USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1096 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 124 MET CE :methyl -118:sc= -0.0185 (180deg=0) USER MOD Set 1.2: A 148 LYS NZ :NH3+ -143:sc= 1.05 (180deg=0.335) USER MOD Set 2.1: A 41 GLN : amide:sc= -2.88! C(o=-3.1!,f=-5.8!) USER MOD Set 2.2: A 72 MET CE :methyl -162:sc= -0.25 (180deg=-0.0169) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.022 USER MOD Set 3.2: A 8 GLN : amide:sc= 0.24 K(o=0.26,f=-3.8!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0684 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -58:sc= 0.181 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0284 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -91:sc= 0.972 USER MOD Single : A 42 ASN : amide:sc= -0.718 K(o=-0.72,f=-2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 49 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.14) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.0506 X(o=0.051,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.88 K(o=-0.88,f=-0.043) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -156:sc= -0.125 (180deg=-1.19) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc=-0.000904 (180deg=-0.105) USER MOD Single : A 76 MET CE :methyl 180:sc= -0.179 (180deg=-0.179) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -6:sc= 0.885 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.828 K(o=-0.83,f=-3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -84:sc= 0.463 USER MOD Single : A 107 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 109 MET CE :methyl -169:sc= -2.34 (180deg=-2.8) USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= -0.037 (180deg=-0.46) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.3!) USER MOD Single : A 137 ASN : amide:sc= -4.56! C(o=-4.6!,f=-5.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.45) USER MOD Single : A 144 MET CE :methyl 165:sc= -0.165 (180deg=-0.204) USER MOD Single : A 145 MET CE :methyl -150:sc= -1.22 (180deg=-4.62!) USER MOD Single : A 146 THR OG1 : rot -79:sc= -0.596 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.138 15.035 -8.336 1.00 2.61 N ATOM 2 CA ALA A 1 14.537 13.790 -8.895 1.00 2.13 C ATOM 3 C ALA A 1 13.184 13.531 -8.226 1.00 1.46 C ATOM 4 O ALA A 1 12.922 13.996 -7.134 1.00 1.95 O ATOM 5 CB ALA A 1 15.474 12.611 -8.627 1.00 3.35 C ATOM 0 H1 ALA A 1 15.172 15.766 -9.075 1.00 2.61 H new ATOM 0 H2 ALA A 1 14.559 15.373 -7.541 1.00 2.61 H new ATOM 0 H3 ALA A 1 16.102 14.835 -8.002 1.00 2.61 H new ATOM 0 HA ALA A 1 14.393 13.904 -9.969 1.00 2.13 H new ATOM 0 HB1 ALA A 1 15.037 11.699 -9.035 1.00 3.35 H new ATOM 0 HB2 ALA A 1 16.437 12.796 -9.103 1.00 3.35 H new ATOM 0 HB3 ALA A 1 15.616 12.496 -7.552 1.00 3.35 H new ATOM 13 N ASP A 2 12.319 12.793 -8.874 1.00 0.80 N ATOM 14 CA ASP A 2 10.979 12.497 -8.282 1.00 0.45 C ATOM 15 C ASP A 2 10.545 11.104 -8.706 1.00 0.45 C ATOM 16 O ASP A 2 9.388 10.739 -8.641 1.00 1.05 O ATOM 17 CB ASP A 2 9.964 13.514 -8.790 1.00 0.90 C ATOM 18 CG ASP A 2 10.233 14.878 -8.154 1.00 1.73 C ATOM 19 OD1 ASP A 2 9.702 15.126 -7.082 1.00 1.66 O ATOM 20 OD2 ASP A 2 10.963 15.654 -8.746 1.00 2.83 O ATOM 0 H ASP A 2 12.484 12.381 -9.792 1.00 0.80 H new ATOM 0 HA ASP A 2 11.038 12.552 -7.195 1.00 0.45 H new ATOM 0 HB2 ASP A 2 10.025 13.591 -9.876 1.00 0.90 H new ATOM 0 HB3 ASP A 2 8.953 13.184 -8.550 1.00 0.90 H new ATOM 25 N GLN A 3 11.485 10.330 -9.139 1.00 0.39 N ATOM 26 CA GLN A 3 11.194 8.933 -9.585 1.00 0.26 C ATOM 27 C GLN A 3 11.557 7.951 -8.470 1.00 0.24 C ATOM 28 O GLN A 3 12.442 8.201 -7.675 1.00 0.32 O ATOM 29 CB GLN A 3 11.997 8.609 -10.846 1.00 0.30 C ATOM 30 CG GLN A 3 13.473 8.569 -10.494 1.00 2.66 C ATOM 31 CD GLN A 3 14.312 8.595 -11.773 1.00 2.58 C ATOM 32 OE1 GLN A 3 14.620 7.564 -12.335 1.00 2.91 O ATOM 33 NE2 GLN A 3 14.694 9.743 -12.261 1.00 2.74 N ATOM 0 H GLN A 3 12.465 10.603 -9.208 1.00 0.39 H new ATOM 0 HA GLN A 3 10.131 8.844 -9.810 1.00 0.26 H new ATOM 0 HB2 GLN A 3 11.682 7.650 -11.257 1.00 0.30 H new ATOM 0 HB3 GLN A 3 11.813 9.361 -11.613 1.00 0.30 H new ATOM 0 HG2 GLN A 3 13.729 9.420 -9.863 1.00 2.66 H new ATOM 0 HG3 GLN A 3 13.695 7.669 -9.921 1.00 2.66 H new ATOM 0 HE21 GLN A 3 14.435 10.609 -11.789 1.00 2.74 H new ATOM 0 HE22 GLN A 3 15.251 9.774 -13.115 1.00 2.74 H new ATOM 42 N LEU A 4 10.882 6.837 -8.404 1.00 0.22 N ATOM 43 CA LEU A 4 11.190 5.841 -7.339 1.00 0.22 C ATOM 44 C LEU A 4 12.470 5.088 -7.715 1.00 0.21 C ATOM 45 O LEU A 4 12.555 4.478 -8.761 1.00 0.23 O ATOM 46 CB LEU A 4 10.036 4.836 -7.217 1.00 0.20 C ATOM 47 CG LEU A 4 8.701 5.571 -7.006 1.00 0.15 C ATOM 48 CD1 LEU A 4 7.544 4.635 -7.354 1.00 0.17 C ATOM 49 CD2 LEU A 4 8.562 6.002 -5.543 1.00 0.08 C ATOM 0 H LEU A 4 10.131 6.573 -9.041 1.00 0.22 H new ATOM 0 HA LEU A 4 11.323 6.357 -6.388 1.00 0.22 H new ATOM 0 HB2 LEU A 4 9.982 4.224 -8.117 1.00 0.20 H new ATOM 0 HB3 LEU A 4 10.222 4.160 -6.382 1.00 0.20 H new ATOM 0 HG LEU A 4 8.679 6.451 -7.649 1.00 0.15 H new ATOM 0 HD11 LEU A 4 6.598 5.155 -7.205 1.00 0.17 H new ATOM 0 HD12 LEU A 4 7.627 4.325 -8.396 1.00 0.17 H new ATOM 0 HD13 LEU A 4 7.581 3.756 -6.710 1.00 0.17 H new ATOM 0 HD21 LEU A 4 7.614 6.521 -5.405 1.00 0.08 H new ATOM 0 HD22 LEU A 4 8.591 5.122 -4.900 1.00 0.08 H new ATOM 0 HD23 LEU A 4 9.383 6.670 -5.281 1.00 0.08 H new ATOM 61 N THR A 5 13.467 5.123 -6.871 1.00 0.23 N ATOM 62 CA THR A 5 14.733 4.405 -7.193 1.00 0.24 C ATOM 63 C THR A 5 14.491 2.896 -7.123 1.00 0.22 C ATOM 64 O THR A 5 13.574 2.436 -6.472 1.00 0.21 O ATOM 65 CB THR A 5 15.818 4.795 -6.185 1.00 0.31 C ATOM 66 OG1 THR A 5 15.287 4.726 -4.870 1.00 0.28 O ATOM 67 CG2 THR A 5 16.296 6.219 -6.473 1.00 0.41 C ATOM 0 H THR A 5 13.459 5.615 -5.978 1.00 0.23 H new ATOM 0 HA THR A 5 15.059 4.678 -8.197 1.00 0.24 H new ATOM 0 HB THR A 5 16.660 4.108 -6.272 1.00 0.31 H new ATOM 0 HG1 THR A 5 15.981 4.974 -4.224 1.00 0.28 H new ATOM 0 HG21 THR A 5 17.068 6.496 -5.755 1.00 0.41 H new ATOM 0 HG22 THR A 5 16.704 6.269 -7.482 1.00 0.41 H new ATOM 0 HG23 THR A 5 15.457 6.909 -6.387 1.00 0.41 H new ATOM 75 N GLU A 6 15.303 2.119 -7.787 1.00 0.23 N ATOM 76 CA GLU A 6 15.111 0.642 -7.752 1.00 0.23 C ATOM 77 C GLU A 6 15.080 0.169 -6.299 1.00 0.24 C ATOM 78 O GLU A 6 14.379 -0.760 -5.952 1.00 0.23 O ATOM 79 CB GLU A 6 16.256 -0.045 -8.490 1.00 0.25 C ATOM 80 CG GLU A 6 17.565 0.329 -7.813 1.00 1.82 C ATOM 81 CD GLU A 6 18.743 -0.157 -8.663 1.00 2.03 C ATOM 82 OE1 GLU A 6 18.743 0.118 -9.851 1.00 1.42 O ATOM 83 OE2 GLU A 6 19.624 -0.795 -8.110 1.00 2.99 O ATOM 0 H GLU A 6 16.089 2.443 -8.351 1.00 0.23 H new ATOM 0 HA GLU A 6 14.169 0.388 -8.238 1.00 0.23 H new ATOM 0 HB2 GLU A 6 16.119 -1.126 -8.477 1.00 0.25 H new ATOM 0 HB3 GLU A 6 16.270 0.262 -9.536 1.00 0.25 H new ATOM 0 HG2 GLU A 6 17.621 1.409 -7.680 1.00 1.82 H new ATOM 0 HG3 GLU A 6 17.612 -0.117 -6.820 1.00 1.82 H new ATOM 90 N GLU A 7 15.834 0.806 -5.445 1.00 0.28 N ATOM 91 CA GLU A 7 15.846 0.396 -4.013 1.00 0.29 C ATOM 92 C GLU A 7 14.501 0.739 -3.374 1.00 0.26 C ATOM 93 O GLU A 7 13.859 -0.097 -2.770 1.00 0.28 O ATOM 94 CB GLU A 7 16.960 1.143 -3.276 1.00 0.32 C ATOM 95 CG GLU A 7 18.319 0.754 -3.860 1.00 0.35 C ATOM 96 CD GLU A 7 19.423 1.540 -3.154 1.00 0.57 C ATOM 97 OE1 GLU A 7 19.741 2.624 -3.616 1.00 1.66 O ATOM 98 OE2 GLU A 7 19.932 1.046 -2.161 1.00 0.73 O ATOM 0 H GLU A 7 16.441 1.592 -5.677 1.00 0.28 H new ATOM 0 HA GLU A 7 16.020 -0.678 -3.946 1.00 0.29 H new ATOM 0 HB2 GLU A 7 16.810 2.219 -3.366 1.00 0.32 H new ATOM 0 HB3 GLU A 7 16.929 0.904 -2.213 1.00 0.32 H new ATOM 0 HG2 GLU A 7 18.486 -0.316 -3.738 1.00 0.35 H new ATOM 0 HG3 GLU A 7 18.339 0.960 -4.930 1.00 0.35 H new ATOM 105 N GLN A 8 14.067 1.963 -3.500 1.00 0.24 N ATOM 106 CA GLN A 8 12.762 2.354 -2.896 1.00 0.22 C ATOM 107 C GLN A 8 11.664 1.418 -3.408 1.00 0.18 C ATOM 108 O GLN A 8 10.772 1.038 -2.677 1.00 0.17 O ATOM 109 CB GLN A 8 12.432 3.801 -3.275 1.00 0.25 C ATOM 110 CG GLN A 8 13.286 4.755 -2.437 1.00 0.29 C ATOM 111 CD GLN A 8 13.064 6.193 -2.910 1.00 0.28 C ATOM 112 OE1 GLN A 8 12.943 6.443 -4.092 1.00 0.48 O ATOM 113 NE2 GLN A 8 13.008 7.155 -2.031 1.00 0.28 N ATOM 0 H GLN A 8 14.558 2.708 -3.994 1.00 0.24 H new ATOM 0 HA GLN A 8 12.825 2.276 -1.811 1.00 0.22 H new ATOM 0 HB2 GLN A 8 12.622 3.963 -4.336 1.00 0.25 H new ATOM 0 HB3 GLN A 8 11.374 4.000 -3.107 1.00 0.25 H new ATOM 0 HG2 GLN A 8 13.023 4.664 -1.383 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.340 4.490 -2.527 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.110 6.945 -1.038 1.00 0.28 H new ATOM 0 HE22 GLN A 8 12.863 8.117 -2.337 1.00 0.28 H new ATOM 122 N ILE A 9 11.725 1.036 -4.655 1.00 0.16 N ATOM 123 CA ILE A 9 10.684 0.115 -5.195 1.00 0.14 C ATOM 124 C ILE A 9 10.828 -1.247 -4.519 1.00 0.14 C ATOM 125 O ILE A 9 9.859 -1.940 -4.279 1.00 0.18 O ATOM 126 CB ILE A 9 10.866 -0.042 -6.709 1.00 0.14 C ATOM 127 CG1 ILE A 9 10.546 1.288 -7.396 1.00 0.17 C ATOM 128 CG2 ILE A 9 9.921 -1.130 -7.232 1.00 0.15 C ATOM 129 CD1 ILE A 9 10.936 1.210 -8.871 1.00 0.17 C ATOM 0 H ILE A 9 12.445 1.319 -5.319 1.00 0.16 H new ATOM 0 HA ILE A 9 9.694 0.524 -4.996 1.00 0.14 H new ATOM 0 HB ILE A 9 11.896 -0.327 -6.925 1.00 0.14 H new ATOM 0 HG12 ILE A 9 9.483 1.511 -7.302 1.00 0.17 H new ATOM 0 HG13 ILE A 9 11.086 2.100 -6.909 1.00 0.17 H new ATOM 0 HG21 ILE A 9 10.053 -1.239 -8.308 1.00 0.15 H new ATOM 0 HG22 ILE A 9 10.148 -2.076 -6.741 1.00 0.15 H new ATOM 0 HG23 ILE A 9 8.890 -0.849 -7.019 1.00 0.15 H new ATOM 0 HD11 ILE A 9 10.707 2.158 -9.358 1.00 0.17 H new ATOM 0 HD12 ILE A 9 12.004 1.007 -8.955 1.00 0.17 H new ATOM 0 HD13 ILE A 9 10.376 0.409 -9.354 1.00 0.17 H new ATOM 141 N ALA A 10 12.033 -1.639 -4.208 1.00 0.11 N ATOM 142 CA ALA A 10 12.239 -2.955 -3.549 1.00 0.15 C ATOM 143 C ALA A 10 11.800 -2.860 -2.081 1.00 0.13 C ATOM 144 O ALA A 10 11.093 -3.712 -1.589 1.00 0.28 O ATOM 145 CB ALA A 10 13.726 -3.349 -3.645 1.00 0.21 C ATOM 0 H ALA A 10 12.883 -1.103 -4.383 1.00 0.11 H new ATOM 0 HA ALA A 10 11.642 -3.719 -4.047 1.00 0.15 H new ATOM 0 HB1 ALA A 10 13.879 -4.314 -3.162 1.00 0.21 H new ATOM 0 HB2 ALA A 10 14.017 -3.418 -4.693 1.00 0.21 H new ATOM 0 HB3 ALA A 10 14.335 -2.594 -3.148 1.00 0.21 H new ATOM 151 N GLU A 11 12.205 -1.830 -1.380 1.00 0.15 N ATOM 152 CA GLU A 11 11.806 -1.696 0.049 1.00 0.15 C ATOM 153 C GLU A 11 10.296 -1.916 0.177 1.00 0.14 C ATOM 154 O GLU A 11 9.836 -2.655 1.025 1.00 0.15 O ATOM 155 CB GLU A 11 12.192 -0.279 0.546 1.00 0.17 C ATOM 156 CG GLU A 11 13.118 -0.372 1.760 1.00 0.93 C ATOM 157 CD GLU A 11 13.532 1.032 2.203 1.00 1.03 C ATOM 158 OE1 GLU A 11 13.837 1.838 1.340 1.00 1.71 O ATOM 159 OE2 GLU A 11 13.535 1.279 3.398 1.00 1.23 O ATOM 0 H GLU A 11 12.794 -1.078 -1.738 1.00 0.15 H new ATOM 0 HA GLU A 11 12.320 -2.441 0.657 1.00 0.15 H new ATOM 0 HB2 GLU A 11 12.686 0.272 -0.254 1.00 0.17 H new ATOM 0 HB3 GLU A 11 11.293 0.278 0.809 1.00 0.17 H new ATOM 0 HG2 GLU A 11 12.612 -0.887 2.577 1.00 0.93 H new ATOM 0 HG3 GLU A 11 14.001 -0.960 1.511 1.00 0.93 H new ATOM 166 N PHE A 12 9.526 -1.282 -0.656 1.00 0.12 N ATOM 167 CA PHE A 12 8.052 -1.460 -0.577 1.00 0.12 C ATOM 168 C PHE A 12 7.695 -2.882 -1.001 1.00 0.08 C ATOM 169 O PHE A 12 6.709 -3.437 -0.564 1.00 0.04 O ATOM 170 CB PHE A 12 7.357 -0.465 -1.509 1.00 0.12 C ATOM 171 CG PHE A 12 7.873 0.959 -1.324 1.00 0.16 C ATOM 172 CD1 PHE A 12 8.478 1.386 -0.120 1.00 2.25 C ATOM 173 CD2 PHE A 12 7.720 1.872 -2.377 1.00 2.02 C ATOM 174 CE1 PHE A 12 8.920 2.709 0.006 1.00 2.25 C ATOM 175 CE2 PHE A 12 8.160 3.191 -2.240 1.00 2.00 C ATOM 176 CZ PHE A 12 8.760 3.610 -1.052 1.00 0.24 C ATOM 0 H PHE A 12 9.851 -0.649 -1.387 1.00 0.12 H new ATOM 0 HA PHE A 12 7.722 -1.284 0.447 1.00 0.12 H new ATOM 0 HB2 PHE A 12 7.509 -0.773 -2.544 1.00 0.12 H new ATOM 0 HB3 PHE A 12 6.283 -0.487 -1.324 1.00 0.12 H new ATOM 0 HD1 PHE A 12 8.599 0.694 0.700 1.00 2.25 H new ATOM 0 HD2 PHE A 12 7.259 1.554 -3.300 1.00 2.02 H new ATOM 0 HE1 PHE A 12 9.386 3.035 0.924 1.00 2.25 H new ATOM 0 HE2 PHE A 12 8.035 3.888 -3.056 1.00 2.00 H new ATOM 0 HZ PHE A 12 9.101 4.630 -0.949 1.00 0.24 H new ATOM 186 N LYS A 13 8.487 -3.480 -1.844 1.00 0.12 N ATOM 187 CA LYS A 13 8.177 -4.867 -2.275 1.00 0.09 C ATOM 188 C LYS A 13 8.383 -5.818 -1.096 1.00 0.13 C ATOM 189 O LYS A 13 7.589 -6.707 -0.860 1.00 0.17 O ATOM 190 CB LYS A 13 9.090 -5.270 -3.434 1.00 0.03 C ATOM 191 CG LYS A 13 8.741 -6.702 -3.894 1.00 0.09 C ATOM 192 CD LYS A 13 9.146 -6.903 -5.369 1.00 0.05 C ATOM 193 CE LYS A 13 8.009 -6.450 -6.293 1.00 0.20 C ATOM 194 NZ LYS A 13 8.487 -6.446 -7.703 1.00 0.97 N ATOM 0 H LYS A 13 9.329 -3.071 -2.250 1.00 0.12 H new ATOM 0 HA LYS A 13 7.141 -4.920 -2.610 1.00 0.09 H new ATOM 0 HB2 LYS A 13 8.972 -4.572 -4.263 1.00 0.03 H new ATOM 0 HB3 LYS A 13 10.133 -5.221 -3.122 1.00 0.03 H new ATOM 0 HG2 LYS A 13 9.256 -7.429 -3.266 1.00 0.09 H new ATOM 0 HG3 LYS A 13 7.672 -6.879 -3.776 1.00 0.09 H new ATOM 0 HD2 LYS A 13 10.050 -6.335 -5.587 1.00 0.05 H new ATOM 0 HD3 LYS A 13 9.377 -7.953 -5.551 1.00 0.05 H new ATOM 0 HE2 LYS A 13 7.154 -7.118 -6.190 1.00 0.20 H new ATOM 0 HE3 LYS A 13 7.671 -5.453 -6.010 1.00 0.20 H new ATOM 0 HZ1 LYS A 13 7.716 -6.139 -8.330 1.00 0.97 H new ATOM 0 HZ2 LYS A 13 9.290 -5.792 -7.795 1.00 0.97 H new ATOM 0 HZ3 LYS A 13 8.789 -7.405 -7.970 1.00 0.97 H new ATOM 208 N GLU A 14 9.439 -5.640 -0.340 1.00 0.15 N ATOM 209 CA GLU A 14 9.665 -6.542 0.827 1.00 0.21 C ATOM 210 C GLU A 14 8.495 -6.398 1.791 1.00 0.24 C ATOM 211 O GLU A 14 7.950 -7.367 2.281 1.00 0.34 O ATOM 212 CB GLU A 14 10.960 -6.162 1.561 1.00 0.19 C ATOM 213 CG GLU A 14 12.091 -5.945 0.555 1.00 0.22 C ATOM 214 CD GLU A 14 13.451 -6.048 1.258 1.00 0.96 C ATOM 215 OE1 GLU A 14 13.545 -6.786 2.226 1.00 1.13 O ATOM 216 OE2 GLU A 14 14.373 -5.387 0.813 1.00 1.99 O ATOM 0 H GLU A 14 10.145 -4.918 -0.480 1.00 0.15 H new ATOM 0 HA GLU A 14 9.748 -7.569 0.470 1.00 0.21 H new ATOM 0 HB2 GLU A 14 10.803 -5.255 2.145 1.00 0.19 H new ATOM 0 HB3 GLU A 14 11.234 -6.950 2.263 1.00 0.19 H new ATOM 0 HG2 GLU A 14 12.027 -6.687 -0.241 1.00 0.22 H new ATOM 0 HG3 GLU A 14 11.988 -4.966 0.087 1.00 0.22 H new ATOM 223 N ALA A 15 8.111 -5.185 2.072 1.00 0.18 N ATOM 224 CA ALA A 15 6.981 -4.964 3.013 1.00 0.26 C ATOM 225 C ALA A 15 5.672 -5.423 2.371 1.00 0.23 C ATOM 226 O ALA A 15 4.786 -5.912 3.039 1.00 0.38 O ATOM 227 CB ALA A 15 6.887 -3.480 3.373 1.00 0.33 C ATOM 0 H ALA A 15 8.531 -4.338 1.690 1.00 0.18 H new ATOM 0 HA ALA A 15 7.156 -5.542 3.920 1.00 0.26 H new ATOM 0 HB1 ALA A 15 6.057 -3.325 4.063 1.00 0.33 H new ATOM 0 HB2 ALA A 15 7.816 -3.161 3.845 1.00 