373 30.575 1.00 2.03 C ATOM 2023 O PRO B 20 94.226 0.864 30.495 1.00 2.30 O ATOM 2024 CB PRO B 20 91.769 -1.671 29.851 1.00 2.76 C ATOM 2025 CG PRO B 20 92.450 -2.872 29.129 1.00 2.86 C ATOM 2026 CD PRO B 20 93.566 -2.303 28.224 1.00 2.30 C ATOM 0 HA PRO B 20 91.798 0.312 28.918 1.00 2.19 H new ATOM 0 HB2 PRO B 20 91.838 -1.785 30.933 1.00 2.76 H new ATOM 0 HB3 PRO B 20 90.709 -1.625 29.602 1.00 2.76 H new ATOM 0 HG2 PRO B 20 92.865 -3.570 29.856 1.00 2.86 H new ATOM 0 HG3 PRO B 20 91.721 -3.425 28.536 1.00 2.86 H new ATOM 0 HD2 PRO B 20 94.534 -2.739 28.469 1.00 2.30 H new ATOM 0 HD3 PRO B 20 93.374 -2.524 27.174 1.00 2.30 H new ATOM 2034 N ARG B 21 92.412 0.468 31.672 1.00 2.36 N ATOM 2035 CA ARG B 21 92.958 1.189 32.861 1.00 2.57 C ATOM 2036 C ARG B 21 92.504 0.477 34.137 1.00 2.31 C ATOM 2037 O ARG B 21 92.070 -0.657 34.104 1.00 2.48 O ATOM 2038 CB ARG B 21 92.442 2.636 32.873 1.00 3.03 C ATOM 2039 CG ARG B 21 90.910 2.666 32.663 1.00 3.84 C ATOM 2040 CD ARG B 21 90.576 2.832 31.173 1.00 4.42 C ATOM 2041 NE ARG B 21 90.683 4.271 30.800 1.00 4.90 N ATOM 2042 CZ ARG B 21 90.740 4.615 29.543 1.00 5.50 C ATOM 2043 NH1 ARG B 21 90.698 3.700 28.613 1.00 5.76 N ATOM 2044 NH2 ARG B 21 90.839 5.874 29.215 1.00 6.12 N ATOM 0 H ARG B 21 91.479 0.076 31.796 1.00 2.36 H new ATOM 0 HA ARG B 21 94.047 1.196 32.811 1.00 2.57 H new ATOM 0 HB2 ARG B 21 92.694 3.111 33.821 1.00 3.03 H new ATOM 0 HB3 ARG B 21 92.934 3.210 32.088 1.00 3.03 H new ATOM 0 HG2 ARG B 21 90.467 1.745 33.041 1.00 3.84 H new ATOM 0 HG3 ARG B 21 90.475 3.487 33.233 1.00 3.84 H new ATOM 0 HD2 ARG B 21 91.259 2.236 30.567 1.00 4.42 H new ATOM 0 HD3 ARG B 21 89.569 2.466 30.972 1.00 4.42 H new ATOM 0 HE ARG B 21 90.712 4.986 31.527 1.00 4.90 H new ATOM 0 HH11 ARG B 21 90.621 2.716 28.869 1.00 5.76 H new ATOM 0 HH12 ARG B 21 90.743 3.969 27.630 1.00 5.76 H new ATOM 0 HH21 ARG B 21 90.872 6.589 29.941 1.00 6.12 H new ATOM 0 HH22 ARG B 21 90.884 6.143 28.232 1.00 6.12 H new ATOM 2058 N ARG B 22 92.601 1.132 35.263 1.00 2.49 N ATOM 2059 CA ARG B 22 92.178 0.493 36.543 1.00 2.63 C ATOM 2060 C ARG B 22 91.733 1.576 37.528 1.00 3.03 C ATOM 2061 O ARG B 22 92.483 2.469 37.865 1.00 3.54 O ATOM 2062 CB ARG B 22 93.358 -0.288 37.132 1.00 3.15 C ATOM 2063 CG ARG B 22 94.511 0.675 37.460 1.00 3.73 C ATOM 2064 CD ARG B 22 95.835 -0.093 37.514 1.00 4.34 C ATOM 2065 NE ARG B 22 95.637 -1.378 38.241 1.00 4.97 N ATOM 2066 CZ ARG B 22 96.537 -2.320 38.156 1.00 5.65 C ATOM 2067 