0.33 H new ATOM 0 HB3 ALA A 15 6.721 -2.896 2.468 1.00 0.33 H new ATOM 233 N PHE A 16 5.542 -5.280 1.084 1.00 0.08 N ATOM 234 CA PHE A 16 4.287 -5.721 0.419 1.00 0.08 C ATOM 235 C PHE A 16 4.204 -7.245 0.466 1.00 0.10 C ATOM 236 O PHE A 16 3.163 -7.814 0.735 1.00 0.11 O ATOM 237 CB PHE A 16 4.284 -5.254 -1.035 1.00 0.07 C ATOM 238 CG PHE A 16 2.910 -5.451 -1.625 1.00 0.06 C ATOM 239 CD1 PHE A 16 2.578 -6.668 -2.236 1.00 0.06 C ATOM 240 CD2 PHE A 16 1.970 -4.414 -1.568 1.00 0.07 C ATOM 241 CE1 PHE A 16 1.305 -6.844 -2.791 1.00 0.07 C ATOM 242 CE2 PHE A 16 0.699 -4.595 -2.120 1.00 0.06 C ATOM 243 CZ PHE A 16 0.369 -5.806 -2.731 1.00 0.06 C ATOM 0 H PHE A 16 6.247 -4.879 0.466 1.00 0.08 H new ATOM 0 HA PHE A 16 3.429 -5.290 0.935 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.568 -4.203 -1.091 1.00 0.07 H new ATOM 0 HB3 PHE A 16 5.022 -5.814 -1.609 1.00 0.07 H new ATOM 0 HD1 PHE A 16 3.302 -7.468 -2.278 1.00 0.06 H new ATOM 0 HD2 PHE A 16 2.227 -3.476 -1.098 1.00 0.07 H new ATOM 0 HE1 PHE A 16 1.046 -7.779 -3.265 1.00 0.07 H new ATOM 0 HE2 PHE A 16 -0.028 -3.798 -2.074 1.00 0.06 H new ATOM 0 HZ PHE A 16 -0.613 -5.942 -3.159 1.00 0.06 H new ATOM 253 N SER A 17 5.291 -7.908 0.206 1.00 0.12 N ATOM 254 CA SER A 17 5.286 -9.397 0.234 1.00 0.15 C ATOM 255 C SER A 17 5.125 -9.886 1.677 1.00 0.17 C ATOM 256 O SER A 17 4.580 -10.941 1.929 1.00 0.15 O ATOM 257 CB SER A 17 6.606 -9.918 -0.336 1.00 0.17 C ATOM 258 OG SER A 17 7.551 -10.059 0.716 1.00 1.16 O ATOM 0 H SER A 17 6.189 -7.483 -0.026 1.00 0.12 H new ATOM 0 HA SER A 17 4.455 -9.768 -0.366 1.00 0.15 H new ATOM 0 HB2 SER A 17 6.449 -10.877 -0.829 1.00 0.17 H new ATOM 0 HB3 SER A 17 6.986 -9.230 -1.091 1.00 0.17 H new ATOM 0 HG SER A 17 7.676 -9.195 1.161 1.00 1.16 H new ATOM 264 N LEU A 18 5.611 -9.131 2.625 1.00 0.23 N ATOM 265 CA LEU A 18 5.500 -9.557 4.049 1.00 0.27 C ATOM 266 C LEU A 18 4.040 -9.909 4.378 1.00 0.26 C ATOM 267 O LEU A 18 3.772 -10.601 5.340 1.00 0.28 O ATOM 268 CB LEU A 18 5.991 -8.410 4.971 1.00 0.31 C ATOM 269 CG LEU A 18 7.481 -8.605 5.332 1.00 0.29 C ATOM 270 CD1 LEU A 18 8.123 -7.260 5.754 1.00 0.64 C ATOM 271 CD2 LEU A 18 7.605 -9.626 6.483 1.00 0.35 C ATOM 0 H LEU A 18 6.080 -8.238 2.475 1.00 0.23 H new ATOM 0 HA LEU A 18 6.119 -10.439 4.212 1.00 0.27 H new ATOM 0 HB2 LEU A 18 5.854 -7.451 4.472 1.00 0.31 H new ATOM 0 HB3 LEU A 18 5.391 -8.385 5.881 1.00 0.31 H new ATOM 0 HG LEU A 18 8.007 -8.978 4.453 1.00 0.29 H new ATOM 0 HD11 LEU A 18 9.172 -7.420 6.004 1.00 0.64 H new ATOM 0 HD12 LEU A 18 8.050 -6.548 4.932 1.00 0.64 H new ATOM 0 HD13 LEU A 18 7.599 -6.864 6.624 1.00 0.64 H new ATOM 0 HD21 LEU A 18 8.656 -9.763 6.737 1.00 0.35 H new ATOM 0 HD22 LEU A 18 7.066 -9.258 7.356 1.00 0.35 H new ATOM 0 HD23 LEU A 18 7.180 -10.580 6.170 1.00 0.35 H new ATOM 283 N PHE A 19 3.094 -9.427 3.600 1.00 0.24 N ATOM 284 CA PHE A 19 1.646 -9.723 3.881 1.00 0.24 C ATOM 285 C PHE A 19 1.011 -10.468 2.704 1.00 0.29 C ATOM 286 O PHE A 19 -0.195 -10.600 2.627 1.00 0.42 O ATOM 287 CB PHE A 19 0.910 -8.408 4.114 1.00 0.23 C ATOM 288 CG PHE A 19 1.445 -7.768 5.367 1.00 0.09 C ATOM 289 CD1 PHE A 19 2.599 -6.983 5.303 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.796 -7.967 6.589 1.00 0.11 C ATOM 291 CE1 PHE A 19 3.111 -6.394 6.465 1.00 0.12 C ATOM 292 CE2 PHE A 19 1.305 -7.377 7.752 1.00 0.15 C ATOM 293 CZ PHE A 19 2.461 -6.590 7.691 1.00 0.18 C ATOM 0 H PHE A 19 3.262 -8.841 2.782 1.00 0.24 H new ATOM 0 HA PHE A 19 1.574 -10.354 4.767 1.00 0.24 H new ATOM 0 HB2 PHE A 19 1.048 -7.742 3.262 1.00 0.23 H new ATOM 0 HB3 PHE A 19 -0.161 -8.587 4.209 1.00 0.23 H new ATOM 0 HD1 PHE A 19 3.096 -6.831 4.356 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.096 -8.574 6.636 1.00 0.11 H new ATOM 0 HE1 PHE A 19 4.005 -5.790 6.417 1.00 0.12 H new ATOM 0 HE2 PHE A 19 0.805 -7.529 8.697 1.00 0.15 H new ATOM 0 HZ PHE A 19 2.852 -6.134 8.589 1.00 0.18 H new ATOM 303 N ASP A 20 1.807 -10.972 1.801 1.00 0.25 N ATOM 304 CA ASP A 20 1.251 -11.731 0.636 1.00 0.29 C ATOM 305 C ASP A 20 1.381 -13.232 0.925 1.00 0.48 C ATOM 306 O ASP A 20 2.169 -13.926 0.313 1.00 0.50 O ATOM 307 CB ASP A 20 2.047 -11.387 -0.625 1.00 0.13 C ATOM 308 CG ASP A 20 1.487 -12.176 -1.810 1.00 0.15 C ATOM 309 OD1 ASP A 20 0.296 -12.080 -2.051 1.00 0.96 O ATOM 310 OD2 ASP A 20 2.261 -12.863 -2.457 1.00 1.23 O ATOM 0 H ASP A 20 2.824 -10.892 1.817 1.00 0.25 H new ATOM 0 HA ASP A 20 0.205 -11.466 0.483 1.00 0.29 H new ATOM 0 HB2 ASP A 20 1.988 -10.317 -0.825 1.00 0.13 H new ATOM 0 HB3 ASP A 20 3.101 -11.626 -0.480 1.00 0.13 H new ATOM 315 N LYS A 21 0.631 -13.729 1.871 1.00 0.65 N ATOM 316 CA LYS A 21 0.723 -15.179 2.229 1.00 0.84 C ATOM 317 C LYS A 21 0.061 -16.049 1.163 1.00 0.92 C ATOM 318 O LYS A 21 0.048 -17.259 1.255 1.00 1.09 O ATOM 319 CB LYS A 21 0.020 -15.410 3.562 1.00 0.98 C ATOM 320 CG LYS A 21 0.687 -14.570 4.662 1.00 0.94 C ATOM 321 CD LYS A 21 1.990 -15.231 5.127 1.00 1.03 C ATOM 322 CE LYS A 21 2.444 -14.593 6.441 1.00 1.00 C ATOM 323 NZ LYS A 21 3.641 -15.317 6.958 1.00 2.03 N ATOM 0 H LYS A 21 -0.045 -13.193 2.415 1.00 0.65 H new ATOM 0 HA LYS A 21 1.776 -15.452 2.298 1.00 0.84 H new ATOM 0 HB2 LYS A 21 -1.033 -15.143 3.478 1.00 0.98 H new ATOM 0 HB3 LYS A 21 0.061 -16.467 3.825 1.00 0.98 H new ATOM 0 HG2 LYS A 21 0.894 -13.568 4.287 1.00 0.94 H new ATOM 0 HG3 LYS A 21 0.007 -14.460 5.506 1.00 0.94 H new ATOM 0 HD2 LYS A 21 1.839 -16.302 5.263 1.00 1.03 H new ATOM 0 HD3 LYS A 21 2.762 -15.112 4.367 1.00 1.03 H new ATOM 0 HE2 LYS A 21 2.682 -13.541 6.284 1.00 1.00 H new ATOM 0 HE3 LYS A 21 1.638 -14.631 7.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 3.950 -14.883 7.851 1.00 2.03 H new ATOM 0 HZ2 LYS A 21 3.399 -16.315 7.123 1.00 2.03 H new ATOM 0 HZ3 LYS A 21 4.410 -15.258 6.261 1.00 2.03 H new ATOM 337 N ASP A 22 -0.493 -15.441 0.163 1.00 0.81 N ATOM 338 CA ASP A 22 -1.171 -16.216 -0.921 1.00 0.89 C ATOM 339 C ASP A 22 -0.236 -16.341 -2.127 1.00 0.75 C ATOM 340 O ASP A 22 -0.606 -16.867 -3.160 1.00 0.76 O ATOM 341 CB ASP A 22 -2.444 -15.479 -1.344 1.00 0.92 C ATOM 342 CG ASP A 22 -3.461 -15.522 -0.205 1.00 1.17 C ATOM 343 OD1 ASP A 22 -3.409 -14.647 0.644 1.00 1.09 O ATOM 344 OD2 ASP A 22 -4.278 -16.428 -0.200 1.00 2.23 O ATOM 0 H ASP A 22 -0.510 -14.428 0.041 1.00 0.81 H new ATOM 0 HA ASP A 22 -1.423 -17.211 -0.554 1.00 0.89 H new ATOM 0 HB2 ASP A 22 -2.211 -14.445 -1.598 1.00 0.92 H new ATOM 0 HB3 ASP A 22 -2.864 -15.940 -2.238 1.00 0.92 H new ATOM 349 N GLY A 23 0.976 -15.864 -2.008 1.00 0.64 N ATOM 350 CA GLY A 23 1.929 -15.961 -3.148 1.00 0.55 C ATOM 351 C GLY A 23 1.250 -15.446 -4.415 1.00 0.42 C ATOM 352 O GLY A 23 1.607 -15.810 -5.517 1.00 0.31 O ATOM 0 H GLY A 23 1.345 -15.412 -1.171 1.00 0.64 H new ATOM 0 HA2 GLY A 23 2.826 -15.378 -2.939 1.00 0.55 H new ATOM 0 HA3 GLY A 23 2.246 -16.995 -3.285 1.00 0.55 H new ATOM 356 N ASP A 24 0.266 -14.601 -4.259 1.00 0.45 N ATOM 357 CA ASP A 24 -0.461 -14.053 -5.447 1.00 0.38 C ATOM 358 C ASP A 24 0.062 -12.650 -5.771 1.00 0.27 C ATOM 359 O ASP A 24 -0.329 -12.044 -6.750 1.00 0.26 O ATOM 360 CB ASP A 24 -1.957 -13.978 -5.131 1.00 0.52 C ATOM 361 CG ASP A 24 -2.747 -13.784 -6.427 1.00 0.56 C ATOM 362 OD1 ASP A 24 -2.361 -14.369 -7.426 1.00 1.23 O ATOM 363 OD2 ASP A 24 -3.726 -13.055 -6.397 1.00 1.19 O ATOM 0 H ASP A 24 -0.069 -14.264 -3.356 1.00 0.45 H new ATOM 0 HA ASP A 24 -0.298 -14.705 -6.305 1.00 0.38 H new ATOM 0 HB2 ASP A 24 -2.279 -14.891 -4.630 1.00 0.52 H new ATOM 0 HB3 ASP A 24 -2.153 -13.153 -4.447 1.00 0.52 H new ATOM 368 N GLY A 25 0.949 -12.130 -4.966 1.00 0.23 N ATOM 369 CA GLY A 25 1.496 -10.771 -5.241 1.00 0.14 C ATOM 370 C GLY A 25 0.443 -9.702 -4.913 1.00 0.11 C ATOM 371 O GLY A 25 0.485 -8.607 -5.437 1.00 0.11 O ATOM 0 H GLY A 25 1.318 -12.587 -4.132 1.00 0.23 H new ATOM 0 HA2 GLY A 25 2.393 -10.604 -4.645 1.00 0.14 H new ATOM 0 HA3 GLY A 25 1.790 -10.694 -6.288 1.00 0.14 H new ATOM 375 N THR A 26 -0.504 -10.003 -4.048 1.00 0.09 N ATOM 376 CA THR A 26 -1.551 -8.995 -3.690 1.00 0.09 C ATOM 377 C THR A 26 -1.848 -9.065 -2.190 1.00 0.08 C ATOM 378 O THR A 26 -1.484 -10.006 -1.516 1.00 0.09 O ATOM 379 CB THR A 26 -2.842 -9.277 -4.462 1.00 0.11 C ATOM 380 OG1 THR A 26 -3.403 -10.503 -4.013 1.00 0.09 O ATOM 381 CG2 THR A 26 -2.543 -9.368 -5.959 1.00 0.14 C ATOM 0 H THR A 26 -0.593 -10.903 -3.577 1.00 0.09 H new ATOM 0 HA THR A 26 -1.180 -8.003 -3.949 1.00 0.09 H new ATOM 0 HB THR A 26 -3.550 -8.466 -4.288 1.00 0.11 H new ATOM 0 HG1 THR A 26 -4.231 -10.684 -4.505 1.00 0.09 H new ATOM 0 HG21 THR A 26 -3.466 -9.569 -6.503 1.00 0.14 H new ATOM 0 HG22 THR A 26 -2.117 -8.425 -6.303 1.00 0.14 H new ATOM 0 HG23 THR A 26 -1.833 -10.175 -6.140 1.00 0.14 H new ATOM 389 N ILE A 27 -2.523 -8.072 -1.671 1.00 0.08 N ATOM 390 CA ILE A 27 -2.873 -8.059 -0.217 1.00 0.09 C ATOM 391 C ILE A 27 -4.295 -7.519 -0.067 1.00 0.10 C ATOM 392 O ILE A 27 -4.849 -6.955 -0.989 1.00 0.10 O ATOM 393 CB ILE A 27 -1.893 -7.155 0.543 1.00 0.12 C ATOM 394 CG1 ILE A 27 -1.942 -5.734 -0.039 1.00 0.11 C ATOM 395 CG2 ILE A 27 -0.472 -7.719 0.410 1.00 0.15 C ATOM 396 CD1 ILE A 27 -1.024 -4.813 0.767 1.00 0.14 C ATOM 0 H ILE A 27 -2.850 -7.261 -2.197 1.00 0.08 H new ATOM 0 HA ILE A 27 -2.811 -9.067 0.192 1.00 0.09 H new ATOM 0 HB ILE A 27 -2.173 -7.120 1.596 1.00 0.12 H new ATOM 0 HG12 ILE A 27 -1.632 -5.748 -1.084 1.00 0.11 H new ATOM 0 HG13 ILE A 27 -2.964 -5.356 -0.015 1.00 0.11 H new ATOM 0 HG21 ILE A 27 0.226 -7.078 0.949 1.00 0.15 H new ATOM 0 HG22 ILE A 27 -0.439 -8.725 0.829 1.00 0.15 H new ATOM 0 HG23 ILE A 27 -0.192 -7.755 -0.643 1.00 0.15 H new ATOM 0 HD11 ILE A 27 -1.062 -3.806 0.351 1.00 0.14 H new ATOM 0 HD12 ILE A 27 -1.354 -4.789 1.806 1.00 0.14 H new ATOM 0 HD13 ILE A 27 -0.001 -5.187 0.720 1.00 0.14 H new ATOM 408 N THR A 28 -4.893 -7.674 1.082 1.00 0.10 N ATOM 409 CA THR A 28 -6.277 -7.152 1.269 1.00 0.12 C ATOM 410 C THR A 28 -6.232 -5.724 1.794 1.00 0.11 C ATOM 411 O THR A 28 -5.214 -5.251 2.261 1.00 0.09 O ATOM 412 CB THR A 28 -7.021 -8.009 2.286 1.00 0.15 C ATOM 413 OG1 THR A 28 -6.728 -7.543 3.598 1.00 0.16 O ATOM 414 CG2 THR A 28 -6.582 -9.464 2.155 1.00 0.16 C ATOM 0 H THR A 28 -4.487 -8.137 1.895 1.00 0.10 H new ATOM 0 HA THR A 28 -6.787 -7.180 0.306 1.00 0.12 H new ATOM 0 HB THR A 28 -8.093 -7.939 2.102 1.00 0.15 H new ATOM 0 HG1 THR A 28 -6.927 -8.249 4.248 1.00 0.16 H new ATOM 0 HG21 THR A 28 -7.117 -10.072 2.884 1.00 0.16 H new ATOM 0 HG22 THR A 28 -6.805 -9.822 1.150 1.00 0.16 H new ATOM 0 HG23 THR A 28 -5.510 -9.538 2.337 1.00 0.16 H new ATOM 422 N THR A 29 -7.336 -5.038 1.739 1.00 0.14 N ATOM 423 CA THR A 29 -7.378 -3.650 2.257 1.00 0.13 C ATOM 424 C THR A 29 -7.199 -3.677 3.776 1.00 0.13 C ATOM 425 O THR A 29 -6.679 -2.754 4.369 1.00 0.12 O ATOM 426 CB THR A 29 -8.738 -3.034 1.921 1.00 0.13 C ATOM 427 OG1 THR A 29 -9.759 -3.992 2.161 1.00 0.14 O ATOM 428 CG2 THR A 29 -8.770 -2.615 0.451 1.00 0.13 C ATOM 0 H THR A 29 -8.216 -5.383 1.355 1.00 0.14 H new ATOM 0 HA THR A 29 -6.582 -3.059 1.803 1.00 0.13 H new ATOM 0 HB THR A 29 -8.901 -2.157 2.547 1.00 0.13 H new ATOM 0 HG1 THR A 29 -10.632 -3.600 1.948 1.00 0.14 H new ATOM 0 HG21 THR A 29 -9.741 -2.177 0.218 1.00 0.13 H new ATOM 0 HG22 THR A 29 -7.987 -1.880 0.265 1.00 0.13 H new ATOM 0 HG23 THR A 29 -8.605 -3.488 -0.180 1.00 0.13 H new ATOM 436 N LYS A 30 -7.639 -4.729 4.409 1.00 0.14 N ATOM 437 CA LYS A 30 -7.509 -4.819 5.888 1.00 0.15 C ATOM 438 C LYS A 30 -6.035 -4.782 6.286 1.00 0.14 C ATOM 439 O LYS A 30 -5.689 -4.364 7.373 1.00 0.14 O ATOM 440 CB LYS A 30 -8.140 -6.123 6.377 1.00 0.16 C ATOM 441 CG LYS A 30 -9.652 -6.073 6.146 1.00 0.14 C ATOM 442 CD LYS A 30 -10.285 -7.379 6.629 1.00 0.46 C ATOM 443 CE LYS A 30 -11.716 -7.481 6.098 1.00 1.05 C ATOM 444 NZ LYS A 30 -12.431 -8.580 6.805 1.00 1.40 N ATOM 0 H LYS A 30 -8.084 -5.532 3.964 1.00 0.14 H new ATOM 0 HA LYS A 30 -8.022 -3.972 6.344 1.00 0.15 H new ATOM 0 HB2 LYS A 30 -7.708 -6.971 5.846 1.00 0.16 H new ATOM 0 HB3 LYS A 30 -7.927 -6.268 7.436 1.00 0.16 H new ATOM 0 HG2 LYS A 30 -10.085 -5.227 6.681 1.00 0.14 H new ATOM 0 HG3 LYS A 30 -9.864 -5.923 5.087 1.00 0.14 H new ATOM 0 HD2 LYS A 30 -9.697 -8.230 6.285 1.00 0.46 H new ATOM 0 HD3 LYS A 30 -10.287 -7.413 7.718 1.00 0.46 H new ATOM 0 HE2 LYS A 30 -12.239 -6.537 6.248 1.00 1.05 H new ATOM 0 HE3 LYS A 30 -11.704 -7.672 5.025 1.00 1.05 H new ATOM 0 HZ1 LYS A 30 -13.404 -8.650 6.444 1.00 1.40 H new ATOM 0 HZ2 LYS A 30 -11.935 -9.479 6.640 1.00 1.40 H new ATOM 0 HZ3 LYS A 30 -12.454 -8.379 7.825 1.00 1.40 H new ATOM 458 N GLU A 31 -5.160 -5.221 5.419 1.00 0.13 N ATOM 459 CA GLU A 31 -3.697 -5.214 5.753 1.00 0.12 C ATOM 460 C GLU A 31 -3.016 -4.007 5.109 1.00 0.12 C ATOM 461 O GLU A 31 -1.809 -3.878 5.146 1.00 0.07 O ATOM 462 CB GLU A 31 -3.043 -6.492 5.223 1.00 0.11 C ATOM 463 CG GLU A 31 -3.775 -7.716 5.780 1.00 0.08 C ATOM 464 CD GLU A 31 -3.276 -8.974 5.066 1.00 0.06 C ATOM 465 OE1 GLU A 31 -3.689 -9.194 3.940 1.00 0.49 O ATOM 466 OE2 GLU A 31 -2.489 -9.693 5.657 1.00 0.47 O ATOM 0 H GLU A 31 -5.391 -5.584 4.494 1.00 0.13 H new ATOM 0 HA GLU A 31 -3.586 -5.159 6.836 1.00 0.12 H new ATOM 0 HB2 GLU A 31 -3.074 -6.503 4.133 1.00 0.11 H new ATOM 0 HB3 GLU A 31 -1.993 -6.522 5.513 1.00 0.11 H new ATOM 0 HG2 GLU A 31 -3.602 -7.800 6.853 1.00 0.08 H new ATOM 0 HG3 GLU A 31 -4.850 -7.606 5.638 1.00 0.08 H new ATOM 473 N LEU A 32 -3.766 -3.120 4.515 1.00 0.18 N ATOM 474 CA LEU A 32 -3.133 -1.934 3.873 1.00 0.18 C ATOM 475 C LEU A 32 -2.504 -1.044 4.949 1.00 0.17 C ATOM 476 O LEU A 32 -1.360 -0.650 4.849 1.00 0.15 O ATOM 477 CB LEU A 32 -4.191 -1.144 3.092 1.00 0.22 C ATOM 478 CG LEU A 32 -3.601 0.180 2.574 1.00 0.21 C ATOM 479 CD1 LEU A 32 -2.297 -0.088 1.806 1.00 0.15 C ATOM 480 CD2 LEU A 32 -4.613 0.859 1.646 1.00 0.27 C ATOM 0 H LEU A 32 -4.783 -3.164 4.447 1.00 0.18 H new ATOM 0 HA LEU A 32 -2.356 -2.265 3.184 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -4.554 -1.740 2.254 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -5.049 -0.941 3.733 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.386 0.831 3.421 1.00 0.21 H new ATOM 0 HD11 LEU A 32 -1.888 0.855 1.444 1.00 0.15 H new ATOM 0 HD12 LEU A 32 -1.576 -0.566 2.469 1.00 0.15 H new ATOM 0 HD13 LEU A 32 -2.501 -0.744 0.960 1.00 0.15 H new ATOM 0 HD21 LEU A 32 -4.197 1.797 1.278 1.00 0.27 H new ATOM 0 HD22 LEU A 32 -4.831 0.203 0.803 1.00 0.27 H new ATOM 0 HD23 LEU A 32 -5.532 1.061 2.196 1.00 0.27 H new ATOM 492 N GLY A 33 -3.241 -0.723 5.979 1.00 0.20 N ATOM 493 CA GLY A 33 -2.675 0.143 7.052 1.00 0.21 C ATOM 494 C GLY A 33 -1.535 -0.589 7.755 1.00 0.18 C ATOM 495 O GLY A 33 -0.649 0.020 8.317 1.00 0.18 O ATOM 0 H GLY A 33 -4.206 -1.022 6.123 1.00 0.20 H new ATOM 0 HA2 GLY A 33 -2.311 1.077 6.625 1.00 0.21 H new ATOM 0 HA3 GLY A 33 -3.452 0.402 7.771 1.00 0.21 H new ATOM 499 N THR A 34 -1.542 -1.894 7.728 1.00 0.16 N ATOM 500 CA THR A 34 -0.449 -2.650 8.399 1.00 0.14 C ATOM 501 C THR A 34 0.838 -2.508 7.585 1.00 0.11 C ATOM 502 O THR A 34 1.906 -2.310 8.128 1.00 0.12 O ATOM 503 CB THR A 34 -0.842 -4.130 8.510 1.00 0.12 C ATOM 504 OG1 THR A 34 -2.219 -4.227 8.840 1.00 0.20 O ATOM 505 CG2 THR A 34 -0.010 -4.812 9.600 1.00 0.16 C ATOM 0 H THR A 34 -2.253 -2.466 7.273 1.00 0.16 H new ATOM 0 HA THR A 34 -0.286 -2.251 9.400 1.00 0.14 H new ATOM 0 HB THR A 34 -0.655 -4.623 7.556 1.00 0.12 H new ATOM 0 HG1 THR A 34 -2.473 -5.171 8.910 1.00 0.20 H new ATOM 0 HG21 THR A 34 -0.295 -5.862 9.672 1.00 0.16 H new ATOM 0 HG22 THR A 34 1.048 -4.740 9.349 1.00 0.16 H new ATOM 0 HG23 THR A 34 -0.190 -4.321 10.556 1.00 0.16 H new ATOM 513 N VAL A 35 0.745 -2.598 6.288 1.00 0.09 N ATOM 514 CA VAL A 35 1.966 -2.454 5.447 1.00 0.06 C ATOM 515 C VAL A 35 2.495 -1.026 5.589 1.00 0.07 C ATOM 516 O VAL A 35 3.674 -0.803 5.798 1.00 0.08 O ATOM 517 CB VAL A 35 1.619 -2.726 3.980 1.00 0.06 C ATOM 518 CG1 VAL A 35 2.858 -2.504 3.114 1.00 0.05 C ATOM 519 CG2 VAL A 35 1.150 -4.172 3.825 1.00 0.05 C ATOM 0 H VAL A 35 -0.121 -2.765 5.775 1.00 0.09 H new ATOM 0 HA VAL A 35 2.724 -3.167 5.772 1.00 0.06 H new ATOM 0 HB VAL A 35 0.825 -2.049 3.665 1.00 0.06 H new ATOM 0 HG11 VAL A 35 2.612 -2.697 2.070 1.00 0.05 H new ATOM 0 HG12 VAL A 35 3.197 -1.474 3.222 1.00 0.05 H new ATOM 0 HG13 VAL A 35 3.650 -3.182 3.431 1.00 0.05 H new ATOM 0 HG21 VAL A 35 0.903 -4.365 2.781 1.00 0.05 H new ATOM 0 HG22 VAL A 35 1.945 -4.848 4.141 1.00 0.05 H new ATOM 0 HG23 VAL A 35 0.267 -4.336 4.443 1.00 0.05 H new ATOM 529 N MET A 36 1.627 -0.056 5.489 1.00 0.08 N ATOM 530 CA MET A 36 2.072 1.357 5.628 1.00 0.10 C ATOM 531 C MET A 36 2.729 1.542 6.998 1.00 0.10 C ATOM 532 O MET A 36 3.710 2.246 7.137 1.00 0.09 O ATOM 533 CB MET A 36 0.854 2.282 5.511 1.00 0.12 C ATOM 534 CG MET A 36 0.418 2.409 4.037 1.00 0.13 C ATOM 535 SD MET A 36 1.209 3.858 3.292 1.00 0.56 S ATOM 536 CE MET A 36 0.035 4.091 1.934 1.00 0.32 C ATOM 0 H MET A 36 0.630 -0.182 5.317 1.00 0.08 H new ATOM 0 HA MET A 36 2.789 1.601 4.844 1.00 0.10 H new ATOM 0 HB2 MET A 36 0.031 1.889 6.108 1.00 0.12 H new ATOM 0 HB3 MET A 36 1.096 3.266 5.912 1.00 0.12 H new ATOM 0 HG2 MET A 36 0.693 1.509 3.487 1.00 0.13 H new ATOM 0 HG3 MET A 36 -0.666 2.502 3.975 1.00 0.13 H new ATOM 0 HE1 MET A 36 0.338 4.950 1.335 1.00 0.32 H new ATOM 0 HE2 MET A 36 0.021 3.199 1.308 1.00 0.32 H new ATOM 0 HE3 MET A 36 -0.961 4.265 2.340 1.00 0.32 H new ATOM 546 N ARG A 37 2.196 0.910 8.011 1.00 0.13 N ATOM 547 CA ARG A 37 2.791 1.049 9.370 1.00 0.15 C ATOM 548 C ARG A 37 4.160 0.366 9.401 1.00 0.16 C ATOM 549 O ARG A 37 5.002 0.684 10.216 1.00 0.27 O ATOM 550 CB ARG A 37 1.862 0.403 10.405 1.00 0.23 C ATOM 551 CG ARG A 37 0.677 1.335 10.673 1.00 0.29 C ATOM 552 CD ARG A 37 -0.399 0.589 11.465 1.00 1.06 C ATOM 553 NE ARG A 37 0.169 0.131 12.766 1.00 0.50 N ATOM 554 CZ ARG A 37 -0.629 -0.251 13.728 1.00 0.88 C ATOM 555 NH1 ARG A 37 -1.923 -0.229 13.550 1.00 1.72 N ATOM 556 NH2 ARG A 37 -0.135 -0.652 14.866 1.00 0.70 N ATOM 0 H ARG A 37 1.376 0.305 7.955 1.00 0.13 H new ATOM 0 HA ARG A 37 2.913 2.106 9.608 1.00 0.15 H new ATOM 0 HB2 ARG A 37 1.506 -0.561 10.040 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.406 0.212 11.330 1.00 0.23 H new ATOM 0 HG2 ARG A 37 1.010 2.211 11.230 1.00 0.29 H new ATOM 0 HG3 ARG A 37 0.264 1.694 9.730 1.00 0.29 H new ATOM 0 HD2 ARG A 37 -1.255 1.241 11.639 1.00 1.06 H new ATOM 0 HD3 ARG A 37 -0.760 -0.265 10.893 1.00 1.06 H new ATOM 0 HE ARG A 37 1.179 0.116 12.905 1.00 0.50 H new ATOM 0 HH11 ARG A 37 -2.310 0.086 12.661 1.00 1.72 H new ATOM 0 HH12 ARG A 37 -2.546 -0.527 14.300 1.00 1.72 H new ATOM 0 HH21 ARG A 37 0.875 -0.668 15.006 1.00 0.70 H new ATOM 0 HH22 ARG A 37 -0.759 -0.950 15.616 1.00 0.70 H new ATOM 570 N SER A 38 4.393 -0.563 8.515 1.00 0.17 N ATOM 571 CA SER A 38 5.712 -1.253 8.494 1.00 0.19 C ATOM 572 C SER A 38 6.789 -0.273 8.024 1.00 0.13 C ATOM 573 O SER A 38 7.917 -0.311 8.479 1.00 0.18 O ATOM 574 CB SER A 38 5.650 -2.442 7.535 1.00 0.22 C ATOM 575 OG SER A 38 5.783 -1.973 6.200 1.00 0.15 O ATOM 0 H SER A 38 3.728 -0.873 7.806 1.00 0.17 H new ATOM 0 HA SER A 38 5.954 -1.608 9.496 1.00 0.19 H new ATOM 0 HB2 SER A 38 6.445 -3.152 7.765 1.00 0.22 H new ATOM 0 HB3 SER A 38 4.705 -2.972 7.655 1.00 0.22 H new ATOM 0 HG SER A 38 4.895 -1.790 5.827 1.00 0.15 H new ATOM 581 N LEU A 39 6.456 0.602 7.113 1.00 0.09 N ATOM 582 CA LEU A 39 7.463 1.580 6.609 1.00 0.14 C ATOM 583 C LEU A 39 7.574 2.762 7.579 1.00 0.12 C ATOM 584 O LEU A 39 8.297 3.707 7.338 1.00 0.15 O ATOM 585 CB LEU A 39 7.038 2.085 5.227 1.00 0.23 C ATOM 586 CG LEU A 39 6.749 0.892 4.308 1.00 0.28 C ATOM 587 CD1 LEU A 39 6.185 1.399 2.978 1.00 0.32 C ATOM 588 CD2 LEU A 39 8.043 0.101 4.048 1.00 0.28 C ATOM 0 H LEU A 39 5.529 0.682 6.696 1.00 0.09 H new ATOM 0 HA LEU A 39 8.433 1.089 6.534 1.00 0.14 H new ATOM 0 HB2 LEU A 39 6.151 2.712 5.315 1.00 0.23 H new ATOM 0 HB3 LEU A 39 7.825 2.705 4.798 1.00 0.23 H new ATOM 0 HG LEU A 39 6.022 0.238 4.790 1.00 0.28 H new ATOM 0 HD11 LEU A 39 5.979 0.552 2.324 1.00 0.32 H new ATOM 0 HD12 LEU A 39 5.262 1.949 3.160 1.00 0.32 H new ATOM 0 HD13 LEU A 39 6.912 2.057 2.502 1.00 0.32 H new ATOM 0 HD21 LEU A 39 7.828 -0.744 3.394 1.00 0.28 H new ATOM 0 HD22 LEU A 39 8.777 0.751 3.571 1.00 0.28 H new ATOM 0 HD23 LEU A 39 8.442 -0.264 4.994 1.00 0.28 H new ATOM 600 N GLY A 40 6.876 2.710 8.684 1.00 0.09 N ATOM 601 CA GLY A 40 6.958 3.825 9.677 1.00 0.10 C ATOM 602 C GLY A 40 5.946 4.926 9.339 1.00 0.17 C ATOM 603 O GLY A 40 6.071 6.048 9.789 1.00 0.23 O ATOM 0 H GLY A 40 6.253 1.945 8.942 1.00 0.09 H new ATOM 0 HA2 GLY A 40 6.765 3.442 10.679 1.00 0.10 H new ATOM 0 HA3 GLY A 40 7.966 4.240 9.683 1.00 0.10 H new ATOM 607 N GLN A 41 4.938 4.619 8.561 1.00 0.16 N ATOM 608 CA GLN A 41 3.911 5.652 8.207 1.00 0.23 C ATOM 609 C GLN A 41 2.681 5.449 9.096 1.00 0.22 C ATOM 610 O GLN A 41 2.343 4.337 9.442 1.00 0.16 O ATOM 611 CB GLN A 41 3.515 5.489 6.740 1.00 0.24 C ATOM 612 CG GLN A 41 4.728 5.776 5.852 1.00 0.34 C ATOM 613 CD GLN A 41 4.310 5.717 4.381 1.00 1.52 C ATOM 614 OE1 GLN A 41 3.145 5.572 4.075 1.00 2.21 O ATOM 615 NE2 GLN A 41 5.221 5.826 3.451 1.00 2.31 N ATOM 0 H GLN A 41 4.780 3.697 8.154 1.00 0.16 H new ATOM 0 HA GLN A 41 4.317 6.652 8.361 1.00 0.23 H new ATOM 0 HB2 GLN A 41 3.150 4.478 6.560 1.00 0.24 H new ATOM 0 HB3 GLN A 41 2.701 6.170 6.494 1.00 0.24 H new ATOM 0 HG2 GLN A 41 5.138 6.759 6.085 1.00 0.34 H new ATOM 0 HG3 GLN A 41 5.515 5.047 6.047 1.00 0.34 H new ATOM 0 HE21 GLN A 41 6.200 5.948 3.708 1.00 2.31 H new ATOM 0 HE22 GLN A 41 4.953 5.789 2.468 1.00 2.31 H new ATOM 624 N ASN A 42 2.012 6.510 9.483 1.00 0.32 N ATOM 625 CA ASN A 42 0.808 6.367 10.366 1.00 0.35 C ATOM 626 C ASN A 42 -0.337 7.256 9.864 1.00 0.38 C ATOM 627 O ASN A 42 -0.624 8.273 10.466 1.00 0.49 O ATOM 628 CB ASN A 42 1.180 6.796 11.786 1.00 0.46 C ATOM 629 CG ASN A 42 0.072 6.373 12.750 1.00 0.46 C ATOM 630 OD1 ASN A 42 -1.089 6.649 12.519 1.00 1.04 O ATOM 631 ND2 ASN A 42 0.382 5.710 13.830 1.00 0.82 N ATOM 0 H ASN A 42 2.247 7.469 9.226 1.00 0.32 H new ATOM 0 HA ASN A 42 0.482 5.327 10.352 1.00 0.35 H new ATOM 0 HB2 ASN A 42 2.126 6.341 12.079 1.00 0.46 H new ATOM 0 HB3 ASN A 42 1.320 7.876 11.827 1.00 0.46 H new ATOM 0 HD21 ASN A 42 -0.350 5.423 14.480 1.00 0.82 H new ATOM 0 HD22 ASN A 42 1.356 5.478 14.024 1.00 0.82 H new ATOM 638 N PRO A 43 -0.975 6.853 8.788 1.00 0.31 N ATOM 639 CA PRO A 43 -2.102 7.620 8.227 1.00 0.35 C ATOM 640 C PRO A 43 -3.320 7.453 9.148 1.00 0.35 C ATOM 641 O PRO A 43 -3.501 6.417 9.757 1.00 0.31 O ATOM 642 CB PRO A 43 -2.359 6.983 6.840 1.00 0.31 C ATOM 643 CG PRO A 43 -1.478 5.700 6.750 1.00 0.22 C ATOM 644 CD PRO A 43 -0.629 5.626 8.039 1.00 0.19 C ATOM 0 HA PRO A 43 -1.902 8.688 8.141 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -3.414 6.734 6.721 1.00 0.31 H new ATOM 0 HB3 PRO A 43 -2.104 7.681 6.043 1.00 0.31 H new ATOM 0 HG2 PRO A 43 -2.103 4.812 6.651 1.00 0.22 H new ATOM 0 HG3 PRO A 43 -0.836 5.737 5.870 1.00 0.22 H new ATOM 0 HD2 PRO A 43 -0.862 4.731 8.616 1.00 0.19 H new ATOM 0 HD3 PRO A 43 0.436 5.589 7.810 1.00 0.19 H new ATOM 652 N THR A 44 -4.157 8.447 9.259 1.00 0.40 N ATOM 653 CA THR A 44 -5.344 8.298 10.145 1.00 0.42 C ATOM 654 C THR A 44 -6.313 7.299 9.514 1.00 0.35 C ATOM 655 O THR A 44 -6.123 6.853 8.400 1.00 0.28 O ATOM 656 CB THR A 44 -6.045 9.645 10.328 1.00 0.50 C ATOM 657 OG1 THR A 44 -6.352 10.194 9.056 1.00 0.50 O ATOM 658 CG2 THR A 44 -5.130 10.601 11.095 1.00 0.55 C ATOM 0 H THR A 44 -4.073 9.344 8.781 1.00 0.40 H new ATOM 0 HA THR A 44 -5.020 7.939 11.122 1.00 0.42 H new ATOM 0 HB THR A 44 -6.966 9.501 10.892 1.00 0.50 H new ATOM 0 HG1 THR A 44 -6.803 11.056 9.172 1.00 0.50 H new ATOM 0 HG21 THR A 44 -5.632 11.560 11.224 1.00 0.55 H new ATOM 0 HG22 THR A 44 -4.899 10.178 12.073 1.00 0.55 H new ATOM 0 HG23 THR A 44 -4.206 10.747 10.536 1.00 0.55 H new ATOM 666 N GLU A 45 -7.345 6.941 10.220 1.00 0.38 N ATOM 667 CA GLU A 45 -8.321 5.964 9.666 1.00 0.33 C ATOM 668 C GLU A 45 -9.026 6.568 8.449 1.00 0.31 C ATOM 669 O GLU A 45 -9.223 5.905 7.451 1.00 0.25 O ATOM 670 CB GLU A 45 -9.357 5.624 10.744 1.00 0.40 C ATOM 671 CG GLU A 45 -8.761 4.625 11.737 1.00 0.35 C ATOM 672 CD GLU A 45 -9.823 4.241 12.770 1.00 1.00 C ATOM 673 OE1 GLU A 45 -10.625 5.094 13.112 1.00 2.13 O ATOM 674 OE2 GLU A 45 -9.816 3.101 13.201 1.00 1.02 O ATOM 0 H GLU A 45 -7.556 7.282 11.158 1.00 0.38 H new ATOM 0 HA GLU A 45 -7.797 5.059 9.360 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -9.664 6.531 11.266 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -10.251 5.204 10.283 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -8.412 3.737 11.211 1.00 0.35 H new ATOM 0 HG3 GLU A 45 -7.895 5.062 12.234 1.00 0.35 H new ATOM 681 N ALA A 46 -9.410 7.811 8.517 1.00 0.35 N ATOM 682 CA ALA A 46 -10.101 8.426 7.352 1.00 0.34 C ATOM 683 C ALA A 46 -9.141 8.470 6.162 1.00 0.31 C ATOM 684 O ALA A 46 -9.526 8.220 5.037 1.00 0.28 O ATOM 685 CB ALA A 46 -10.563 9.844 7.711 1.00 0.43 C ATOM 0 H ALA A 46 -9.277 8.423 9.322 1.00 0.35 H new ATOM 0 HA ALA A 46 -10.975 7.830 7.088 1.00 0.34 H new ATOM 0 HB1 ALA A 46 -11.068 10.290 6.854 1.00 0.43 H new ATOM 0 HB2 ALA A 46 -11.251 9.800 8.555 1.00 0.43 H new ATOM 0 HB3 ALA A 46 -9.698 10.451 7.979 1.00 0.43 H new ATOM 691 N GLU A 47 -7.890 8.765 6.395 1.00 0.34 N ATOM 692 CA GLU A 47 -6.927 8.792 5.261 1.00 0.33 C ATOM 693 C GLU A 47 -6.916 7.407 4.622 1.00 0.26 C ATOM 694 O GLU A 47 -6.842 7.262 3.420 1.00 0.26 O ATOM 695 CB GLU A 47 -5.520 9.127 5.770 1.00 0.36 C ATOM 696 CG GLU A 47 -5.404 10.631 6.033 1.00 0.46 C ATOM 697 CD GLU A 47 -3.954 10.976 6.373 1.00 0.68 C ATOM 698 OE1 GLU A 47 -3.309 10.171 7.022 1.00 1.27 O ATOM 699 OE2 GLU A 47 -3.512 12.043 5.977 1.00 0.84 O ATOM 0 H GLU A 47 -7.498 8.986 7.311 1.00 0.34 H new ATOM 0 HA GLU A 47 -7.225 9.551 4.537 1.00 0.33 H new ATOM 0 HB2 GLU A 47 -5.314 8.572 6.685 1.00 0.36 H new ATOM 0 HB3 GLU A 47 -4.776 8.819 5.036 1.00 0.36 H new ATOM 0 HG2 GLU A 47 -5.726 11.191 5.155 1.00 0.46 H new ATOM 0 HG3 GLU A 47 -6.060 10.920 6.854 1.00 0.46 H new ATOM 706 N LEU A 48 -6.984 6.384 5.430 1.00 0.20 N ATOM 707 CA LEU A 48 -6.974 5.000 4.881 1.00 0.13 C ATOM 708 C LEU A 48 -8.315 4.693 4.204 1.00 0.09 C ATOM 709 O LEU A 48 -8.359 4.143 3.129 1.00 0.14 O ATOM 710 CB LEU A 48 -6.739 3.998 6.029 1.00 0.09 C ATOM 711 CG LEU A 48 -5.237 3.916 6.372 1.00 0.17 C ATOM 712 CD1 LEU A 48 -5.055 3.425 7.815 1.00 0.29 C ATOM 713 CD2 LEU A 48 -4.531 2.931 5.430 1.00 0.32 C ATOM 0 H LEU A 48 -7.046 6.448 6.446 1.00 0.20 H new ATOM 0 HA LEU A 48 -6.175 4.913 4.145 1.00 0.13 H new ATOM 0 HB2 LEU A 48 -7.303 4.305 6.909 1.00 0.09 H new ATOM 0 HB3 LEU A 48 -7.107 3.013 5.742 1.00 0.09 H new ATOM 0 HG LEU A 48 -4.805 4.910 6.258 1.00 0.17 H new ATOM 0 HD11 LEU A 48 -3.992 3.370 8.049 1.00 0.29 H new ATOM 0 HD12 LEU A 48 -5.542 4.119 8.500 1.00 0.29 H new ATOM 0 HD13 LEU A 48 -5.502 2.437 7.922 1.00 0.29 H new ATOM 0 HD21 LEU A 48 -3.472 2.882 5.682 1.00 0.32 H new ATOM 0 HD22 LEU A 48 -4.976 1.942 5.538 1.00 0.32 H new ATOM 0 HD23 LEU A 48 -4.643 3.269 4.400 1.00 0.32 H new ATOM 725 N GLN A 49 -9.406 5.028 4.833 1.00 0.10 N ATOM 726 CA GLN A 49 -10.736 4.729 4.225 1.00 0.06 C ATOM 727 C GLN A 49 -10.972 5.598 2.989 1.00 0.10 C ATOM 728 O GLN A 49 -11.771 5.269 2.134 1.00 0.12 O ATOM 729 CB GLN A 49 -11.833 5.014 5.251 1.00 0.03 C ATOM 730 CG GLN A 49 -11.849 3.912 6.315 1.00 0.07 C ATOM 731 CD GLN A 49 -12.493 2.649 5.738 1.00 0.91 C ATOM 732 OE1 GLN A 49 -11.848 1.627 5.610 1.00 1.90 O ATOM 733 NE2 GLN A 49 -13.747 2.677 5.377 1.00 1.35 N ATOM 0 H GLN A 49 -9.437 5.495 5.739 1.00 0.10 H new ATOM 0 HA GLN A 49 -10.757 3.680 3.928 1.00 0.06 H new ATOM 0 HB2 GLN A 49 -11.661 5.983 5.720 1.00 0.03 H new ATOM 0 HB3 GLN A 49 -12.802 5.067 4.755 1.00 0.03 H new ATOM 0 HG2 GLN A 49 -10.833 3.696 6.644 1.00 0.07 H new ATOM 0 HG3 GLN A 49 -12.404 4.247 7.191 1.00 0.07 H new ATOM 0 HE21 GLN A 49 -14.289 3.534 5.484 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -14.184 1.842 4.988 1.00 1.35 H new ATOM 742 N ASP A 50 -10.295 6.704 2.887 1.00 0.13 N ATOM 743 CA ASP A 50 -10.503 7.587 1.703 1.00 0.17 C ATOM 744 C ASP A 50 -9.861 6.947 0.479 1.00 0.24 C ATOM 745 O ASP A 50 -10.451 6.877 -0.583 1.00 0.27 O ATOM 746 CB ASP A 50 -9.866 8.954 1.961 1.00 0.19 C ATOM 747 CG ASP A 50 -10.088 9.856 0.747 1.00 1.37 C ATOM 748 OD1 ASP A 50 -10.854 9.470 -0.121 1.00 2.33 O ATOM 749 OD2 ASP A 50 -9.488 10.918 0.703 1.00 2.08 O ATOM 0 H ASP A 50 -9.610 7.036 3.566 1.00 0.13 H new ATOM 0 HA ASP A 50 -11.571 7.717 1.529 1.00 0.17 H new ATOM 0 HB2 ASP A 50 -10.303 9.409 2.850 1.00 0.19 H new ATOM 0 HB3 ASP A 50 -8.799 8.840 2.153 1.00 0.19 H new ATOM 754 N MET A 51 -8.658 6.472 0.617 1.00 0.27 N ATOM 755 CA MET A 51 -7.978 5.828 -0.539 1.00 0.33 C ATOM 756 C MET A 51 -8.686 4.512 -0.859 1.00 0.33 C ATOM 757 O MET A 51 -8.706 4.067 -1.990 1.00 0.35 O ATOM 758 CB MET A 51 -6.515 5.561 -0.184 1.00 0.36 C ATOM 759 CG MET A 51 -5.834 6.877 0.194 1.00 0.41 C ATOM 760 SD MET A 51 -4.040 6.639 0.235 1.00 0.45 S ATOM 761 CE MET A 51 -3.926 6.099 1.959 1.00 0.33 C ATOM 0 H MET A 51 -8.115 6.501 1.480 1.00 0.27 H new ATOM 0 HA MET A 51 -8.018 6.484 -1.409 1.00 0.33 