NH1 ARG B 22 97.609 -2.134 37.435 1.00 6.29 N ATOM 2068 NH2 ARG B 22 96.365 -3.446 38.792 1.00 5.95 N ATOM 0 H ARG B 22 92.956 2.084 35.352 1.00 2.49 H new ATOM 0 HA ARG B 22 91.348 -0.189 36.358 1.00 2.63 H new ATOM 0 HB2 ARG B 22 93.044 -0.814 38.034 1.00 3.15 H new ATOM 0 HB3 ARG B 22 93.695 -1.045 36.423 1.00 3.15 H new ATOM 0 HG2 ARG B 22 94.567 1.459 36.705 1.00 3.73 H new ATOM 0 HG3 ARG B 22 94.326 1.165 38.416 1.00 3.73 H new ATOM 0 HD2 ARG B 22 96.196 -0.287 36.504 1.00 4.34 H new ATOM 0 HD3 ARG B 22 96.595 0.507 38.015 1.00 4.34 H new ATOM 0 HE ARG B 22 94.799 -1.522 38.805 1.00 4.97 H new ATOM 0 HH11 ARG B 22 97.743 -1.253 36.938 1.00 6.29 H new ATOM 0 HH12 ARG B 22 98.313 -2.869 37.368 1.00 6.29 H new ATOM 0 HH21 ARG B 22 95.527 -3.591 39.356 1.00 5.95 H new ATOM 0 HH22 ARG B 22 97.068 -4.182 38.725 1.00 5.95 H new ATOM 2082 N ASP B 23 90.514 1.506 37.990 1.00 3.45 N ATOM 2083 CA ASP B 23 90.019 2.532 38.951 1.00 4.32 C ATOM 2084 C ASP B 23 88.614 2.153 39.422 1.00 4.48 C ATOM 2085 O ASP B 23 87.706 1.990 38.630 1.00 4.75 O ATOM 2086 CB ASP B 23 89.971 3.898 38.263 1.00 5.13 C ATOM 2087 CG ASP B 23 89.267 3.764 36.911 1.00 5.30 C ATOM 2088 OD1 ASP B 23 89.588 2.836 36.188 1.00 5.62 O ATOM 2089 OD2 ASP B 23 88.419 4.592 36.623 1.00 5.51 O ATOM 0 H ASP B 23 89.839 0.782 37.743 1.00 3.45 H new ATOM 0 HA ASP B 23 90.692 2.579 39.807 1.00 4.32 H new ATOM 0 HB2 ASP B 23 89.442 4.615 38.891 1.00 5.13 H new ATOM 0 HB3 ASP B 23 90.981 4.282 38.122 1.00 5.13 H new ATOM 2094 N VAL B 24 88.426 2.012 40.705 1.00 4.81 N ATOM 2095 CA VAL B 24 87.078 1.644 41.223 1.00 5.43 C ATOM 2096 C VAL B 24 87.055 1.807 42.744 1.00 5.81 C ATOM 2097 O VAL B 24 85.985 2.053 43.277 1.00 6.21 O ATOM 2098 CB VAL B 24 86.770 0.190 40.861 1.00 5.94 C ATOM 2099 CG1 VAL B 24 87.771 -0.733 41.558 1.00 6.48 C ATOM 2100 CG2 VAL B 24 85.352 -0.158 41.319 1.00 6.36 C ATOM 2101 OXT VAL B 24 88.107 1.684 43.349 1.00 6.07 O ATOM 0 H VAL B 24 89.146 2.135 41.416 1.00 4.81 H new ATOM 0 HA VAL B 24 86.327 2.295 40.776 1.00 5.43 H new ATOM 0 HB VAL B 24 86.847 0.060 39.782 1.00 5.94 H new ATOM 0 HG11 VAL B 24 87.551 -1.769 41.300 1.00 6.48 H new ATOM 0 HG12 VAL B 24 88.782 -0.485 41.234 1.00 6.48 H new ATOM 0 HG13 VAL B 24 87.694 -0.604 42.638 1.00 6.48 H new ATOM 0 HG21 VAL B 24 85.131 -1.194 41.062 1.00 6.36 H new ATOM 0 HG22 VAL B 24 85.276 -0.028 42.399 1.00 6.36 H new ATOM 0 HG23 VAL B 24 84.638 0.500 40.823 1.00 6.36 H new TER 2111 VAL B 24