H new ATOM 0 HB2 MET A 51 -6.454 4.856 0.645 1.00 0.36 H new ATOM 0 HB3 MET A 51 -6.002 5.104 -1.030 1.00 0.36 H new ATOM 0 HG2 MET A 51 -6.092 7.653 -0.527 1.00 0.41 H new ATOM 0 HG3 MET A 51 -6.189 7.216 1.167 1.00 0.41 H new ATOM 0 HE1 MET A 51 -2.885 5.892 2.207 1.00 0.33 H new ATOM 0 HE2 MET A 51 -4.306 6.885 2.612 1.00 0.33 H new ATOM 0 HE3 MET A 51 -4.518 5.194 2.097 1.00 0.33 H new ATOM 771 N ILE A 52 -9.279 3.890 0.122 1.00 0.32 N ATOM 772 CA ILE A 52 -9.994 2.616 -0.133 1.00 0.33 C ATOM 773 C ILE A 52 -11.243 2.907 -0.962 1.00 0.38 C ATOM 774 O ILE A 52 -11.565 2.192 -1.881 1.00 0.44 O ATOM 775 CB ILE A 52 -10.395 1.978 1.205 1.00 0.25 C ATOM 776 CG1 ILE A 52 -9.143 1.414 1.884 1.00 0.23 C ATOM 777 CG2 ILE A 52 -11.400 0.846 0.958 1.00 0.26 C ATOM 778 CD1 ILE A 52 -9.459 0.946 3.312 1.00 0.12 C ATOM 0 H ILE A 52 -9.297 4.212 1.090 1.00 0.32 H new ATOM 0 HA ILE A 52 -9.346 1.928 -0.676 1.00 0.33 H new ATOM 0 HB ILE A 52 -10.856 2.730 1.846 1.00 0.25 H new ATOM 0 HG12 ILE A 52 -8.753 0.580 1.301 1.00 0.23 H new ATOM 0 HG13 ILE A 52 -8.364 2.176 1.911 1.00 0.23 H new ATOM 0 HG21 ILE A 52 -11.682 0.396 1.910 1.00 0.26 H new ATOM 0 HG22 ILE A 52 -12.288 1.248 0.469 1.00 0.26 H new ATOM 0 HG23 ILE A 52 -10.945 0.089 0.319 1.00 0.26 H new ATOM 0 HD11 ILE A 52 -8.555 0.550 3.773 1.00 0.12 H new ATOM 0 HD12 ILE A 52 -9.826 1.788 3.898 1.00 0.12 H new ATOM 0 HD13 ILE A 52 -10.221 0.167 3.279 1.00 0.12 H new ATOM 790 N ASN A 53 -11.952 3.944 -0.631 1.00 0.37 N ATOM 791 CA ASN A 53 -13.187 4.269 -1.397 1.00 0.44 C ATOM 792 C ASN A 53 -12.832 4.440 -2.880 1.00 0.50 C ATOM 793 O ASN A 53 -13.608 4.106 -3.754 1.00 0.57 O ATOM 794 CB ASN A 53 -13.821 5.561 -0.825 1.00 0.45 C ATOM 795 CG ASN A 53 -15.350 5.420 -0.757 1.00 0.87 C ATOM 796 OD1 ASN A 53 -15.952 5.681 0.265 1.00 1.62 O ATOM 797 ND2 ASN A 53 -15.998 5.011 -1.812 1.00 1.21 N ATOM 0 H ASN A 53 -11.733 4.581 0.135 1.00 0.37 H new ATOM 0 HA ASN A 53 -13.911 3.460 -1.305 1.00 0.44 H new ATOM 0 HB2 ASN A 53 -13.423 5.760 0.170 1.00 0.45 H new ATOM 0 HB3 ASN A 53 -13.555 6.413 -1.451 1.00 0.45 H new ATOM 0 HD21 ASN A 53 -17.012 4.910 -1.780 1.00 1.21 H new ATOM 0 HD22 ASN A 53 -15.490 4.792 -2.669 1.00 1.21 H new ATOM 804 N GLU A 54 -11.665 4.944 -3.171 1.00 0.47 N ATOM 805 CA GLU A 54 -11.258 5.122 -4.596 1.00 0.53 C ATOM 806 C GLU A 54 -10.759 3.793 -5.160 1.00 0.59 C ATOM 807 O GLU A 54 -11.187 3.344 -6.206 1.00 0.69 O ATOM 808 CB GLU A 54 -10.146 6.178 -4.688 1.00 0.50 C ATOM 809 CG GLU A 54 -10.757 7.583 -4.627 1.00 0.66 C ATOM 810 CD GLU A 54 -9.640 8.627 -4.652 1.00 0.55 C ATOM 811 OE1 GLU A 54 -8.872 8.622 -5.599 1.00 0.68 O ATOM 812 OE2 GLU A 54 -9.574 9.415 -3.723 1.00 1.65 O ATOM 0 H GLU A 54 -10.973 5.241 -2.483 1.00 0.47 H new ATOM 0 HA GLU A 54 -12.118 5.456 -5.177 1.00 0.53 H new ATOM 0 HB2 GLU A 54 -9.437 6.044 -3.871 1.00 0.50 H new ATOM 0 HB3 GLU A 54 -9.590 6.053 -5.617 1.00 0.50 H new ATOM 0 HG2 GLU A 54 -11.430 7.735 -5.471 1.00 0.66 H new ATOM 0 HG3 GLU A 54 -11.352 7.693 -3.720 1.00 0.66 H new ATOM 819 N VAL A 55 -9.846 3.175 -4.478 1.00 0.53 N ATOM 820 CA VAL A 55 -9.289 1.881 -4.964 1.00 0.59 C ATOM 821 C VAL A 55 -10.369 0.816 -4.973 1.00 0.61 C ATOM 822 O VAL A 55 -10.359 -0.109 -5.762 1.00 0.69 O ATOM 823 CB VAL A 55 -8.164 1.435 -4.046 1.00 0.57 C ATOM 824 CG1 VAL A 55 -7.627 0.091 -4.532 1.00 0.64 C ATOM 825 CG2 VAL A 55 -7.056 2.483 -4.072 1.00 0.57 C ATOM 0 H VAL A 55 -9.455 3.509 -3.597 1.00 0.53 H new ATOM 0 HA VAL A 55 -8.911 2.021 -5.977 1.00 0.59 H new ATOM 0 HB VAL A 55 -8.531 1.326 -3.025 1.00 0.57 H new ATOM 0 HG11 VAL A 55 -6.819 -0.236 -3.878 1.00 0.64 H new ATOM 0 HG12 VAL A 55 -8.428 -0.648 -4.516 1.00 0.64 H new ATOM 0 HG13 VAL A 55 -7.250 0.196 -5.549 1.00 0.64 H new ATOM 0 HG21 VAL A 55 -6.244 2.170 -3.415 1.00 0.57 H new ATOM 0 HG22 VAL A 55 -6.679 2.589 -5.089 1.00 0.57 H new ATOM 0 HG23 VAL A 55 -7.452 3.439 -3.730 1.00 0.57 H new ATOM 835 N ASP A 56 -11.291 0.954 -4.099 1.00 0.55 N ATOM 836 CA ASP A 56 -12.410 -0.029 -4.013 1.00 0.58 C ATOM 837 C ASP A 56 -13.412 0.312 -5.102 1.00 0.66 C ATOM 838 O ASP A 56 -14.611 0.252 -4.918 1.00 0.70 O ATOM 839 CB ASP A 56 -13.089 0.047 -2.641 1.00 0.50 C ATOM 840 CG ASP A 56 -14.216 -0.984 -2.576 1.00 0.51 C ATOM 841 OD1 ASP A 56 -13.924 -2.133 -2.284 1.00 0.75 O ATOM 842 OD2 ASP A 56 -15.350 -0.610 -2.822 1.00 1.24 O ATOM 0 H ASP A 56 -11.334 1.714 -3.420 1.00 0.55 H new ATOM 0 HA ASP A 56 -12.027 -1.041 -4.144 1.00 0.58 H new ATOM 0 HB2 ASP A 56 -12.362 -0.142 -1.852 1.00 0.50 H new ATOM 0 HB3 ASP A 56 -13.487 1.048 -2.474 1.00 0.50 H new ATOM 847 N ALA A 57 -12.904 0.676 -6.238 1.00 0.72 N ATOM 848 CA ALA A 57 -13.773 1.044 -7.378 1.00 0.81 C ATOM 849 C ALA A 57 -14.269 -0.230 -8.060 1.00 0.94 C ATOM 850 O ALA A 57 -15.263 -0.232 -8.758 1.00 1.00 O ATOM 851 CB ALA A 57 -12.955 1.896 -8.352 1.00 0.82 C ATOM 0 H ALA A 57 -11.904 0.735 -6.428 1.00 0.72 H new ATOM 0 HA ALA A 57 -14.638 1.615 -7.039 1.00 0.81 H new ATOM 0 HB1 ALA A 57 -13.578 2.178 -9.201 1.00 0.82 H new ATOM 0 HB2 ALA A 57 -12.605 2.795 -7.844 1.00 0.82 H new ATOM 0 HB3 ALA A 57 -12.098 1.323 -8.706 1.00 0.82 H new ATOM 857 N ASP A 58 -13.587 -1.314 -7.841 1.00 1.00 N ATOM 858 CA ASP A 58 -14.001 -2.605 -8.448 1.00 1.13 C ATOM 859 C ASP A 58 -15.139 -3.202 -7.619 1.00 1.19 C ATOM 860 O ASP A 58 -15.874 -4.056 -8.073 1.00 1.29 O ATOM 861 CB ASP A 58 -12.809 -3.575 -8.500 1.00 1.19 C ATOM 862 CG ASP A 58 -13.097 -4.688 -9.513 1.00 1.31 C ATOM 863 OD1 ASP A 58 -13.943 -5.519 -9.227 1.00 2.21 O ATOM 864 OD2 ASP A 58 -12.465 -4.689 -10.556 1.00 0.78 O ATOM 0 H ASP A 58 -12.750 -1.362 -7.260 1.00 1.00 H new ATOM 0 HA ASP A 58 -14.346 -2.436 -9.468 1.00 1.13 H new ATOM 0 HB2 ASP A 58 -11.903 -3.039 -8.781 1.00 1.19 H new ATOM 0 HB3 ASP A 58 -12.633 -4.004 -7.514 1.00 1.19 H new ATOM 869 N GLY A 59 -15.282 -2.753 -6.405 1.00 1.12 N ATOM 870 CA GLY A 59 -16.368 -3.283 -5.529 1.00 1.17 C ATOM 871 C GLY A 59 -15.901 -4.570 -4.838 1.00 1.24 C ATOM 872 O GLY A 59 -16.640 -5.528 -4.739 1.00 1.14 O ATOM 0 H GLY A 59 -14.692 -2.039 -5.978 1.00 1.12 H new ATOM 0 HA2 GLY A 59 -16.641 -2.537 -4.782 1.00 1.17 H new ATOM 0 HA3 GLY A 59 -17.261 -3.482 -6.122 1.00 1.17 H new ATOM 876 N ASN A 60 -14.679 -4.602 -4.355 1.00 1.47 N ATOM 877 CA ASN A 60 -14.162 -5.827 -3.672 1.00 1.60 C ATOM 878 C ASN A 60 -13.412 -5.415 -2.412 1.00 1.49 C ATOM 879 O ASN A 60 -13.978 -5.279 -1.344 1.00 2.54 O ATOM 880 CB ASN A 60 -13.209 -6.568 -4.610 1.00 1.64 C ATOM 881 CG ASN A 60 -14.012 -7.237 -5.727 1.00 2.08 C ATOM 882 OD1 ASN A 60 -14.253 -8.428 -5.689 1.00 2.52 O ATOM 883 ND2 ASN A 60 -14.440 -6.517 -6.726 1.00 2.91 N ATOM 0 H ASN A 60 -14.017 -3.827 -4.406 1.00 1.47 H new ATOM 0 HA ASN A 60 -14.994 -6.481 -3.409 1.00 1.60 H new ATOM 0 HB2 ASN A 60 -12.485 -5.872 -5.034 1.00 1.64 H new ATOM 0 HB3 ASN A 60 -12.644 -7.317 -4.055 1.00 1.64 H new ATOM 0 HD21 ASN A 60 -14.977 -6.953 -7.476 1.00 2.91 H new ATOM 0 HD22 ASN A 60 -14.238 -5.518 -6.758 1.00 2.91 H new ATOM 890 N GLY A 61 -12.139 -5.217 -2.541 1.00 0.34 N ATOM 891 CA GLY A 61 -11.306 -4.806 -1.360 1.00 0.31 C ATOM 892 C GLY A 61 -9.908 -5.458 -1.426 1.00 0.17 C ATOM 893 O GLY A 61 -9.481 -6.088 -0.480 1.00 0.15 O ATOM 0 H GLY A 61 -11.624 -5.320 -3.415 1.00 0.34 H new ATOM 0 HA2 GLY A 61 -11.206 -3.721 -1.339 1.00 0.31 H new ATOM 0 HA3 GLY A 61 -11.806 -5.098 -0.437 1.00 0.31 H new ATOM 897 N THR A 62 -9.183 -5.321 -2.523 1.00 0.16 N ATOM 898 CA THR A 62 -7.826 -5.939 -2.615 1.00 0.15 C ATOM 899 C THR A 62 -6.879 -4.962 -3.325 1.00 0.17 C ATOM 900 O THR A 62 -7.316 -4.062 -4.016 1.00 0.20 O ATOM 901 CB THR A 62 -7.926 -7.234 -3.420 1.00 0.26 C ATOM 902 OG1 THR A 62 -8.367 -6.938 -4.738 1.00 0.32 O ATOM 903 CG2 THR A 62 -8.924 -8.179 -2.746 1.00 0.48 C ATOM 0 H THR A 62 -9.480 -4.807 -3.353 1.00 0.16 H new ATOM 0 HA THR A 62 -7.443 -6.157 -1.618 1.00 0.15 H new ATOM 0 HB THR A 62 -6.948 -7.712 -3.463 1.00 0.26 H new ATOM 0 HG1 THR A 62 -8.430 -7.768 -5.256 1.00 0.32 H new ATOM 0 HG21 THR A 62 -8.995 -9.103 -3.320 1.00 0.48 H new ATOM 0 HG22 THR A 62 -8.585 -8.405 -1.735 1.00 0.48 H new ATOM 0 HG23 THR A 62 -9.903 -7.703 -2.702 1.00 0.48 H new ATOM 911 N ILE A 63 -5.588 -5.121 -3.156 1.00 0.14 N ATOM 912 CA ILE A 63 -4.614 -4.190 -3.816 1.00 0.16 C ATOM 913 C ILE A 63 -3.410 -4.988 -4.326 1.00 0.13 C ATOM 914 O ILE A 63 -2.885 -5.839 -3.637 1.00 0.10 O ATOM 915 CB ILE A 63 -4.143 -3.159 -2.780 1.00 0.15 C ATOM 916 CG1 ILE A 63 -5.332 -2.782 -1.884 1.00 0.17 C ATOM 917 CG2 ILE A 63 -3.589 -1.904 -3.478 1.00 0.17 C ATOM 918 CD1 ILE A 63 -4.962 -1.603 -0.981 1.00 0.24 C ATOM 0 H ILE A 63 -5.165 -5.856 -2.589 1.00 0.14 H new ATOM 0 HA ILE A 63 -5.091 -3.685 -4.656 1.00 0.16 H new ATOM 0 HB ILE A 63 -3.344 -3.590 -2.177 1.00 0.15 H new ATOM 0 HG12 ILE A 63 -6.192 -2.521 -2.500 1.00 0.17 H new ATOM 0 HG13 ILE A 63 -5.624 -3.638 -1.275 1.00 0.17 H new ATOM 0 HG21 ILE A 63 -3.260 -1.185 -2.727 1.00 0.17 H new ATOM 0 HG22 ILE A 63 -2.745 -2.181 -4.109 1.00 0.17 H new ATOM 0 HG23 ILE A 63 -4.369 -1.455 -4.093 1.00 0.17 H new ATOM 0 HD11 ILE A 63 -5.814 -1.346 -0.351 1.00 0.24 H new ATOM 0 HD12 ILE A 63 -4.115 -1.878 -0.352 1.00 0.24 H new ATOM 0 HD13 ILE A 63 -4.693 -0.744 -1.596 1.00 0.24 H new ATOM 930 N ASP A 64 -2.961 -4.705 -5.518 1.00 0.16 N ATOM 931 CA ASP A 64 -1.772 -5.418 -6.081 1.00 0.15 C ATOM 932 C ASP A 64 -0.543 -4.495 -5.947 1.00 0.14 C ATOM 933 O ASP A 64 -0.677 -3.322 -5.656 1.00 0.14 O ATOM 934 CB ASP A 64 -2.045 -5.769 -7.551 1.00 0.18 C ATOM 935 CG ASP A 64 -2.195 -4.491 -8.380 1.00 0.21 C ATOM 936 OD1 ASP A 64 -2.010 -3.423 -7.823 1.00 0.12 O ATOM 937 OD2 ASP A 64 -2.492 -4.603 -9.557 1.00 0.32 O ATOM 0 H ASP A 64 -3.370 -4.003 -6.135 1.00 0.16 H new ATOM 0 HA ASP A 64 -1.580 -6.345 -5.540 1.00 0.15 H new ATOM 0 HB2 ASP A 64 -1.229 -6.374 -7.946 1.00 0.18 H new ATOM 0 HB3 ASP A 64 -2.952 -6.369 -7.627 1.00 0.18 H new ATOM 942 N PHE A 65 0.650 -5.012 -6.114 1.00 0.13 N ATOM 943 CA PHE A 65 1.871 -4.151 -5.948 1.00 0.12 C ATOM 944 C PHE A 65 1.893 -2.937 -6.910 1.00 0.10 C ATOM 945 O PHE A 65 2.193 -1.851 -6.456 1.00 0.08 O ATOM 946 CB PHE A 65 3.156 -4.998 -6.085 1.00 0.12 C ATOM 947 CG PHE A 65 4.366 -4.190 -5.657 1.00 0.11 C ATOM 948 CD1 PHE A 65 4.493 -3.750 -4.330 1.00 1.78 C ATOM 949 CD2 PHE A 65 5.371 -3.887 -6.589 1.00 1.92 C ATOM 950 CE1 PHE A 65 5.617 -3.008 -3.941 1.00 1.77 C ATOM 951 CE2 PHE A 65 6.493 -3.148 -6.198 1.00 1.92 C ATOM 952 CZ PHE A 65 6.616 -2.708 -4.877 1.00 0.10 C ATOM 0 H PHE A 65 0.834 -5.985 -6.356 1.00 0.13 H new ATOM 0 HA PHE A 65 1.830 -3.737 -4.941 1.00 0.12 H new ATOM 0 HB2 PHE A 65 3.075 -5.896 -5.473 1.00 0.12 H new ATOM 0 HB3 PHE A 65 3.276 -5.326 -7.118 1.00 0.12 H new ATOM 0 HD1 PHE A 65 3.724 -3.983 -3.608 1.00 1.78 H new ATOM 0 HD2 PHE A 65 5.278 -4.225 -7.610 1.00 1.92 H new ATOM 0 HE1 PHE A 65 5.713 -2.668 -2.921 1.00 1.77 H new ATOM 0 HE2 PHE A 65 7.265 -2.917 -6.918 1.00 1.92 H new ATOM 0 HZ PHE A 65 7.482 -2.136 -4.577 1.00 0.10 H new ATOM 962 N PRO A 66 1.584 -3.089 -8.192 1.00 0.12 N ATOM 963 CA PRO A 66 1.600 -1.918 -9.091 1.00 0.10 C ATOM 964 C PRO A 66 0.761 -0.785 -8.483 1.00 0.11 C ATOM 965 O PRO A 66 1.232 0.322 -8.306 1.00 0.13 O ATOM 966 CB PRO A 66 1.006 -2.422 -10.427 1.00 0.09 C ATOM 967 CG PRO A 66 0.794 -3.956 -10.290 1.00 0.12 C ATOM 968 CD PRO A 66 1.202 -4.361 -8.852 1.00 0.15 C ATOM 0 HA PRO A 66 2.601 -1.513 -9.241 1.00 0.10 H new ATOM 0 HB2 PRO A 66 0.062 -1.921 -10.641 1.00 0.09 H new ATOM 0 HB3 PRO A 66 1.679 -2.200 -11.255 1.00 0.09 H new ATOM 0 HG2 PRO A 66 -0.247 -4.217 -10.480 1.00 0.12 H new ATOM 0 HG3 PRO A 66 1.396 -4.492 -11.024 1.00 0.12 H new ATOM 0 HD2 PRO A 66 0.378 -4.846 -8.329 1.00 0.15 H new ATOM 0 HD3 PRO A 66 2.033 -5.067 -8.861 1.00 0.15 H new ATOM 976 N GLU A 67 -0.477 -1.050 -8.161 1.00 0.10 N ATOM 977 CA GLU A 67 -1.333 0.012 -7.566 1.00 0.11 C ATOM 978 C GLU A 67 -0.724 0.468 -6.238 1.00 0.10 C ATOM 979 O GLU A 67 -0.847 1.614 -5.854 1.00 0.09 O ATOM 980 CB GLU A 67 -2.745 -0.528 -7.326 1.00 0.10 C ATOM 981 CG GLU A 67 -3.422 -0.802 -8.670 1.00 0.11 C ATOM 982 CD GLU A 67 -4.670 -1.658 -8.451 1.00 0.13 C ATOM 983 OE1 GLU A 67 -4.544 -2.710 -7.846 1.00 0.34 O ATOM 984 OE2 GLU A 67 -5.731 -1.247 -8.889 1.00 0.18 O ATOM 0 H GLU A 67 -0.930 -1.955 -8.285 1.00 0.10 H new ATOM 0 HA GLU A 67 -1.389 0.857 -8.253 1.00 0.11 H new ATOM 0 HB2 GLU A 67 -2.700 -1.443 -6.736 1.00 0.10 H new ATOM 0 HB3 GLU A 67 -3.329 0.192 -6.753 1.00 0.10 H new ATOM 0 HG2 GLU A 67 -3.693 0.138 -9.150 1.00 0.11 H new ATOM 0 HG3 GLU A 67 -2.730 -1.314 -9.339 1.00 0.11 H new ATOM 991 N PHE A 68 -0.060 -0.411 -5.534 1.00 0.11 N ATOM 992 CA PHE A 68 0.553 0.004 -4.243 1.00 0.10 C ATOM 993 C PHE A 68 1.625 1.052 -4.539 1.00 0.10 C ATOM 994 O PHE A 68 1.792 2.006 -3.803 1.00 0.09 O ATOM 995 CB PHE A 68 1.177 -1.202 -3.525 1.00 0.09 C ATOM 996 CG PHE A 68 1.589 -0.794 -2.128 1.00 0.07 C ATOM 997 CD1 PHE A 68 0.641 -0.782 -1.097 1.00 0.07 C ATOM 998 CD2 PHE A 68 2.913 -0.423 -1.866 1.00 0.06 C ATOM 999 CE1 PHE A 68 1.018 -0.402 0.197 1.00 0.07 C ATOM 1000 CE2 PHE A 68 3.288 -0.042 -0.569 1.00 0.05 C ATOM 1001 CZ PHE A 68 2.340 -0.032 0.461 1.00 0.05 C ATOM 0 H PHE A 68 0.082 -1.387 -5.795 1.00 0.11 H new ATOM 0 HA PHE A 68 -0.213 0.420 -3.589 1.00 0.10 H new ATOM 0 HB2 PHE A 68 0.462 -2.023 -3.480 1.00 0.09 H new ATOM 0 HB3 PHE A 68 2.042 -1.563 -4.081 1.00 0.09 H new ATOM 0 HD1 PHE A 68 -0.381 -1.066 -1.300 1.00 0.07 H new ATOM 0 HD2 PHE A 68 3.644 -0.430 -2.661 1.00 0.06 H new ATOM 0 HE1 PHE A 68 0.287 -0.395 0.992 1.00 0.07 H new ATOM 0 HE2 PHE A 68 4.309 0.244 -0.365 1.00 0.05 H new ATOM 0 HZ PHE A 68 2.630 0.261 1.459 1.00 0.05 H new ATOM 1011 N LEU A 69 2.343 0.896 -5.620 1.00 0.12 N ATOM 1012 CA LEU A 69 3.386 1.905 -5.962 1.00 0.13 C ATOM 1013 C LEU A 69 2.701 3.223 -6.328 1.00 0.13 C ATOM 1014 O LEU A 69 3.263 4.288 -6.180 1.00 0.11 O ATOM 1015 CB LEU A 69 4.214 1.427 -7.163 1.00 0.14 C ATOM 1016 CG LEU A 69 5.142 0.266 -6.771 1.00 0.23 C ATOM 1017 CD1 LEU A 69 5.917 -0.183 -8.015 1.00 0.24 C ATOM 1018 CD2 LEU A 69 6.134 0.708 -5.677 1.00 0.26 C ATOM 0 H LEU A 69 2.253 0.120 -6.276 1.00 0.12 H new ATOM 0 HA LEU A 69 4.044 2.042 -5.104 1.00 0.13 H new ATOM 0 HB2 LEU A 69 3.547 1.109 -7.964 1.00 0.14 H new ATOM 0 HB3 LEU A 69 4.807 2.255 -7.552 1.00 0.14 H new ATOM 0 HG LEU A 69 4.543 -0.556 -6.379 1.00 0.23 H new ATOM 0 HD11 LEU A 69 6.580 -1.007 -7.753 1.00 0.24 H new ATOM 0 HD12 LEU A 69 5.215 -0.512 -8.782 1.00 0.24 H new ATOM 0 HD13 LEU A 69 6.507 0.650 -8.397 1.00 0.24 H new ATOM 0 HD21 LEU A 69 6.782 -0.128 -5.414 1.00 0.26 H new ATOM 0 HD22 LEU A 69 6.741 1.534 -6.048 1.00 0.26 H new ATOM 0 HD23 LEU A 69 5.582 1.031 -4.794 1.00 0.26 H new ATOM 1030 N THR A 70 1.486 3.160 -6.810 1.00 0.15 N ATOM 1031 CA THR A 70 0.769 4.406 -7.187 1.00 0.15 C ATOM 1032 C THR A 70 0.364 5.153 -5.916 1.00 0.14 C ATOM 1033 O THR A 70 0.222 6.360 -5.910 1.00 0.11 O ATOM 1034 CB THR A 70 -0.472 4.042 -8.010 1.00 0.16 C ATOM 1035 OG1 THR A 70 -0.067 3.369 -9.194 1.00 0.24 O ATOM 1036 CG2 THR A 70 -1.241 5.311 -8.385 1.00 0.25 C ATOM 0 H THR A 70 0.963 2.297 -6.957 1.00 0.15 H new ATOM 0 HA THR A 70 1.416 5.047 -7.786 1.00 0.15 H new ATOM 0 HB THR A 70 -1.119 3.394 -7.418 1.00 0.16 H new ATOM 0 HG1 THR A 70 -0.858 3.133 -9.723 1.00 0.24 H new ATOM 0 HG21 THR A 70 -2.121 5.044 -8.970 1.00 0.25 H new ATOM 0 HG22 THR A 70 -1.552 5.830 -7.478 1.00 0.25 H new ATOM 0 HG23 THR A 70 -0.599 5.965 -8.975 1.00 0.25 H new ATOM 1044 N MET A 71 0.197 4.446 -4.833 1.00 0.22 N ATOM 1045 CA MET A 71 -0.178 5.123 -3.555 1.00 0.23 C ATOM 1046 C MET A 71 1.057 5.829 -2.987 1.00 0.22 C ATOM 1047 O MET A 71 0.999 6.970 -2.568 1.00 0.23 O ATOM 1048 CB MET A 71 -0.691 4.093 -2.528 1.00 0.35 C ATOM 1049 CG MET A 71 -2.052 3.494 -2.976 1.00 0.68 C ATOM 1050 SD MET A 71 -3.250 3.593 -1.611 1.00 0.85 S ATOM 1051 CE MET A 71 -3.971 1.941 -1.793 1.00 0.51 C ATOM 0 H MET A 71 0.303 3.433 -4.775 1.00 0.22 H new ATOM 0 HA MET A 71 -0.970 5.845 -3.753 1.00 0.23 H new ATOM 0 HB2 MET A 71 0.041 3.294 -2.411 1.00 0.35 H new ATOM 0 HB3 MET A 71 -0.802 4.569 -1.554 1.00 0.35 H new ATOM 0 HG2 MET A 71 -2.430 4.035 -3.843 1.00 0.68 H new ATOM 0 HG3 MET A 71 -1.920 2.456 -3.281 1.00 0.68 H new ATOM 0 HE1 MET A 71 -4.975 1.933 -1.368 1.00 0.51 H new ATOM 0 HE2 MET A 71 -4.023 1.681 -2.850 1.00 0.51 H new ATOM 0 HE3 MET A 71 -3.350 1.213 -1.270 1.00 0.51 H new ATOM 1061 N MET A 72 2.180 5.159 -2.978 1.00 0.22 N ATOM 1062 CA MET A 72 3.421 5.787 -2.444 1.00 0.24 C ATOM 1063 C MET A 72 3.803 6.985 -3.317 1.00 0.18 C ATOM 1064 O MET A 72 4.305 7.979 -2.831 1.00 0.18 O ATOM 1065 CB MET A 72 4.566 4.768 -2.456 1.00 0.32 C ATOM 1066 CG MET A 72 4.134 3.472 -1.760 1.00 0.43 C ATOM 1067 SD MET A 72 3.526 3.838 -0.091 1.00 0.55 S ATOM 1068 CE MET A 72 5.133 3.831 0.742 1.00 0.27 C ATOM 0 H MET A 72 2.290 4.204 -3.318 1.00 0.22 H new ATOM 0 HA MET A 72 3.242 6.119 -1.421 1.00 0.24 H new ATOM 0 HB2 MET A 72 4.862 4.556 -3.483 1.00 0.32 H new ATOM 0 HB3 MET A 72 5.438 5.185 -1.953 1.00 0.32 H new ATOM 0 HG2 MET A 72 3.354 2.980 -2.341 1.00 0.43 H new ATOM 0 HG3 MET A 72 4.975 2.781 -1.706 1.00 0.43 H new ATOM 0 HE1 MET A 72 4.986 3.718 1.816 1.00 0.27 H new ATOM 0 HE2 MET A 72 5.733 3.001 0.369 1.00 0.27 H new ATOM 0 HE3 MET A 72 5.650 4.770 0.544 1.00 0.27 H new ATOM 1078 N ALA A 73 3.573 6.905 -4.602 1.00 0.15 N ATOM 1079 CA ALA A 73 3.933 8.046 -5.485 1.00 0.15 C ATOM 1080 C ALA A 73 3.038 9.244 -5.160 1.00 0.10 C ATOM 1081 O ALA A 73 3.449 10.384 -5.274 1.00 0.13 O ATOM 1082 CB ALA A 73 3.753 7.635 -6.949 1.00 0.19 C ATOM 0 H ALA A 73 3.154 6.103 -5.073 1.00 0.15 H new ATOM 0 HA ALA A 73 4.974 8.325 -5.320 1.00 0.15 H new ATOM 0 HB1 ALA A 73 4.017 8.471 -7.597 1.00 0.19 H new ATOM 0 HB2 ALA A 73 4.400 6.786 -7.171 1.00 0.19 H new ATOM 0 HB3 ALA A 73 2.714 7.355 -7.123 1.00 0.19 H new ATOM 1088 N ARG A 74 1.821 9.002 -4.749 1.00 0.11 N ATOM 1089 CA ARG A 74 0.917 10.135 -4.410 1.00 0.18 C ATOM 1090 C ARG A 74 1.480 10.877 -3.198 1.00 0.17 C ATOM 1091 O ARG A 74 1.352 12.079 -3.074 1.00 0.16 O ATOM 1092 CB ARG A 74 -0.493 9.607 -4.080 1.00 0.34 C ATOM 1093 CG ARG A 74 -1.241 9.158 -5.370 1.00 0.28 C ATOM 1094 CD ARG A 74 -2.614 9.839 -5.458 1.00 1.07 C ATOM 1095 NE ARG A 74 -3.357 9.660 -4.165 1.00 1.90 N ATOM 1096 CZ ARG A 74 -3.615 8.474 -3.678 1.00 3.28 C ATOM 1097 NH1 ARG A 74 -3.400 7.402 -4.389 1.00 4.16 N ATOM 1098 NH2 ARG A 74 -4.146 8.365 -2.489 1.00 4.18 N ATOM 0 H ARG A 74 1.417 8.072 -4.634 1.00 0.11 H new ATOM 0 HA ARG A 74 0.850 10.811 -5.262 1.00 0.18 H new ATOM 0 HB2 ARG A 74 -0.418 8.767 -3.389 1.00 0.34 H new ATOM 0 HB3 ARG A 74 -1.067 10.384 -3.575 1.00 0.34 H new ATOM 0 HG2 ARG A 74 -0.647 9.409 -6.249 1.00 0.28 H new ATOM 0 HG3 ARG A 74 -1.365 8.075 -5.368 1.00 0.28 H new ATOM 0 HD2 ARG A 74 -2.490 10.901 -5.672 1.00 1.07 H new ATOM 0 HD3 ARG A 74 -3.189 9.413 -6.280 1.00 1.07 H new ATOM 0 HE ARG A 74 -3.669 10.485 -3.653 1.00 1.90 H new ATOM 0 HH11 ARG A 74 -3.027 7.484 -5.335 1.00 4.16 H new ATOM 0 HH12 ARG A 74 -3.605 6.482 -3.999 1.00 4.16 H new ATOM 0 HH21 ARG A 74 -4.357 9.202 -1.946 1.00 4.18 H new ATOM 0 HH22 ARG A 74 -4.349 7.443 -2.104 1.00 4.18 H new ATOM 1112 N LYS A 75 2.106 10.165 -2.307 1.00 0.23 N ATOM 1113 CA LYS A 75 2.688 10.817 -1.099 1.00 0.31 C ATOM 1114 C LYS A 75 4.023 11.457 -1.466 1.00 0.31 C ATOM 1115 O LYS A 75 4.284 12.606 -1.169 1.00 0.36 O ATOM 1116 CB LYS A 75 2.903 9.760 -0.003 1.00 0.38 C ATOM 1117 CG LYS A 75 1.571 9.452 0.708 1.00 0.50 C ATOM 1118 CD LYS A 75 1.318 10.464 1.844 1.00 1.19 C ATOM 1119 CE LYS A 75 2.011 10.002 3.132 1.00 1.65 C ATOM 1120 NZ LYS A 75 1.223 8.901 3.754 1.00 1.03 N ATOM 0 H LYS A 75 2.241 9.155 -2.361 1.00 0.23 H new ATOM 0 HA LYS A 75 2.008 11.585 -0.731 1.00 0.31 H new ATOM 0 HB2 LYS A 75 3.309 8.848 -0.441 1.00 0.38 H new ATOM 0 HB3 LYS A 75 3.635 10.119 0.720 1.00 0.38 H new ATOM 0 HG2 LYS A 75 0.752 9.490 -0.010 1.00 0.50 H new ATOM 0 HG3 LYS A 75 1.594 8.440 1.113 1.00 0.50 H new ATOM 0 HD2 LYS A 75 1.691 11.447 1.555 1.00 1.19 H new ATOM 0 HD3 LYS A 75 0.247 10.567 2.016 1.00 1.19 H new ATOM 0 HE2 LYS A 75 3.022 9.660 2.911 1.00 1.65 H new ATOM 0 HE3 LYS A 75 2.102 10.836 3.828 1.00 1.65 H new ATOM 0 HZ1 LYS A 75 1.526 8.772 4.740 1.00 1.03 H new ATOM 0 HZ2 LYS A 75 0.212 9.142 3.731 1.00 1.03 H new ATOM 0 HZ3 LYS A 75 1.381 8.020 3.225 1.00 1.03 H new ATOM 1134 N MET A 76 4.818 10.742 -2.183 1.00 0.32 N ATOM 1135 CA MET A 76 6.139 11.273 -2.642 1.00 0.51 C ATOM 1136 C MET A 76 5.978 12.364 -3.754 1.00 0.70 C ATOM 1137 O MET A 76 6.775 13.273 -3.828 1.00 0.80 O ATOM 1138 CB MET A 76 6.993 10.069 -3.127 1.00 0.46 C ATOM 1139 CG MET A 76 6.882 8.900 -2.128 1.00 0.30 C ATOM 1140 SD MET A 76 8.321 8.916 -1.028 1.00 1.10 S ATOM 1141 CE MET A 76 8.710 7.153 -1.133 1.00 0.80 C ATOM 0 H MET A 76 4.616 9.789 -2.484 1.00 0.32 H new ATOM 0 HA MET A 76 6.643 11.774 -1.815 1.00 0.51 H new ATOM 0 HB2 MET A 76 6.655 9.748 -4.112 1.00 0.46 H new ATOM 0 HB3 MET A 76 8.035 10.371 -3.230 1.00 0.46 H new ATOM 0 HG2 MET A 76 5.964 8.989 -1.547 1.00 0.30 H new ATOM 0 HG3 MET A 76 6.830 7.952 -2.664 1.00 0.30 H new ATOM 0 HE1 MET A 76 9.583 6.936 -0.517 1.00 0.80 H new ATOM 0 HE2 MET A 76 7.860 6.571 -0.776 1.00 0.80 H new ATOM 0 HE3 MET A 76 8.922 6.888 -2.169 1.00 0.80 H new ATOM 1151 N LYS A 77 4.984 12.292 -4.623 1.00 1.59 N ATOM 1152 CA LYS A 77 4.845 13.362 -5.714 1.00 1.92 C ATOM 1153 C LYS A 77 4.511 14.762 -5.140 1.00 2.24 C ATOM 1154 O LYS A 77 5.093 15.763 -5.506 1.00 2.69 O ATOM 1155 CB LYS A 77 3.781 12.936 -6.747 1.00 2.41 C ATOM 1156 CG LYS A 77 2.369 13.393 -6.334 1.00 1.99 C ATOM 1157 CD LYS A 77 1.393 13.182 -7.501 1.00 2.32 C ATOM 1158 CE LYS A 77 1.595 11.796 -8.121 1.00 3.19 C ATOM 1159 NZ LYS A 77 0.407 11.449 -8.952 1.00 4.17 N ATOM 0 H LYS A 77 4.272 11.562 -4.636 1.00 1.59 H new ATOM 0 HA LYS A 77 5.815 13.445 -6.204 1.00 1.92 H new ATOM 0 HB2 LYS A 77 4.030 13.358 -7.721 1.00 2.41 H new ATOM 0 HB3 LYS A 77 3.795 11.852 -6.857 1.00 2.41 H new ATOM 0 HG2 LYS A 77 2.035 12.831 -5.462 1.00 1.99 H new ATOM 0 HG3 LYS A 77 2.386 14.445 -6.048 1.00 1.99 H new ATOM 0 HD2 LYS A 77 0.367 13.284 -7.148 1.00 2.32 H new ATOM 0 HD3 LYS A 77 1.548 13.952 -8.257 1.00 2.32 H new ATOM 0 HE2 LYS A 77 2.497 11.787 -8.734 1.00 3.19 H new ATOM 0 HE3 LYS A 77 1.735 11.051 -7.337 1.00 3.19 H new ATOM 0 HZ1 LYS A 77 0.542 10.508 -9.374 1.00 4.17 H new ATOM 0 HZ2 LYS A 77 -0.444 11.442 -8.355 1.00 4.17 H new ATOM 0 HZ3 LYS A 77 0.294 12.155 -9.708 1.00 4.17 H new ATOM 1173 N ASP A 78 3.623 14.793 -4.214 1.00 0.93 N ATOM 1174 CA ASP A 78 3.227 16.049 -3.510 1.00 0.77 C ATOM 1175 C ASP A 78 4.438 16.931 -3.250 1.00 0.56 C ATOM 1176 O ASP A 78 4.407 18.132 -3.430 1.00 0.50 O ATOM 1177 CB ASP A 78 2.543 15.708 -2.185 1.00 0.81 C ATOM 1178 CG ASP A 78 2.017 16.990 -1.536 1.00 0.71 C ATOM 1179 OD1 ASP A 78 2.830 17.804 -1.132 1.00 0.88 O ATOM 1180 OD2 ASP A 78 0.808 17.134 -1.455 1.00 1.61 O ATOM 0 H ASP A 78 3.123 13.965 -3.891 1.00 0.93 H new ATOM 0 HA ASP A 78 2.533 16.595 -4.149 1.00 0.77 H new ATOM 0 HB2 ASP A 78 1.722 15.011 -2.356 1.00 0.81 H new ATOM 0 HB3 ASP A 78 3.248 15.212 -1.517 1.00 0.81 H new ATOM 1185 N THR A 79 5.499 16.336 -2.835 1.00 0.59 N ATOM 1186 CA THR A 79 6.748 17.109 -2.554 1.00 0.52 C ATOM 1187 C THR A 79 7.598 17.161 -3.815 1.00 0.51 C ATOM 1188 O THR A 79 8.810 17.078 -3.775 1.00 0.52 O ATOM 1189 CB THR A 79 7.538 16.438 -1.423 1.00 0.66 C ATOM 1190 OG1 THR A 79 8.804 17.066 -1.297 1.00 0.79 O ATOM 1191 CG2 THR A 79 7.737 14.947 -1.729 1.00 1.05 C ATOM 0 H THR A 79 5.570 15.332 -2.671 1.00 0.59 H new ATOM 0 HA THR A 79 6.486 18.121 -2.247 1.00 0.52 H new ATOM 0 HB THR A 79 6.981 16.538 -0.491 1.00 0.66 H new ATOM 0 HG1 THR A 79 8.920 17.717 -2.020 1.00 0.79 H new ATOM 0 HG21 THR A 79 8.299 14.481 -0.919 1.00 1.05 H new ATOM 0 HG22 THR A 79 6.765 14.462 -1.822 1.00 1.05 H new ATOM 0 HG23 THR A 79 8.288 14.838 -2.663 1.00 1.05 H new ATOM 1199 N ASP A 80 6.957 17.307 -4.936 1.00 0.54 N ATOM 1200 CA ASP A 80 7.691 17.379 -6.231 1.00 0.59 C ATOM 1201 C ASP A 80 8.894 18.302 -6.088 1.00 0.48 C ATOM 1202 O ASP A 80 9.041 19.012 -5.113 1.00 0.44 O ATOM 1203 CB ASP A 80 6.752 17.914 -7.318 1.00 0.69 C ATOM 1204 CG ASP A 80 5.916 19.064 -6.752 1.00 2.54 C ATOM 1205 OD1 ASP A 80 6.497 20.069 -6.385 1.00 3.42 O ATOM 1206 OD2 ASP A 80 4.705 18.916 -6.695 1.00 3.48 O ATOM 0 H ASP A 80 5.943 17.381 -5.014 1.00 0.54 H new ATOM 0 HA ASP A 80 8.037 16.384 -6.509 1.00 0.59 H new ATOM 0 HB2 ASP A 80 7.330 18.259 -8.175 1.00 0.69 H new ATOM 0 HB3 ASP A 80 6.099 17.117 -7.674 1.00 0.69 H new ATOM 1211 N SER A 81 9.744 18.306 -7.066 1.00 0.51 N ATOM 1212 CA SER A 81 10.930 19.188 -7.014 1.00 0.43 C ATOM 1213 C SER A 81 10.446 20.571 -7.379 1.00 0.54 C ATOM 1214 O SER A 81 11.059 21.582 -7.093 1.00 0.61 O ATOM 1215 CB SER A 81 11.970 18.694 -8.016 1.00 0.51 C ATOM 1216 OG SER A 81 13.244 19.213 -7.668 1.00 0.67 O ATOM 0 H SER A 81 9.667 17.732 -7.905 1.00 0.51 H new ATOM 0 HA SER A 81 11.396 19.192 -6.029 1.00 0.43 H new ATOM 0 HB2 SER A 81 11.998 17.604 -8.020 1.00 0.51 H new ATOM 0 HB3 SER A 81 11.699 19.010 -9.023 1.00 0.51 H new ATOM 0 HG SER A 81 13.913 18.895 -8.310 1.00 0.67 H new ATOM 1222 N GLU A 82 9.320 20.592 -8.007 1.00 0.69 N ATOM 1223 CA GLU A 82 8.695 21.866 -8.428 1.00 0.93 C ATOM 1224 C GLU A 82 8.547 22.780 -7.206 1.00 0.99 C ATOM 1225 O GLU A 82 8.753 23.975 -7.279 1.00 1.10 O ATOM 1226 CB GLU A 82 7.320 21.532 -9.049 1.00 1.25 C ATOM 1227 CG GLU A 82 7.387 21.612 -10.581 1.00 0.98 C ATOM 1228 CD GLU A 82 5.990 21.391 -11.168 1.00 1.45 C ATOM 1229 OE1 GLU A 82 5.029 21.545 -10.432 1.00 2.55 O ATOM 1230 OE2 GLU A 82 5.906 21.075 -12.342 1.00 1.28 O ATOM 0 H GLU A 82 8.788 19.758 -8.255 1.00 0.69 H new ATOM 0 HA GLU A 82 9.306 22.387 -9.165 1.00 0.93 H new ATOM 0 HB2 GLU A 82 7.010 20.532 -8.745 1.00 1.25 H new ATOM 0 HB3 GLU A 82 6.567 22.226 -8.675 1.00 1.25 H new ATOM 0 HG2 GLU A 82 7.772 22.584 -10.888 1.00 0.98 H new ATOM 0 HG3 GLU A 82 8.077 20.860 -10.965 1.00 0.98 H new ATOM 1237 N GLU A 83 8.198 22.218 -6.090 1.00 0.99 N ATOM 1238 CA GLU A 83 8.039 23.045 -4.856 1.00 1.23 C ATOM 1239 C GLU A 83 9.403 23.617 -4.450 1.00 1.13 C ATOM 1240 O GLU A 83 9.492 24.579 -3.717 1.00 1.37 O ATOM 1241 CB GLU A 83 7.437 22.187 -3.716 1.00 1.33 C ATOM 1242 CG GLU A 83 8.527 21.418 -2.957 1.00 3.39 C ATOM 1243 CD GLU A 83 7.874 20.379 -2.044 1.00 3.65 C ATOM 1244 OE1 GLU A 83 6.776 20.638 -1.578 1.00 3.28 O ATOM 1245 OE2 GLU A 83 8.481 19.344 -1.828 1.00 4.48 O ATOM 0 H GLU A 83 8.014 21.222 -5.972 1.00 0.99 H new ATOM 0 HA GLU A 83 7.356 23.872 -5.053 1.00 1.23 H new ATOM 0 HB2 GLU A 83 6.894 22.830 -3.023 1.00 1.33 H new ATOM 0 HB3 GLU A 83 6.715 21.483 -4.131 1.00 1.33 H new ATOM 0 HG2 GLU A 83 9.199 20.928 -3.661 1.00 3.39 H new ATOM 0 HG3 GLU A 83 9.131 22.108 -2.368 1.00 3.39 H new ATOM 1252 N GLU A 84 10.459 23.021 -4.926 1.00 0.80 N ATOM 1253 CA GLU A 84 11.828 23.509 -4.581 1.00 0.83 C ATOM 1254 C GLU A 84 12.233 24.638 -5.526 1.00 0.76 C ATOM 1255 O GLU A 84 12.545 25.736 -5.108 1.00 0.70 O ATOM 1256 CB GLU A 84 12.835 22.362 -4.708 1.00 0.70 C ATOM 1257 CG GLU A 84 12.363 21.162 -3.887 1.00 0.81 C ATOM 1258 CD GLU A 84 12.205 21.573 -2.422 1.00 0.58 C ATOM 1259 OE1 GLU A 84 13.060 22.294 -1.934 1.00 1.22 O ATOM 1260 OE2 GLU A 84 11.235 21.155 -1.810 1.00 1.65 O ATOM 0 H GLU A 84 10.435 22.210 -5.544 1.00 0.80 H new ATOM 0 HA GLU A 84 11.821 23.879 -3.556 1.00 0.83 H new ATOM 0 HB2 GLU A 84 12.945 22.077 -5.754 1.00 0.70 H new ATOM 0 HB3 GLU A 84 13.816 22.688 -4.362 1.00 0.70 H new ATOM 0 HG2 GLU A 84 11.414 20.793 -4.276 1.00 0.81 H new ATOM 0 HG3 GLU A 84 13.081 20.346 -3.971 1.00 0.81 H new ATOM 1267 N ILE A 85 12.232 24.373 -6.799 1.00 0.77 N ATOM 1268 CA ILE A 85 12.622 25.429 -7.778 1.00 0.71 C ATOM 1269 C ILE A 85 11.579 26.553 -7.746 1.00 0.78 C ATOM 1270 O ILE A 85 11.905 27.718 -7.834 1.00 0.75 O ATOM 1271 CB ILE A 85 12.708 24.826 -9.198 1.00 0.58 C ATOM 1272 CG1 ILE A 85 14.051 24.094 -9.369 1.00 0.50 C ATOM 1273 CG2 ILE A 85 12.609 25.947 -10.244 1.00 0.50 C ATOM 1274 CD1 ILE A 85 14.093 23.415 -10.740 1.00 0.36 C ATOM 0 H ILE A 85 11.979 23.473 -7.207 1.00 0.77 H new ATOM 0 HA ILE A 85 13.599 25.832 -7.511 1.00 0.71 H new ATOM 0 HB ILE A 85 11.887 24.123 -9.337 1.00 0.58 H new ATOM 0 HG12 ILE A 85 14.876 24.800 -9.276 1.00 0.50 H new ATOM 0 HG13 ILE A 85 14.176 23.352 -8.580 1.00 0.50 H new ATOM 0 HG21 ILE A 85 12.670 25.518 -11.244 1.00 0.50 H new ATOM 0 HG22 ILE A 85 11.658 26.468 -10.130 1.00 0.50 H new ATOM 0 HG23 ILE A 85 13.428 26.652 -10.101 1.00 0.50 H new ATOM 0 HD11 ILE A 85 15.044 22.897 -10.860 1.00 0.36 H new ATOM 0 HD12 ILE A 85 13.277 22.697 -10.816 1.00 0.36 H new ATOM 0 HD13 ILE A 85 13.988 24.167 -11.522 1.00 0.36 H new ATOM 1286 N ARG A 86 10.327 26.211 -7.643 1.00 0.87 N ATOM 1287 CA ARG A 86 9.266 27.254 -7.635 1.00 0.94 C ATOM 1288 C ARG A 86 9.370 28.107 -6.364 1.00 0.99 C ATOM 1289 O ARG A 86 9.181 29.306 -6.402 1.00 0.93 O ATOM 1290 CB ARG A 86 7.899 26.559 -7.696 1.00 1.04 C ATOM 1291 CG ARG A 86 6.780 27.579 -7.981 1.00 0.81 C ATOM 1292 CD ARG A 86 6.406 28.391 -6.711 1.00 2.94 C ATOM 1293 NE ARG A 86 4.917 28.402 -6.522 1.00 3.34 N ATOM 1294 CZ ARG A 86 4.103 28.658 -7.515 1.00 3.39 C ATOM 1295 NH1 ARG A 86 4.573 28.996 -8.684 1.00 3.21 N ATOM 1296 NH2 ARG A 86 2.813 28.598 -7.326 1.00 4.07 N ATOM 0 H ARG A 86 9.991 25.251 -7.564 1.00 0.87 H new ATOM 0 HA ARG A 86 9.387 27.911 -8.496 1.00 0.94 H new ATOM 0 HB2 ARG A 86 7.908 25.796 -8.474 1.00 1.04 H new ATOM 0 HB3 ARG A 86 7.702 26.050 -6.752 1.00 1.04 H new ATOM 0 HG2 ARG A 86 7.101 28.261 -8.768 1.00 0.81 H new ATOM 0 HG3 ARG A 86 5.898 27.057 -8.352 1.00 0.81 H new ATOM 0 HD2 ARG A 86 6.888 27.954 -5.836 1.00 2.94 H new ATOM 0 HD3 ARG A 86 6.776 29.412 -6.802 1.00 2.94 H new ATOM 0 HE ARG A 86 4.530 28.206 -5.599 1.00 3.34 H new ATOM 0 HH11 ARG A 86 5.580 29.062 -8.829 1.00 3.21 H new ATOM 0 HH12 ARG A 86 3.933 29.194 -9.453 1.00 3.21 H new ATOM 0 HH21 ARG A 86 2.443 28.353 -6.408 1.00 4.07 H new ATOM 0 HH22 ARG A 86 2.175 28.797 -8.097 1.00 4.07 H new ATOM 1310 N GLU A 87 9.657 27.510 -5.233 1.00 1.11 N ATOM 1311 CA GLU A 87 9.750 28.322 -3.982 1.00 1.16 C ATOM 1312 C GLU A 87 10.921 29.303 -4.094 1.00 1.03 C ATOM 1313 O GLU A 87 10.902 30.361 -3.497 1.00 0.98 O ATOM 1314 CB GLU A 87 9.921 27.411 -2.748 1.00 1.31 C ATOM 1315 CG GLU A 87 8.549 26.930 -2.264 1.00 1.32 C ATOM 1316 CD GLU A 87 7.806 28.093 -1.602 1.00 1.53 C ATOM 1317 OE1 GLU A 87 8.468 28.935 -1.018 1.00 2.89 O ATOM 1318 OE2 GLU A 87 6.591 28.121 -1.692 1.00 1.45 O ATOM 0 H GLU A 87 9.828 26.511 -5.123 1.00 1.11 H new ATOM 0 HA GLU A 87 8.824 28.884 -3.856 1.00 1.16 H new ATOM 0 HB2 GLU A 87 10.548 26.556 -3.000 1.00 1.31 H new ATOM 0 HB3 GLU A 87 10.428 27.954 -1.951 1.00 1.31 H new ATOM 0 HG2 GLU A 87 7.970 26.545 -3.103 1.00 1.32 H new ATOM 0 HG3 GLU A 87 8.668 26.110 -1.556 1.00 1.32 H new ATOM 1325 N ALA A 88 11.921 28.997 -4.877 1.00 0.98 N ATOM 1326 CA ALA A 88 13.038 29.966 -5.026 1.00 0.86 C ATOM 1327 C ALA A 88 12.571 31.021 -6.000 1.00 0.73 C ATOM 1328 O ALA A 88 12.790 32.197 -5.817 1.00 0.69 O ATOM 1329 CB ALA A 88 14.279 29.279 -5.582 1.00 0.86 C ATOM 0 H ALA A 88 12.010 28.132 -5.411 1.00 0.98 H new ATOM 0 HA ALA A 88 13.300 30.396 -4.059 1.00 0.86 H new ATOM 0 HB1 ALA A 88 15.084 30.007 -5.683 1.00 0.86 H new ATOM 0 HB2 ALA A 88 14.591 28.485 -4.903 1.00 0.86 H new ATOM 0 HB3 ALA A 88 14.052 28.852 -6.559 1.00 0.86 H new ATOM 1335 N PHE A 89 11.894 30.613 -7.027 1.00 0.70 N ATOM 1336 CA PHE A 89 11.393 31.609 -7.985 1.00 0.62 C ATOM 1337 C PHE A 89 10.387 32.492 -7.237 1.00 0.67 C ATOM 1338 O PHE A 89 10.225 33.658 -7.540 1.00 0.64 O ATOM 1339 CB PHE A 89 10.729 30.919 -9.183 1.00 0.68 C ATOM 1340 CG PHE A 89 11.755 30.637 -10.284 1.00 0.52 C ATOM 1341 CD1 PHE A 89 12.338 31.692 -11.009 1.00 0.35 C ATOM 1342 CD2 PHE A 89 12.132 29.317 -10.574 1.00 0.57 C ATOM 1343 CE1 PHE A 89 13.266 31.429 -12.006 1.00 0.23 C ATOM 1344 CE2 PHE A 89 13.085 29.056 -11.590 1.00 0.43 C ATOM 1345 CZ PHE A 89 13.640 30.133 -12.302 1.00 0.24 C ATOM 0 H PHE A 89 11.670 29.641 -7.239 1.00 0.70 H new ATOM 0 HA PHE A 89 12.212 32.213 -8.377 1.00 0.62 H new ATOM 0 HB2 PHE A 89 10.268 29.985 -8.861 1.00 0.68 H new ATOM 0 HB3 PHE A 89 9.931 31.550 -9.576 1.00 0.68 H new ATOM 0 HD1 PHE A 89 12.062 32.712 -10.788 1.00 0.35 H new ATOM 0 HD2 PHE A 89 11.695 28.498 -10.022 1.00 0.57 H new ATOM 0 HE1 PHE A 89 13.702 32.249 -12.558 1.00 0.23 H new ATOM 0 HE2 PHE A 89 13.381 28.042 -11.814 1.00 0.43 H new ATOM 0 HZ PHE A 89 14.362 29.946 -13.084 1.00 0.24 H new ATOM 1355 N ARG A 90 9.730 31.949 -6.236 1.00 0.76 N ATOM 1356 CA ARG A 90 8.767 32.773 -5.456 1.00 0.80 C ATOM 1357 C ARG A 90 9.537 33.952 -4.870 1.00 0.59 C ATOM 1358 O ARG A 90 9.153 35.095 -5.011 1.00 0.43 O ATOM 1359 CB ARG A 90 8.158 31.937 -4.325 1.00 1.08 C ATOM 1360 CG ARG A 90 6.963 32.689 -3.722 1.00 1.31 C ATOM 1361 CD ARG A 90 6.436 31.948 -2.474 1.00 1.70 C ATOM 1362 NE ARG A 90 4.940 32.002 -2.449 1.00 1.52 N ATOM 1363 CZ ARG A 90 4.297 33.121 -2.657 1.00 1.48 C ATOM 1364 NH1 ARG A 90 4.941 34.253 -2.729 1.00 2.05 N ATOM 1365 NH2 ARG A 90 2.994 33.115 -2.742 1.00 1.38 N ATOM 0 H ARG A 90 9.822 30.979 -5.933 1.00 0.76 H new ATOM 0 HA ARG A 90 7.958 33.123 -6.097 1.00 0.80 H new ATOM 0 HB2 ARG A 90 7.837 30.968 -4.707 1.00 1.08 H new ATOM 0 HB3 ARG A 90 8.906 31.745 -3.556 1.00 1.08 H new ATOM 0 HG2 ARG A 90 7.261 33.702 -3.453 1.00 1.31 H new ATOM 0 HG3 ARG A 90 6.169 32.777 -4.463 1.00 1.31 H new ATOM 0 HD2 ARG A 90 6.772 30.911 -2.486 1.00 1.70 H new ATOM 0 HD3 ARG A 90 6.841 32.404 -1.571 1.00 1.70 H new ATOM 0 HE ARG A 90 4.412 31.149 -2.266 1.00 1.52 H new ATOM 0 HH11 ARG A 90 5.955 34.270 -2.623 1.00 2.05 H new ATOM 0 HH12 ARG A 90 4.430 35.121 -2.892 1.00 2.05 H new ATOM 0 HH21 ARG A 90 2.481 32.239 -2.646 1.00 1.38 H new ATOM 0 HH22 ARG A 90 2.489 33.987 -2.904 1.00 1.38 H new ATOM 1379 N VAL A 91 10.646 33.674 -4.242 1.00 0.62 N ATOM 1380 CA VAL A 91 11.483 34.774 -3.674 1.00 0.55 C ATOM 1381 C VAL A 91 11.736 35.782 -4.795 1.00 0.31 C ATOM 1382 O VAL A 91 12.032 36.938 -4.563 1.00 0.35 O ATOM 1383 CB VAL A 91 12.839 34.187 -3.195 1.00 0.74 C ATOM 1384 CG1 VAL A 91 13.959 35.242 -3.277 1.00 0.76 C ATOM 1385 CG2 VAL A 91 12.712 33.700 -1.741 1.00 0.99 C ATOM 0 H VAL A 91 11.011 32.733 -4.096 1.00 0.62 H new ATOM 0 HA VAL A 91 10.982 35.250 -2.831 1.00 0.55 H new ATOM 0 HB VAL A 91 13.095 33.352 -3.848 1.00 0.74 H new ATOM 0 HG11 VAL A 91 14.897 34.804 -2.936 1.00 0.76 H new ATOM 0 HG12 VAL A 91 14.069 35.577 -4.309 1.00 0.76 H new ATOM 0 HG13 VAL A 91 13.705 36.093 -2.645 1.00 0.76 H new ATOM 0 HG21 VAL A 91 13.666 33.289 -1.410 1.00 0.99 H new ATOM 0 HG22 VAL A 91 12.435 34.537 -1.100 1.00 0.99 H new ATOM 0 HG23 VAL A 91 11.945 32.928 -1.681 1.00 0.99 H new ATOM 1395 N PHE A 92 11.681 35.315 -6.007 1.00 0.27 N ATOM 1396 CA PHE A 92 11.976 36.179 -7.176 1.00 0.21 C ATOM 1397 C PHE A 92 10.698 36.682 -7.843 1.00 0.46 C ATOM 1398 O PHE A 92 10.729 37.547 -8.686 1.00 0.69 O ATOM 1399 CB PHE A 92 12.822 35.322 -8.126 1.00 0.24 C ATOM 1400 CG PHE A 92 14.268 35.497 -7.754 1.00 0.19 C ATOM 1401 CD1 PHE A 92 14.936 36.566 -8.314 1.00 0.27 C ATOM 1402 CD2 PHE A 92 14.906 34.661 -6.805 1.00 0.38 C ATOM 1403 CE1 PHE A 92 16.263 36.829 -7.958 1.00 0.47 C ATOM 1404 CE2 PHE A 92 16.227 34.934 -6.436 1.00 0.57 C ATOM 1405 CZ PHE A 92 16.905 36.018 -7.015 1.00 0.60 C ATOM 0 H PHE A 92 11.439 34.352 -6.240 1.00 0.27 H new ATOM 0 HA PHE A 92 12.513 37.080 -6.879 1.00 0.21 H new ATOM 0 HB2 PHE A 92 12.534 34.273 -8.050 1.00 0.24 H new ATOM 0 HB3 PHE A 92 12.656 35.624 -9.160 1.00 0.24 H new ATOM 0 HD1 PHE A 92 14.434 37.201 -9.029 1.00 0.27 H new ATOM 0 HD2 PHE A 92 14.379 33.824 -6.372 1.00 0.38 H new ATOM 0 HE1 PHE A 92 16.791 37.656 -8.410 1.00 0.47 H new ATOM 0 HE2 PHE A 92 16.725 34.312 -5.707 1.00 0.57 H new ATOM 0 HZ PHE A 92 17.926 36.227 -6.732 1.00 0.60 H new ATOM 1415 N ASP A 93 9.587 36.192 -7.420 1.00 0.51 N ATOM 1416 CA ASP A 93 8.280 36.652 -7.983 1.00 0.78 C ATOM 1417 C ASP A 93 7.808 37.850 -7.152 1.00 0.53 C ATOM 1418 O ASP A 93 6.798 37.802 -6.476 1.00 0.41 O ATOM 1419 CB ASP A 93 7.249 35.524 -7.882 1.00 1.07 C ATOM 1420 CG ASP A 93 5.883 36.037 -8.346 1.00 1.31 C ATOM 1421 OD1 ASP A 93 5.804 37.197 -8.719 1.00 0.53 O ATOM 1422 OD2 ASP A 93 4.941 35.263 -8.324 1.00 2.32 O ATOM 0 H ASP A 93 9.512 35.478 -6.695 1.00 0.51 H new ATOM 0 HA ASP A 93 8.394 36.931 -9.030 1.00 0.78 H new ATOM 0 HB2 ASP A 93 7.559 34.678 -8.495 1.00 1.07 H new ATOM 0 HB3 ASP A 93 7.185 35.166 -6.854 1.00 1.07 H new ATOM 1427 N LYS A 94 8.568 38.911 -7.181 1.00 0.66 N ATOM 1428 CA LYS A 94 8.231 40.131 -6.384 1.00 0.76 C ATOM 1429 C LYS A 94 6.953 40.796 -6.890 1.00 0.93 C ATOM 1430 O LYS A 94 6.339 41.582 -6.196 1.00 0.85 O ATOM 1431 CB LYS A 94 9.379 41.132 -6.495 1.00 1.09 C ATOM 1432 CG LYS A 94 10.646 40.531 -5.883 1.00 1.05 C ATOM 1433 CD LYS A 94 11.862 41.353 -6.319 1.00 1.93 C ATOM 1434 CE LYS A 94 13.132 40.732 -5.735 1.00 1.83 C ATOM 1435 NZ LYS A 94 14.268 41.680 -5.903 1.00 2.64 N ATOM 0 H LYS A 94 9.423 38.987 -7.732 1.00 0.66 H new ATOM 0 HA LYS A 94 8.076 39.827 -5.349 1.00 0.76 H new ATOM 0 HB2 LYS A 94 9.553 41.386 -7.541 1.00 1.09 H new ATOM 0 HB3 LYS A 94 9.119 42.057 -5.981 1.00 1.09 H new ATOM 0 HG2 LYS A 94 10.569 40.524 -4.796 1.00 1.05 H new ATOM 0 HG3 LYS A 94 10.761 39.495 -6.202 1.00 1.05 H new ATOM 0 HD2 LYS A 94 11.925 41.381 -7.407 1.00 1.93 H new ATOM 0 HD3 LYS A 94 11.759 42.384 -5.979 1.00 1.93 H new ATOM 0 HE2 LYS A 94 12.987 40.505 -4.679 1.00 1.83 H new ATOM 0 HE3 LYS A 94 13.353 39.790 -6.236 1.00 1.83 H new ATOM 0 HZ1 LYS A 94 15.133 41.260 -5.506 1.00 2.64 H new ATOM 0 HZ2 LYS A 94 14.410 41.875 -6.915 1.00 2.64 H new ATOM 0 HZ3 LYS A 94 14.055 42.568 -5.405 1.00 2.64 H new ATOM 1449 N ASP A 95 6.566 40.512 -8.093 1.00 1.24 N ATOM 1450 CA ASP A 95 5.337 41.159 -8.662 1.00 1.45 C ATOM 1451 C ASP A 95 4.142 40.210 -8.555 1.00 1.45 C ATOM 1452 O ASP A 95 3.055 40.528 -8.995 1.00 1.63 O ATOM 1453 CB ASP A 95 5.585 41.484 -10.136 1.00 1.92 C ATOM 1454 CG ASP A 95 4.406 42.284 -10.693 1.00 2.55 C ATOM 1455 OD1 ASP A 95 3.641 42.806 -9.900 1.00 2.47 O ATOM 1456 OD2 ASP A 95 4.287 42.359 -11.904 1.00 3.32 O ATOM 0 H ASP A 95 7.041 39.860 -8.717 1.00 1.24 H new ATOM 0 HA ASP A 95 5.120 42.070 -8.103 1.00 1.45 H new ATOM 0 HB2 ASP A 95 6.507 42.055 -10.242 1.00 1.92 H new ATOM 0 HB3 ASP A 95 5.713 40.563 -10.705 1.00 1.92 H new ATOM 1461 N GLY A 96 4.321 39.059 -7.960 1.00 1.35 N ATOM 1462 CA GLY A 96 3.189 38.101 -7.814 1.00 1.55 C ATOM 1463 C GLY A 96 2.402 38.019 -9.124 1.00 1.62 C ATOM 1464 O GLY A 96 1.263 37.595 -9.149 1.00 1.91 O ATOM 0 H GLY A 96 5.207 38.742 -7.568 1.00 1.35 H new ATOM 0 HA2 GLY A 96 3.568 37.115 -7.545 1.00 1.55 H new ATOM 0 HA3 GLY A 96 2.533 38.421 -7.005 1.00 1.55 H new ATOM 1468 N ASN A 97 2.994 38.443 -10.212 1.00 1.38 N ATOM 1469 CA ASN A 97 2.276 38.413 -11.524 1.00 1.44 C ATOM 1470 C ASN A 97 2.698 37.184 -12.343 1.00 1.33 C ATOM 1471 O ASN A 97 2.099 36.881 -13.356 1.00 1.39 O ATOM 1472 CB ASN A 97 2.619 39.683 -12.306 1.00 1.40 C ATOM 1473 CG ASN A 97 1.691 39.808 -13.517 1.00 1.58 C ATOM 1474 OD1 ASN A 97 0.795 39.006 -13.695 1.00 2.50 O ATOM 1475 ND2 ASN A 97 1.868 40.786 -14.362 1.00 1.14 N ATOM 0 H ASN A 97 3.945 38.809 -10.249 1.00 1.38 H new ATOM 0 HA ASN A 97 1.203 38.358 -11.341 1.00 1.44 H new ATOM 0 HB2 ASN A 97 2.514 40.557 -11.663 1.00 1.40 H new ATOM 0 HB3 ASN A 97 3.658 39.651 -12.633 1.00 1.40 H new ATOM 0 HD21 ASN A 97 1.255 40.878 -15.172 1.00 1.14 H new ATOM 0 HD22 ASN A 97 2.620 41.459 -14.213 1.00 1.14 H new ATOM 1482 N GLY A 98 3.705 36.459 -11.917 1.00 1.22 N ATOM 1483 CA GLY A 98 4.130 35.245 -12.677 1.00 1.15 C ATOM 1484 C GLY A 98 5.215 35.600 -13.695 1.00 0.94 C ATOM 1485 O GLY A 98 5.563 34.803 -14.540 1.00 0.96 O ATOM 0 H GLY A 98 4.249 36.657 -11.077 1.00 1.22 H new ATOM 0 HA2 GLY A 98 4.505 34.490 -11.986 1.00 1.15 H new ATOM 0 HA3 GLY A 98 3.271 34.811 -13.189 1.00 1.15 H new ATOM 1489 N TYR A 99 5.742 36.792 -13.623 1.00 0.80 N ATOM 1490 CA TYR A 99 6.811 37.216 -14.593 1.00 0.59 C ATOM 1491 C TYR A 99 7.979 37.868 -13.846 1.00 0.58 C ATOM 1492 O TYR A 99 7.789 38.641 -12.930 1.00 0.65 O ATOM 1493 CB TYR A 99 6.233 38.246 -15.569 1.00 0.45 C ATOM 1494 CG TYR A 99 5.224 37.590 -16.485 1.00 0.45 C ATOM 1495 CD1 TYR A 99 3.977 37.204 -15.984 1.00 1.55 C ATOM 1496 CD2 TYR A 99 5.529 37.381 -17.836 1.00 1.83 C ATOM 1497 CE1 TYR A 99 3.034 36.609 -16.828 1.00 1.46 C ATOM 1498 CE2 TYR A 99 4.587 36.785 -18.684 1.00 1.93 C ATOM 1499 CZ TYR A 99 3.339 36.400 -18.180 1.00 0.56 C ATOM 1500 OH TYR A 99 2.409 35.812 -19.014 1.00 0.64 O ATOM 0 H TYR A 99 5.482 37.498 -12.934 1.00 0.80 H new ATOM 0 HA TYR A 99 7.163 36.334 -15.128 1.00 0.59 H new ATOM 0 HB2 TYR A 99 5.759 39.056 -15.015 1.00 0.45 H new ATOM 0 HB3 TYR A 99 7.036 38.689 -16.158 1.00 0.45 H new ATOM 0 HD1 TYR A 99 3.741 37.366 -14.942 1.00 1.55 H new ATOM 0 HD2 TYR A 99 6.492 37.680 -18.224 1.00 1.83 H new ATOM 0 HE1 TYR A 99 2.072 36.311 -16.439 1.00 1.46 H new ATOM 0 HE2 TYR A 99 4.823 36.623 -19.725 1.00 1.93 H new ATOM 0 HH TYR A 99 2.779 35.742 -19.919 1.00 0.64 H new ATOM 1510 N ILE A 100 9.193 37.586 -14.262 1.00 0.49 N ATOM 1511 CA ILE A 100 10.389 38.217 -13.616 1.00 0.50 C ATOM 1512 C ILE A 100 11.413 38.572 -14.704 1.00 0.38 C ATOM 1513 O ILE A 100 11.226 38.256 -15.862 1.00 0.25 O ATOM 1514 CB ILE A 100 11.031 37.271 -12.596 1.00 0.57 C ATOM 1515 CG1 ILE A 100 11.183 35.866 -13.182 1.00 0.66 C ATOM 1516 CG2 ILE A 100 10.193 37.204 -11.323 1.00 0.51 C ATOM 1517 CD1 ILE A 100 11.950 34.975 -12.193 1.00 0.51 C ATOM 0 H ILE A 100 9.407 36.943 -15.024 1.00 0.49 H new ATOM 0 HA ILE A 100 10.069 39.116 -13.089 1.00 0.50 H new ATOM 0 HB ILE A 100 12.019 37.663 -12.352 1.00 0.57 H new ATOM 0 HG12 ILE A 100 10.202 35.438 -13.387 1.00 0.66 H new ATOM 0 HG13 ILE A 100 11.715 35.913 -14.132 1.00 0.66 H new ATOM 0 HG21 ILE A 100 10.666 36.527 -10.611 1.00 0.51 H new ATOM 0 HG22 ILE A 100 10.119 38.199 -10.883 1.00 0.51 H new ATOM 0 HG23 ILE A 100 9.195 36.838 -11.563 1.00 0.51 H new ATOM 0 HD11 ILE A 100 12.057 33.975 -12.612 1.00 0.51 H new ATOM 0 HD12 ILE A 100 12.937 35.400 -12.011 1.00 0.51 H new ATOM 0 HD13 ILE A 100 11.401 34.918 -11.253 1.00 0.51 H new ATOM 1529 N SER A 101 12.495 39.230 -14.351 1.00 0.49 N ATOM 1530 CA SER A 101 13.511 39.600 -15.385 1.00 0.43 C ATOM 1531 C SER A 101 14.424 38.410 -15.700 1.00 0.35 C ATOM 1532 O SER A 101 14.819 37.660 -14.832 1.00 0.45 O ATOM 1533 CB SER A 101 14.336 40.783 -14.888 1.00 0.59 C ATOM 1534 OG SER A 101 15.031 40.411 -13.703 1.00 0.72 O ATOM 0 H SER A 101 12.715 39.524 -13.399 1.00 0.49 H new ATOM 0 HA SER A 101 12.994 39.881 -16.302 1.00 0.43 H new ATOM 0 HB2 SER A 101 15.045 41.094 -15.656 1.00 0.59 H new ATOM 0 HB3 SER A 101 13.686 41.635 -14.689 1.00 0.59 H new ATOM 0 HG SER A 101 14.441 40.524 -12.929 1.00 0.72 H new ATOM 1540 N ALA A 102 14.762 38.241 -16.947 1.00 0.21 N ATOM 1541 CA ALA A 102 15.650 37.110 -17.344 1.00 0.12 C ATOM 1542 C ALA A 102 16.844 37.005 -16.398 1.00 0.17 C ATOM 1543 O ALA A 102 17.289 35.928 -16.068 1.00 0.21 O ATOM 1544 CB ALA A 102 16.161 37.360 -18.757 1.00 0.12 C ATOM 0 H ALA A 102 14.460 38.841 -17.715 1.00 0.21 H new ATOM 0 HA ALA A 102 15.082 36.181 -17.298 1.00 0.12 H new ATOM 0 HB1 ALA A 102 16.812 36.539 -19.059 1.00 0.12 H new ATOM 0 HB2 ALA A 102 15.317 37.425 -19.443 1.00 0.12 H new ATOM 0 HB3 ALA A 102 16.721 38.295 -18.781 1.00 0.12 H new ATOM 1550 N ALA A 103 17.376 38.112 -15.969 1.00 0.19 N ATOM 1551 CA ALA A 103 18.553 38.061 -15.057 1.00 0.24 C ATOM 1552 C ALA A 103 18.121 37.496 -13.713 1.00 0.15 C ATOM 1553 O ALA A 103 18.571 36.454 -13.291 1.00 0.22 O ATOM 1554 CB ALA A 103 19.120 39.468 -14.868 1.00 0.31 C ATOM 0 H ALA A 103 17.050 39.048 -16.208 1.00 0.19 H new ATOM 0 HA ALA A 103 19.323 37.423 -15.490 1.00 0.24 H new ATOM 0 HB1 ALA A 103 19.981 39.427 -14.200 1.00 0.31 H new ATOM 0 HB2 ALA A 103 19.429 39.869 -15.834 1.00 0.31 H new ATOM 0 HB3 ALA A 103 18.356 40.113 -14.435 1.00 0.31 H new ATOM 1560 N GLU A 104 17.244 38.174 -13.047 1.00 0.15 N ATOM 1561 CA GLU A 104 16.756 37.684 -11.731 1.00 0.21 C ATOM 1562 C GLU A 104 16.222 36.246 -11.910 1.00 0.23 C ATOM 1563 O GLU A 104 16.153 35.484 -10.969 1.00 0.35 O ATOM 1564 CB GLU A 104 15.707 38.692 -11.205 1.00 0.49 C ATOM 1565 CG GLU A 104 14.294 38.344 -11.638 1.00 1.54 C ATOM 1566 CD GLU A 104 13.336 39.381 -11.041 1.00 1.22 C ATOM 1567 OE1 GLU A 104 13.107 40.388 -11.690 1.00 0.49 O ATOM 1568 OE2 GLU A 104 12.850 39.146 -9.948 1.00 1.80 O ATOM 0 H GLU A 104 16.837 39.056 -13.357 1.00 0.15 H new ATOM 0 HA GLU A 104 17.545 37.627 -10.981 1.00 0.21 H new ATOM 0 HB2 GLU A 104 15.752 38.723 -10.116 1.00 0.49 H new ATOM 0 HB3 GLU A 104 15.957 39.691 -11.563 1.00 0.49 H new ATOM 0 HG2 GLU A 104 14.220 38.341 -12.726 1.00 1.54 H new ATOM 0 HG3 GLU A 104 14.029 37.343 -11.298 1.00 1.54 H new ATOM 1575 N LEU A 105 15.897 35.854 -13.126 1.00 0.20 N ATOM 1576 CA LEU A 105 15.433 34.445 -13.376 1.00 0.27 C ATOM 1577 C LEU A 105 16.672 33.549 -13.441 1.00 0.24 C ATOM 1578 O LEU A 105 16.806 32.598 -12.700 1.00 0.32 O ATOM 1579 CB LEU A 105 14.674 34.384 -14.716 1.00 0.35 C ATOM 1580 CG LEU A 105 14.481 32.898 -15.199 1.00 0.20 C ATOM 1581 CD1 LEU A 105 13.013 32.555 -15.501 1.00 0.04 C ATOM 1582 CD2 LEU A 105 15.292 32.646 -16.470 1.00 0.34 C ATOM 0 H LEU A 105 15.933 36.448 -13.954 1.00 0.20 H new ATOM 0 HA LEU A 105 14.766 34.113 -12.581 1.00 0.27 H new ATOM 0 HB2 LEU A 105 13.701 34.862 -14.607 1.00 0.35 H new ATOM 0 HB3 LEU A 105 15.222 34.946 -15.472 1.00 0.35 H new ATOM 0 HG LEU A 105 14.824 32.266 -14.380 1.00 0.20 H new ATOM 0 HD11 LEU A 105 12.942 31.518 -15.830 1.00 0.04 H new ATOM 0 HD12 LEU A 105 12.415 32.692 -14.600 1.00 0.04 H new ATOM 0 HD13 LEU A 105 12.640 33.211 -16.288 1.00 0.04 H new ATOM 0 HD21 LEU A 105 15.150 31.615 -16.794 1.00 0.34 H new ATOM 0 HD22 LEU A 105 14.956 33.323 -17.256 1.00 0.34 H new ATOM 0 HD23 LEU A 105 16.349 32.821 -16.268 1.00 0.34 H new ATOM 1594 N ARG A 106 17.590 33.859 -14.313 1.00 0.28 N ATOM 1595 CA ARG A 106 18.830 33.049 -14.416 1.00 0.37 C ATOM 1596 C ARG A 106 19.456 33.030 -13.024 1.00 0.29 C ATOM 1597 O ARG A 106 20.084 32.079 -12.605 1.00 0.29 O ATOM 1598 CB ARG A 106 19.747 33.720 -15.470 1.00 0.50 C ATOM 1599 CG ARG A 106 21.121 34.087 -14.897 1.00 1.42 C ATOM 1600 CD ARG A 106 21.996 34.673 -16.009 1.00 1.28 C ATOM 1601 NE ARG A 106 22.351 33.602 -16.982 1.00 1.23 N ATOM 1602 CZ ARG A 106 22.807 33.919 -18.162 1.00 1.09 C ATOM 1603 NH1 ARG A 106 22.941 35.175 -18.492 1.00 1.30 N ATOM 1604 NH2 ARG A 106 23.123 32.982 -19.014 1.00 2.10 N ATOM 0 H ARG A 106 17.532 34.644 -14.962 1.00 0.28 H new ATOM 0 HA ARG A 106 18.653 32.022 -14.736 1.00 0.37 H new ATOM 0 HB2 ARG A 106 19.877 33.046 -16.317 1.00 0.50 H new ATOM 0 HB3 ARG A 106 19.262 34.619 -15.850 1.00 0.50 H new ATOM 0 HG2 ARG A 106 21.009 34.809 -14.089 1.00 1.42 H new ATOM 0 HG3 ARG A 106 21.598 33.204 -14.471 1.00 1.42 H new ATOM 0 HD2 ARG A 106 21.465 35.478 -16.517 1.00 1.28 H new ATOM 0 HD3 ARG A 106 22.901 35.106 -15.583 1.00 1.28 H new ATOM 0 HE ARG A 106 22.237 32.621 -16.725 1.00 1.23 H new ATOM 0 HH11 ARG A 106 22.689 35.907 -17.827 1.00 1.30 H new ATOM 0 HH12 ARG A 106 23.298 35.425 -19.414 1.00 1.30 H new ATOM 0 HH21 ARG A 106 23.013 32.001 -18.757 1.00 2.10 H new ATOM 0 HH22 ARG A 106 23.480 33.231 -19.937 1.00 2.10 H new ATOM 1618 N HIS A 107 19.258 34.099 -12.317 1.00 0.24 N ATOM 1619 CA HIS A 107 19.793 34.222 -10.943 1.00 0.20 C ATOM 1620 C HIS A 107 19.124 33.172 -10.048 1.00 0.16 C ATOM 1621 O HIS A 107 19.764 32.531 -9.239 1.00 0.18 O ATOM 1622 CB HIS A 107 19.479 35.635 -10.434 1.00 0.24 C ATOM 1623 CG HIS A 107 20.345 35.940 -9.255 1.00 0.22 C ATOM 1624 ND1 HIS A 107 21.467 36.748 -9.334 1.00 0.65 N ATOM 1625 CD2 HIS A 107 20.262 35.535 -7.962 1.00 0.56 C ATOM 1626 CE1 HIS A 107 22.012 36.799 -8.105 1.00 0.52 C ATOM 1627 NE2 HIS A 107 21.313 36.074 -7.226 1.00 0.29 N ATOM 0 H HIS A 107 18.735 34.912 -12.643 1.00 0.24 H new ATOM 0 HA HIS A 107 20.870 34.058 -10.929 1.00 0.20 H new ATOM 0 HB2 HIS A 107 19.651 36.365 -11.225 1.00 0.24 H new ATOM 0 HB3 HIS A 107 18.428 35.708 -10.156 1.00 0.24 H new ATOM 0 HD2 HIS A 107 19.493 34.890 -7.563 1.00 0.56 H new ATOM 0 HE1 HIS A 107 22.904 37.357 -7.859 1.00 0.52 H new ATOM 0 HE2 HIS A 107 21.507 35.944 -6.233 1.00 0.29 H new ATOM 1635 N VAL A 108 17.841 32.979 -10.205 1.00 0.20 N ATOM 1636 CA VAL A 108 17.127 31.957 -9.382 1.00 0.23 C ATOM 1637 C VAL A 108 17.783 30.600 -9.619 1.00 0.24 C ATOM 1638 O VAL A 108 17.896 29.781 -8.732 1.00 0.27 O ATOM 1639 CB VAL A 108 15.652 31.860 -9.821 1.00 0.27 C ATOM 1640 CG1 VAL A 108 14.987 30.641 -9.129 1.00 0.34 C ATOM 1641 CG2 VAL A 108 14.915 33.159 -9.440 1.00 0.32 C ATOM 0 H VAL A 108 17.255 33.486 -10.869 1.00 0.20 H new ATOM 0 HA VAL A 108 17.179 32.241 -8.331 1.00 0.23 H new ATOM 0 HB VAL A 108 15.597 31.727 -10.902 1.00 0.27 H new ATOM 0 HG11 VAL A 108 13.944 30.571 -9.438 1.00 0.34 H new ATOM 0 HG12 VAL A 108 15.512 29.729 -9.414 1.00 0.34 H new ATOM 0 HG13 VAL A 108 15.037 30.765 -8.047 1.00 0.34 H new ATOM 0 HG21 VAL A 108 13.872 33.090 -9.750 1.00 0.32 H new ATOM 0 HG22 VAL A 108 14.964 33.302 -8.360 1.00 0.32 H new ATOM 0 HG23 VAL A 108 15.387 34.005 -9.939 1.00 0.32 H new ATOM 1651 N MET A 109 18.183 30.350 -10.838 1.00 0.22 N ATOM 1652 CA MET A 109 18.793 29.037 -11.168 1.00 0.22 C ATOM 1653 C MET A 109 20.227 28.948 -10.609 1.00 0.21 C ATOM 1654 O MET A 109 20.703 27.877 -10.291 1.00 0.25 O ATOM 1655 CB MET A 109 18.811 28.848 -12.697 1.00 0.22 C ATOM 1656 CG MET A 109 17.409 29.091 -13.285 1.00 0.19 C ATOM 1657 SD MET A 109 17.559 29.487 -15.044 1.00 0.19 S ATOM 1658 CE MET A 109 17.632 27.786 -15.654 1.00 0.30 C ATOM 0 H MET A 109 18.112 31.003 -11.618 1.00 0.22 H new ATOM 0 HA MET A 109 18.197 28.247 -10.711 1.00 0.22 H new ATOM 0 HB2 MET A 109 19.525 29.538 -13.147 1.00 0.22 H new ATOM 0 HB3 MET A 109 19.145 27.840 -12.941 1.00 0.22 H new ATOM 0 HG2 MET A 109 16.788 28.206 -13.151 1.00 0.19 H new ATOM 0 HG3 MET A 109 16.917 29.908 -12.757 1.00 0.19 H new ATOM 0 HE1 MET A 109 17.921 27.788 -16.705 1.00 0.30 H new ATOM 0 HE2 MET A 109 18.366 27.224 -15.077 1.00 0.30 H new ATOM 0 HE3 MET A 109 16.653 27.319 -15.548 1.00 0.30 H new ATOM 1668 N THR A 110 20.936 30.053 -10.505 1.00 0.19 N ATOM 1669 CA THR A 110 22.333 30.010 -9.995 1.00 0.23 C ATOM 1670 C THR A 110 22.358 30.063 -8.457 1.00 0.30 C ATOM 1671 O THR A 110 23.102 29.342 -7.822 1.00 0.37 O ATOM 1672 CB THR A 110 23.083 31.220 -10.599 1.00 0.27 C ATOM 1673 OG1 THR A 110 22.211 31.903 -11.489 1.00 0.29 O ATOM 1674 CG2 THR A 110 24.315 30.754 -11.377 1.00 0.28 C ATOM 0 H THR A 110 20.598 30.982 -10.755 1.00 0.19 H new ATOM 0 HA THR A 110 22.816 29.078 -10.288 1.00 0.23 H new ATOM 0 HB THR A 110 23.402 31.878 -9.791 1.00 0.27 H new ATOM 0 HG1 THR A 110 22.677 32.673 -11.877 1.00 0.29 H new ATOM 0 HG21 THR A 110 24.830 31.619 -11.795 1.00 0.28 H new ATOM 0 HG22 THR A 110 24.988 30.220 -10.706 1.00 0.28 H new ATOM 0 HG23 THR A 110 24.006 30.091 -12.185 1.00 0.28 H new ATOM 1682 N ASN A 111 21.576 30.918 -7.853 1.00 0.30 N ATOM 1683 CA ASN A 111 21.598 31.012 -6.367 1.00 0.39 C ATOM 1684 C ASN A 111 21.086 29.712 -5.757 1.00 0.38 C ATOM 1685 O ASN A 111 21.405 29.367 -4.637 1.00 0.39 O ATOM 1686 CB ASN A 111 20.715 32.175 -5.911 1.00 0.45 C ATOM 1687 CG ASN A 111 20.993 32.480 -4.436 1.00 0.62 C ATOM 1688 OD1 ASN A 111 20.471 31.818 -3.561 1.00 0.99 O ATOM 1689 ND2 ASN A 111 21.797 33.459 -4.125 1.00 1.10 N ATOM 0 H ASN A 111 20.928 31.551 -8.322 1.00 0.30 H new ATOM 0 HA ASN A 111 22.622 31.184 -6.036 1.00 0.39 H new ATOM 0 HB2 ASN A 111 20.914 33.057 -6.520 1.00 0.45 H new ATOM 0 HB3 ASN A 111 19.664 31.923 -6.049 1.00 0.45 H new ATOM 0 HD21 ASN A 111 21.989 33.670 -3.146 1.00 1.10 H new ATOM 0 HD22 ASN A 111 22.234 34.013 -4.861 1.00 1.10 H new ATOM 1696 N LEU A 112 20.289 28.995 -6.485 1.00 0.39 N ATOM 1697 CA LEU A 112 19.742 27.714 -5.951 1.00 0.41 C ATOM 1698 C LEU A 112 20.882 26.757 -5.616 1.00 0.46 C ATOM 1699 O LEU A 112 20.775 25.913 -4.750 1.00 0.52 O ATOM 1700 CB LEU A 112 18.796 27.084 -6.992 1.00 0.42 C ATOM 1701 CG LEU A 112 17.359 27.583 -6.762 1.00 0.40 C ATOM 1702 CD1 LEU A 112 16.470 27.139 -7.927 1.00 0.41 C ATOM 1703 CD2 LEU A 112 16.801 27.033 -5.425 1.00 0.45 C ATOM 0 H LEU A 112 19.988 29.236 -7.429 1.00 0.39 H new ATOM 0 HA LEU A 112 19.181 27.913 -5.038 1.00 0.41 H new ATOM 0 HB2 LEU A 112 19.124 27.344 -7.999 1.00 0.42 H new ATOM 0 HB3 LEU A 112 18.830 25.997 -6.916 1.00 0.42 H new ATOM 0 HG LEU A 112 17.366 28.672 -6.709 1.00 0.40 H new ATOM 0 HD11 LEU A 112 15.452 27.493 -7.763 1.00 0.41 H new ATOM 0 HD12 LEU A 112 16.854 27.557 -8.858 1.00 0.41 H new ATOM 0 HD13 LEU A 112 16.470 26.051 -7.991 1.00 0.41 H new ATOM 0 HD21 LEU A 112 15.784 27.396 -5.279 1.00 0.45 H new ATOM 0 HD22 LEU A 112 16.797 25.943 -5.453 1.00 0.45 H new ATOM 0 HD23 LEU A 112 17.429 27.372 -4.601 1.00 0.45 H new ATOM 1715 N GLY A 113 21.964 26.896 -6.296 1.00 0.46 N ATOM 1716 CA GLY A 113 23.147 26.015 -6.044 1.00 0.52 C ATOM 1717 C GLY A 113 23.086 24.792 -6.958 1.00 0.46 C ATOM 1718 O GLY A 113 23.609 23.742 -6.643 1.00 0.47 O ATOM 0 H GLY A 113 22.096 27.590 -7.032 1.00 0.46 H new ATOM 0 HA2 GLY A 113 24.069 26.568 -6.223 1.00 0.52 H new ATOM 0 HA3 GLY A 113 23.162 25.700 -5.001 1.00 0.52 H new ATOM 1722 N GLU A 114 22.463 24.922 -8.094 1.00 0.44 N ATOM 1723 CA GLU A 114 22.375 23.779 -9.035 1.00 0.45 C ATOM 1724 C GLU A 114 23.703 23.677 -9.805 1.00 0.56 C ATOM 1725 O GLU A 114 24.330 24.679 -10.092 1.00 0.64 O ATOM 1726 CB GLU A 114 21.207 24.029 -9.999 1.00 0.47 C ATOM 1727 CG GLU A 114 19.885 23.896 -9.237 1.00 0.31 C ATOM 1728 CD GLU A 114 18.744 24.493 -10.064 1.00 1.39 C ATOM 1729 OE1 GLU A 114 19.005 25.408 -10.826 1.00 2.68 O ATOM 1730 OE2 GLU A 114 17.627 24.024 -9.918 1.00 1.50 O ATOM 0 H GLU A 114 22.008 25.778 -8.411 1.00 0.44 H new ATOM 0 HA GLU A 114 22.201 22.844 -8.502 1.00 0.45 H new ATOM 0 HB2 GLU A 114 21.289 25.024 -10.438 1.00 0.47 H new ATOM 0 HB3 GLU A 114 21.240 23.314 -10.821 1.00 0.47 H new ATOM 0 HG2 GLU A 114 19.681 22.846 -9.025 1.00 0.31 H new ATOM 0 HG3 GLU A 114 19.956 24.407 -8.277 1.00 0.31 H new ATOM 1737 N LYS A 115 24.163 22.488 -10.129 1.00 0.64 N ATOM 1738 CA LYS A 115 25.463 22.367 -10.856 1.00 0.76 C ATOM 1739 C LYS A 115 25.261 22.650 -12.336 1.00 0.73 C ATOM 1740 O LYS A 115 25.861 22.036 -13.196 1.00 0.90 O ATOM 1741 CB LYS A 115 26.013 20.956 -10.675 1.00 0.94 C ATOM 1742 CG LYS A 115 26.659 20.810 -9.291 1.00 1.07 C ATOM 1743 CD LYS A 115 27.371 19.459 -9.201 1.00 1.46 C ATOM 1744 CE LYS A 115 27.955 19.283 -7.797 1.00 1.80 C ATOM 1745 NZ LYS A 115 28.975 20.339 -7.542 1.00 3.29 N ATOM 0 H LYS A 115 23.696 21.605 -9.922 1.00 0.64 H new ATOM 0 HA LYS A 115 26.170 23.091 -10.451 1.00 0.76 H new ATOM 0 HB2 LYS A 115 25.210 20.228 -10.788 1.00 0.94 H new ATOM 0 HB3 LYS A 115 26.748 20.742 -11.451 1.00 0.94 H new ATOM 0 HG2 LYS A 115 27.369 21.619 -9.122 1.00 1.07 H new ATOM 0 HG3 LYS A 115 25.899 20.885 -8.513 1.00 1.07 H new ATOM 0 HD2 LYS A 115 26.672 18.652 -9.419 1.00 1.46 H new ATOM 0 HD3 LYS A 115 28.165 19.404 -9.946 1.00 1.46 H new ATOM 0 HE2 LYS A 115 27.161 19.343 -7.052 1.00 1.80 H new ATOM 0 HE3 LYS A 115 28.408 18.296 -7.702 1.00 1.80 H new ATOM 0 HZ1 LYS A 115 29.578 20.054 -6.744 1.00 3.29 H new ATOM 0 HZ2 LYS A 115 29.562 20.467 -8.391 1.00 3.29 H new ATOM 0 HZ3 LYS A 115 28.498 21.234 -7.313 1.00 3.29 H new ATOM 1759 N LEU A 116 24.429 23.586 -12.630 1.00 0.53 N ATOM 1760 CA LEU A 116 24.169 23.957 -14.055 1.00 0.50 C ATOM 1761 C LEU A 116 25.137 25.065 -14.474 1.00 0.47 C ATOM 1762 O LEU A 116 25.310 26.046 -13.783 1.00 0.48 O ATOM 1763 CB LEU A 116 22.729 24.458 -14.211 1.00 0.41 C ATOM 1764 CG LEU A 116 21.743 23.334 -13.860 1.00 0.99 C ATOM 1765 CD1 LEU A 116 20.341 23.927 -13.704 1.00 1.30 C ATOM 1766 CD2 LEU A 116 21.729 22.264 -14.966 1.00 1.81 C ATOM 0 H LEU A 116 23.903 24.127 -11.943 1.00 0.53 H new ATOM 0 HA LEU A 116 24.314 23.080 -14.686 1.00 0.50 H new ATOM 0 HB2 LEU A 116 22.561 25.317 -13.561 1.00 0.41 H new ATOM 0 HB3 LEU A 116 22.561 24.795 -15.234 1.00 0.41 H new ATOM 0 HG LEU A 116 22.056 22.866 -12.927 1.00 0.99 H new ATOM 0 HD11 LEU A 116 19.636 23.134 -13.455 1.00 1.30 H new ATOM 0 HD12 LEU A 116 20.347 24.671 -12.907 1.00 1.30 H new ATOM 0 HD13 LEU A 116 20.040 24.399 -14.639 1.00 1.30 H new ATOM 0 HD21 LEU A 116 21.025 21.475 -14.700 1.00 1.81 H new ATOM 0 HD22 LEU A 116 21.425 22.719 -15.909 1.00 1.81 H new ATOM 0 HD23 LEU A 116 22.727 21.838 -15.073 1.00 1.81 H new ATOM 1778 N THR A 117 25.775 24.906 -15.605 1.00 0.60 N ATOM 1779 CA THR A 117 26.742 25.942 -16.075 1.00 0.66 C ATOM 1780 C THR A 117 26.009 26.998 -16.905 1.00 0.51 C ATOM 1781 O THR A 117 25.018 26.720 -17.551 1.00 0.42 O ATOM 1782 CB THR A 117 27.818 25.276 -16.940 1.00 0.90 C ATOM 1783 OG1 THR A 117 27.202 24.658 -18.061 1.00 0.96 O ATOM 1784 CG2 THR A 117 28.565 24.223 -16.116 1.00 1.00 C ATOM 0 H THR A 117 25.668 24.102 -16.224 1.00 0.60 H new ATOM 0 HA THR A 117 27.205 26.420 -15.212 1.00 0.66 H new ATOM 0 HB THR A 117 28.527 26.029 -17.283 1.00 0.90 H new ATOM 0 HG1 THR A 117 27.887 24.232 -18.618 1.00 0.96 H new ATOM 0 HG21 THR A 117 29.329 23.752 -16.734 1.00 1.00 H new ATOM 0 HG22 THR A 117 29.037 24.701 -15.257 1.00 1.00 H new ATOM 0 HG23 THR A 117 27.861 23.466 -15.769 1.00 1.00 H new ATOM 1792 N ASP A 118 26.495 28.210 -16.894 1.00 0.54 N ATOM 1793 CA ASP A 118 25.834 29.289 -17.681 1.00 0.45 C ATOM 1794 C ASP A 118 25.620 28.819 -19.120 1.00 0.38 C ATOM 1795 O ASP A 118 24.802 29.354 -19.843 1.00 0.34 O ATOM 1796 CB ASP A 118 26.726 30.532 -17.683 1.00 0.56 C ATOM 1797 CG ASP A 118 26.723 31.168 -16.292 1.00 0.84 C ATOM 1798 OD1 ASP A 118 25.828 31.951 -16.022 1.00 1.78 O ATOM 1799 OD2 ASP A 118 27.617 30.862 -15.521 1.00 0.44 O ATOM 0 H ASP A 118 27.323 28.499 -16.373 1.00 0.54 H new ATOM 0 HA ASP A 118 24.870 29.527 -17.231 1.00 0.45 H new ATOM 0 HB2 ASP A 118 27.743 30.262 -17.968 1.00 0.56 H new ATOM 0 HB3 ASP A 118 26.367 31.248 -18.422 1.00 0.56 H new ATOM 1804 N GLU A 119 26.346 27.821 -19.548 1.00 0.38 N ATOM 1805 CA GLU A 119 26.172 27.326 -20.948 1.00 0.33 C ATOM 1806 C GLU A 119 24.847 26.565 -21.044 1.00 0.29 C ATOM 1807 O GLU A 119 24.029 26.837 -21.901 1.00 0.25 O ATOM 1808 CB GLU A 119 27.335 26.394 -21.338 1.00 0.40 C ATOM 1809 CG GLU A 119 28.547 27.226 -21.780 1.00 0.53 C ATOM 1810 CD GLU A 119 29.736 26.298 -22.033 1.00 1.16 C ATOM 1811 OE1 GLU A 119 29.598 25.397 -22.843 1.00 2.36 O ATOM 1812 OE2 GLU A 119 30.767 26.505 -21.413 1.00 1.49 O ATOM 0 H GLU A 119 27.048 27.329 -18.995 1.00 0.38 H new ATOM 0 HA GLU A 119 26.166 28.175 -21.631 1.00 0.33 H new ATOM 0 HB2 GLU A 119 27.606 25.763 -20.492 1.00 0.40 H new ATOM 0 HB3 GLU A 119 27.025 25.730 -22.145 1.00 0.40 H new ATOM 0 HG2 GLU A 119 28.308 27.784 -22.685 1.00 0.53 H new ATOM 0 HG3 GLU A 119 28.799 27.957 -21.012 1.00 0.53 H new ATOM 1819 N GLU A 120 24.627 25.620 -20.173 1.00 0.32 N ATOM 1820 CA GLU A 120 23.349 24.855 -20.223 1.00 0.32 C ATOM 1821 C GLU A 120 22.177 25.838 -20.211 1.00 0.26 C ATOM 1822 O GLU A 120 21.167 25.627 -20.854 1.00 0.25 O ATOM 1823 CB GLU A 120 23.258 23.925 -19.008 1.00 0.38 C ATOM 1824 CG GLU A 120 24.146 22.696 -19.231 1.00 0.45 C ATOM 1825 CD GLU A 120 24.176 21.851 -17.956 1.00 0.44 C ATOM 1826 OE1 GLU A 120 24.879 22.230 -17.035 1.00 0.66 O ATOM 1827 OE2 GLU A 120 23.497 20.837 -17.926 1.00 0.27 O ATOM 0 H GLU A 120 25.272 25.345 -19.433 1.00 0.32 H new ATOM 0 HA GLU A 120 23.314 24.256 -21.133 1.00 0.32 H new ATOM 0 HB2 GLU A 120 23.572 24.454 -18.108 1.00 0.38 H new ATOM 0 HB3 GLU A 120 22.225 23.616 -18.851 1.00 0.38 H new ATOM 0 HG2 GLU A 120 23.764 22.104 -20.063 1.00 0.45 H new ATOM 0 HG3 GLU A 120 25.156 23.007 -19.498 1.00 0.45 H new ATOM 1834 N VAL A 121 22.309 26.916 -19.488 1.00 0.24 N ATOM 1835 CA VAL A 121 21.210 27.921 -19.436 1.00 0.18 C ATOM 1836 C VAL A 121 21.118 28.641 -20.778 1.00 0.17 C ATOM 1837 O VAL A 121 20.049 28.850 -21.314 1.00 0.16 O ATOM 1838 CB VAL A 121 21.505 28.940 -18.332 1.00 0.16 C ATOM 1839 CG1 VAL A 121 20.424 30.019 -18.340 1.00 0.11 C ATOM 1840 CG2 VAL A 121 21.515 28.233 -16.975 1.00 0.35 C ATOM 0 H VAL A 121 23.132 27.145 -18.930 1.00 0.24 H new ATOM 0 HA VAL A 121 20.266 27.418 -19.226 1.00 0.18 H new ATOM 0 HB VAL A 121 22.478 29.399 -18.507 1.00 0.16 H new ATOM 0 HG11 VAL A 121 20.630 30.747 -17.555 1.00 0.11 H new ATOM 0 HG12 VAL A 121 20.418 30.521 -19.308 1.00 0.11 H new ATOM 0 HG13 VAL A 121 19.451 29.561 -18.163 1.00 0.11 H new ATOM 0 HG21 VAL A 121 21.725 28.958 -16.189 1.00 0.35 H new ATOM 0 HG22 VAL A 121 20.542 27.775 -16.796 1.00 0.35 H new ATOM 0 HG23 VAL A 121 22.285 27.462 -16.972 1.00 0.35 H new ATOM 1850 N ASP A 122 22.236 29.019 -21.321 1.00 0.23 N ATOM 1851 CA ASP A 122 22.234 29.730 -22.631 1.00 0.23 C ATOM 1852 C ASP A 122 21.362 28.960 -23.629 1.00 0.23 C ATOM 1853 O ASP A 122 20.688 29.542 -24.453 1.00 0.23 O ATOM 1854 CB ASP A 122 23.664 29.828 -23.165 1.00 0.24 C ATOM 1855 CG ASP A 122 24.458 30.827 -22.322 1.00 0.25 C ATOM 1856 OD1 ASP A 122 23.883 31.831 -21.932 1.00 1.20 O ATOM 1857 OD2 ASP A 122 25.627 30.572 -22.078 1.00 1.17 O ATOM 0 H ASP A 122 23.159 28.867 -20.914 1.00 0.23 H new ATOM 0 HA ASP A 122 21.831 30.734 -22.498 1.00 0.23 H new ATOM 0 HB2 ASP A 122 24.143 28.849 -23.134 1.00 0.24 H new ATOM 0 HB3 ASP A 122 23.653 30.145 -24.208 1.00 0.24 H new ATOM 1862 N GLU A 123 21.358 27.657 -23.552 1.00 0.24 N ATOM 1863 CA GLU A 123 20.517 26.856 -24.486 1.00 0.25 C ATOM 1864 C GLU A 123 19.053 27.073 -24.092 1.00 0.26 C ATOM 1865 O GLU A 123 18.180 27.229 -24.921 1.00 0.28 O ATOM 1866 CB GLU A 123 20.945 25.361 -24.388 1.00 0.25 C ATOM 1867 CG GLU A 123 19.787 24.427 -23.985 1.00 1.09 C ATOM 1868 CD GLU A 123 18.710 24.425 -25.075 1.00 2.06 C ATOM 1869 OE1 GLU A 123 18.862 25.171 -26.029 1.00 2.60 O ATOM 1870 OE2 GLU A 123 17.755 23.681 -24.934 1.00 3.00 O ATOM 0 H GLU A 123 21.901 27.112 -22.882 1.00 0.24 H new ATOM 0 HA GLU A 123 20.645 27.163 -25.524 1.00 0.25 H new ATOM 0 HB2 GLU A 123 21.345 25.040 -25.350 1.00 0.25 H new ATOM 0 HB3 GLU A 123 21.751 25.267 -23.660 1.00 0.25 H new ATOM 0 HG2 GLU A 123 20.162 23.415 -23.831 1.00 1.09 H new ATOM 0 HG3 GLU A 123 19.357 24.755 -23.039 1.00 1.09 H new ATOM 1877 N MET A 124 18.797 27.090 -22.819 1.00 0.26 N ATOM 1878 CA MET A 124 17.411 27.303 -22.327 1.00 0.28 C ATOM 1879 C MET A 124 16.962 28.724 -22.688 1.00 0.31 C ATOM 1880 O MET A 124 15.794 28.980 -22.906 1.00 0.34 O ATOM 1881 CB MET A 124 17.388 27.079 -20.825 1.00 0.25 C ATOM 1882 CG MET A 124 17.786 25.631 -20.517 1.00 0.23 C ATOM 1883 SD MET A 124 17.622 25.329 -18.739 1.00 0.23 S ATOM 1884 CE MET A 124 17.727 23.522 -18.801 1.00 0.79 C ATOM 0 H MET A 124 19.497 26.964 -22.088 1.00 0.26 H new ATOM 0 HA MET A 124 16.721 26.600 -22.794 1.00 0.28 H new ATOM 0 HB2 MET A 124 18.075 27.768 -20.333 1.00 0.25 H new ATOM 0 HB3 MET A 124 16.393 27.285 -20.431 1.00 0.25 H new ATOM 0 HG2 MET A 124 17.152 24.941 -21.074 1.00 0.23 H new ATOM 0 HG3 MET A 124 18.812 25.449 -20.835 1.00 0.23 H new ATOM 0 HE1 MET A 124 16.799 23.091 -18.425 1.00 0.79 H new ATOM 0 HE2 MET A 124 17.885 23.202 -19.831 1.00 0.79 H new ATOM 0 HE3 MET A 124 18.560 23.185 -18.184 1.00 0.79 H new ATOM 1894 N ILE A 125 17.886 29.642 -22.776 1.00 0.32 N ATOM 1895 CA ILE A 125 17.536 31.046 -23.150 1.00 0.35 C ATOM 1896 C ILE A 125 17.329 31.144 -24.675 1.00 0.44 C ATOM 1897 O ILE A 125 16.620 32.002 -25.157 1.00 0.51 O ATOM 1898 CB ILE A 125 18.690 31.965 -22.716 1.00 0.35 C ATOM 1899 CG1 ILE A 125 18.658 32.100 -21.187 1.00 0.27 C ATOM 1900 CG2 ILE A 125 18.547 33.353 -23.364 1.00 0.41 C ATOM 1901 CD1 ILE A 125 19.860 32.914 -20.699 1.00 0.29 C ATOM 0 H ILE A 125 18.878 29.479 -22.603 1.00 0.32 H new ATOM 0 HA ILE A 125 16.613 31.348 -22.655 1.00 0.35 H new ATOM 0 HB ILE A 125 19.638 31.534 -23.037 1.00 0.35 H new ATOM 0 HG12 ILE A 125 17.732 32.585 -20.877 1.00 0.27 H new ATOM 0 HG13 ILE A 125 18.669 31.112 -20.728 1.00 0.27 H new ATOM 0 HG21 ILE A 125 19.372 33.990 -23.046 1.00 0.41 H new ATOM 0 HG22 ILE A 125 18.565 33.252 -24.449 1.00 0.41 H new ATOM 0 HG23 ILE A 125 17.603 33.802 -23.057 1.00 0.41 H new ATOM 0 HD11 ILE A 125 19.824 33.001 -19.613 1.00 0.29 H new ATOM 0 HD12 ILE A 125 20.782 32.412 -20.992 1.00 0.29 H new ATOM 0 HD13 ILE A 125 19.831 33.909 -21.144 1.00 0.29 H new ATOM 1913 N ARG A 126 17.956 30.280 -25.434 1.00 0.45 N ATOM 1914 CA ARG A 126 17.816 30.335 -26.924 1.00 0.55 C ATOM 1915 C ARG A 126 16.348 30.146 -27.341 1.00 0.62 C ATOM 1916 O ARG A 126 15.783 30.980 -28.019 1.00 0.72 O ATOM 1917 CB ARG A 126 18.683 29.228 -27.562 1.00 0.52 C ATOM 1918 CG ARG A 126 20.133 29.717 -27.745 1.00 0.77 C ATOM 1919 CD ARG A 126 20.973 28.644 -28.477 1.00 1.12 C ATOM 1920 NE ARG A 126 22.294 28.472 -27.788 1.00 1.79 N ATOM 1921 CZ ARG A 126 23.028 29.502 -27.454 1.00 1.92 C ATOM 1922 NH1 ARG A 126 22.674 30.707 -27.807 1.00 1.62 N ATOM 1923 NH2 ARG A 126 24.136 29.322 -26.788 1.00 2.70 N ATOM 0 H ARG A 126 18.561 29.536 -25.086 1.00 0.45 H new ATOM 0 HA ARG A 126 18.150 31.313 -27.270 1.00 0.55 H new ATOM 0 HB2 ARG A 126 18.670 28.339 -26.932 1.00 0.52 H new ATOM 0 HB3 ARG A 126 18.265 28.941 -28.527 1.00 0.52 H new ATOM 0 HG2 ARG A 126 20.141 30.646 -28.315 1.00 0.77 H new ATOM 0 HG3 ARG A 126 20.576 29.935 -26.773 1.00 0.77 H new ATOM 0 HD2 ARG A 126 20.435 27.696 -28.492 1.00 1.12 H new ATOM 0 HD3 ARG A 126 21.130 28.938 -29.515 1.00 1.12 H new ATOM 0 HE ARG A 126 22.627 27.532 -27.575 1.00 1.79 H new ATOM 0 HH11 ARG A 126 21.820 30.850 -28.347 1.00 1.62 H new ATOM 0 HH12 ARG A 126 23.251 31.506 -27.543 1.00 1.62 H new ATOM 0 HH21 ARG A 126 24.428 28.380 -26.529 1.00 2.70 H new ATOM 0 HH22 ARG A 126 24.710 30.124 -26.527 1.00 2.70 H new ATOM 1937 N GLU A 127 15.732 29.051 -26.974 1.00 0.60 N ATOM 1938 CA GLU A 127 14.312 28.828 -27.399 1.00 0.71 C ATOM 1939 C GLU A 127 13.344 29.622 -26.509 1.00 0.63 C ATOM 1940 O GLU A 127 12.194 29.809 -26.854 1.00 0.63 O ATOM 1941 CB GLU A 127 13.979 27.332 -27.312 1.00 0.78 C ATOM 1942 CG GLU A 127 14.631 26.589 -28.485 1.00 0.91 C ATOM 1943 CD GLU A 127 14.175 25.130 -28.476 1.00 0.56 C ATOM 1944 OE1 GLU A 127 13.000 24.895 -28.696 1.00 1.09 O ATOM 1945 OE2 GLU A 127 15.012 24.269 -28.251 1.00 1.26 O ATOM 0 H GLU A 127 16.142 28.309 -26.406 1.00 0.60 H new ATOM 0 HA GLU A 127 14.200 29.173 -28.427 1.00 0.71 H new ATOM 0 HB2 GLU A 127 14.337 26.924 -26.367 1.00 0.78 H new ATOM 0 HB3 GLU A 127 12.899 27.188 -27.333 1.00 0.78 H new ATOM 0 HG2 GLU A 127 14.356 27.062 -29.428 1.00 0.91 H new ATOM 0 HG3 GLU A 127 15.717 26.643 -28.406 1.00 0.91 H new ATOM 1952 N ALA A 128 13.799 30.128 -25.395 1.00 0.55 N ATOM 1953 CA ALA A 128 12.923 30.946 -24.529 1.00 0.48 C ATOM 1954 C ALA A 128 13.083 32.379 -24.977 1.00 0.43 C ATOM 1955 O ALA A 128 13.825 33.124 -24.385 1.00 0.39 O ATOM 1956 CB ALA A 128 13.343 30.842 -23.068 1.00 0.43 C ATOM 0 H ALA A 128 14.751 30.005 -25.050 1.00 0.55 H new ATOM 0 HA ALA A 128 11.893 30.599 -24.610 1.00 0.48 H new ATOM 0 HB1 ALA A 128 12.681 31.454 -22.455 1.00 0.43 H new ATOM 0 HB2 ALA A 128 13.280 29.803 -22.744 1.00 0.43 H new ATOM 0 HB3 ALA A 128 14.368 31.195 -22.958 1.00 0.43 H new ATOM 1962 N ASP A 129 12.428 32.739 -26.039 1.00 0.44 N ATOM 1963 CA ASP A 129 12.546 34.140 -26.605 1.00 0.43 C ATOM 1964 C ASP A 129 12.609 35.137 -25.449 1.00 0.36 C ATOM 1965 O ASP A 129 11.624 35.698 -25.015 1.00 0.31 O ATOM 1966 CB ASP A 129 11.332 34.474 -27.493 1.00 0.48 C ATOM 1967 CG ASP A 129 11.379 35.951 -27.892 1.00 2.39 C ATOM 1968 OD1 ASP A 129 12.455 36.417 -28.235 1.00 3.62 O ATOM 1969 OD2 ASP A 129 10.343 36.590 -27.848 1.00 2.99 O ATOM 0 H ASP A 129 11.802 32.124 -26.559 1.00 0.44 H new ATOM 0 HA ASP A 129 13.450 34.200 -27.212 1.00 0.43 H new ATOM 0 HB2 ASP A 129 11.336 33.846 -28.384 1.00 0.48 H new ATOM 0 HB3 ASP A 129 10.407 34.261 -26.957 1.00 0.48 H new ATOM 1974 N ILE A 130 13.785 35.285 -24.919 1.00 0.34 N ATOM 1975 CA ILE A 130 14.017 36.158 -23.739 1.00 0.29 C ATOM 1976 C ILE A 130 14.188 37.624 -24.140 1.00 0.32 C ATOM 1977 O ILE A 130 14.393 38.496 -23.318 1.00 0.45 O ATOM 1978 CB ILE A 130 15.283 35.604 -23.055 1.00 0.31 C ATOM 1979 CG1 ILE A 130 14.925 34.356 -22.153 1.00 0.32 C ATOM 1980 CG2 ILE A 130 16.020 36.704 -22.288 1.00 0.38 C ATOM 1981 CD1 ILE A 130 15.516 34.477 -20.735 1.00 0.36 C ATOM 0 H ILE A 130 14.624 34.821 -25.267 1.00 0.34 H new ATOM 0 HA ILE A 130 13.161 36.145 -23.064 1.00 0.29 H new ATOM 0 HB ILE A 130 15.973 35.252 -23.821 1.00 0.31 H new ATOM 0 HG12 ILE A 130 13.842 34.256 -22.086 1.00 0.32 H new ATOM 0 HG13 ILE A 130 15.300 33.448 -22.625 1.00 0.32 H new ATOM 0 HG21 ILE A 130 16.909 36.285 -21.816 1.00 0.38 H new ATOM 0 HG22 ILE A 130 16.314 37.494 -22.978 1.00 0.38 H new ATOM 0 HG23 ILE A 130 15.363 37.117 -21.523 1.00 0.38 H new ATOM 0 HD11 ILE A 130 15.244 33.597 -20.151 1.00 0.36 H new ATOM 0 HD12 ILE A 130 16.602 34.549 -20.798 1.00 0.36 H new ATOM 0 HD13 ILE A 130 15.120 35.370 -20.251 1.00 0.36 H new ATOM 1993 N ASP A 131 14.078 37.880 -25.374 1.00 0.32 N ATOM 1994 CA ASP A 131 14.198 39.250 -25.912 1.00 0.35 C ATOM 1995 C ASP A 131 12.857 39.607 -26.510 1.00 0.28 C ATOM 1996 O ASP A 131 11.834 39.068 -26.132 1.00 0.32 O ATOM 1997 CB ASP A 131 15.304 39.293 -26.985 1.00 0.52 C ATOM 1998 CG ASP A 131 15.668 40.748 -27.287 1.00 0.59 C ATOM 1999 OD1 ASP A 131 16.247 41.386 -26.423 1.00 1.64 O ATOM 2000 OD2 ASP A 131 15.361 41.200 -28.378 1.00 0.73 O ATOM 0 H ASP A 131 13.900 37.169 -26.083 1.00 0.32 H new ATOM 0 HA ASP A 131 14.468 39.962 -25.132 1.00 0.35 H new ATOM 0 HB2 ASP A 131 16.184 38.752 -26.637 1.00 0.52 H new ATOM 0 HB3 ASP A 131 14.963 38.796 -27.894 1.00 0.52 H new ATOM 2005 N GLY A 132 12.836 40.508 -27.420 1.00 0.30 N ATOM 2006 CA GLY A 132 11.543 40.910 -28.022 1.00 0.39 C ATOM 2007 C GLY A 132 10.731 41.680 -26.975 1.00 0.33 C ATOM 2008 O GLY A 132 9.916 42.518 -27.307 1.00 0.44 O ATOM 0 H GLY A 132 13.657 40.993 -27.783 1.00 0.30 H new ATOM 0 HA2 GLY A 132 11.713 41.532 -28.901 1.00 0.39 H new ATOM 0 HA3 GLY A 132 10.992 40.031 -28.356 1.00 0.39 H new ATOM 2012 N ASP A 133 10.953 41.402 -25.707 1.00 0.17 N ATOM 2013 CA ASP A 133 10.199 42.117 -24.624 1.00 0.11 C ATOM 2014 C ASP A 133 11.181 42.601 -23.555 1.00 0.17 C ATOM 2015 O ASP A 133 11.605 43.742 -23.557 1.00 0.31 O ATOM 2016 CB ASP A 133 9.191 41.154 -23.989 1.00 0.22 C ATOM 2017 CG ASP A 133 8.512 41.835 -22.802 1.00 1.15 C ATOM 2018 OD1 ASP A 133 8.175 43.001 -22.927 1.00 1.82 O ATOM 2019 OD2 ASP A 133 8.339 41.181 -21.786 1.00 2.09 O ATOM 0 H ASP A 133 11.625 40.709 -25.377 1.00 0.17 H new ATOM 0 HA ASP A 133 9.672 42.972 -25.048 1.00 0.11 H new ATOM 0 HB2 ASP A 133 8.445 40.854 -24.725 1.00 0.22 H new ATOM 0 HB3 ASP A 133 9.697 40.246 -23.660 1.00 0.22 H new ATOM 2024 N GLY A 134 11.543 41.744 -22.642 1.00 0.18 N ATOM 2025 CA GLY A 134 12.495 42.141 -21.560 1.00 0.37 C ATOM 2026 C GLY A 134 12.258 41.251 -20.341 1.00 0.28 C ATOM 2027 O GLY A 134 13.154 40.989 -19.561 1.00 0.29 O ATOM 0 H GLY A 134 11.219 40.778 -22.596 1.00 0.18 H new ATOM 0 HA2 GLY A 134 13.523 42.039 -21.907 1.00 0.37 H new ATOM 0 HA3 GLY A 134 12.350 43.189 -21.296 1.00 0.37 H new ATOM 2031 N GLN A 135 11.053 40.771 -20.192 1.00 0.23 N ATOM 2032 CA GLN A 135 10.706 39.874 -19.047 1.00 0.20 C ATOM 2033 C GLN A 135 10.182 38.557 -19.629 1.00 0.31 C ATOM 2034 O GLN A 135 9.836 38.490 -20.792 1.00 0.54 O ATOM 2035 CB GLN A 135 9.615 40.534 -18.198 1.00 0.18 C ATOM 2036 CG GLN A 135 9.979 42.005 -17.945 1.00 0.23 C ATOM 2037 CD GLN A 135 9.227 42.523 -16.715 1.00 0.25 C ATOM 2038 OE1 GLN A 135 8.316 41.882 -16.229 1.00 1.00 O ATOM 2039 NE2 GLN A 135 9.574 43.666 -16.190 1.00 1.29 N ATOM 0 H GLN A 135 10.279 40.965 -20.827 1.00 0.23 H new ATOM 0 HA GLN A 135 11.579 39.692 -18.419 1.00 0.20 H new ATOM 0 HB2 GLN A 135 8.654 40.469 -18.708 1.00 0.18 H new ATOM 0 HB3 GLN A 135 9.509 40.007 -17.250 1.00 0.18 H new ATOM 0 HG2 GLN A 135 11.054 42.102 -17.793 1.00 0.23 H new ATOM 0 HG3 GLN A 135 9.725 42.607 -18.818 1.00 0.23 H new ATOM 0 HE21 GLN A 135 10.339 44.204 -16.598 1.00 1.29 H new ATOM 0 HE22 GLN A 135 9.081 44.022 -15.371 1.00 1.29 H new ATOM 2048 N VAL A 136 10.138 37.502 -18.854 1.00 0.23 N ATOM 2049 CA VAL A 136 9.654 36.194 -19.395 1.00 0.38 C ATOM 2050 C VAL A 136 8.824 35.477 -18.328 1.00 0.53 C ATOM 2051 O VAL A 136 9.063 35.618 -17.143 1.00 0.55 O ATOM 2052 CB VAL A 136 10.876 35.339 -19.746 1.00 0.25 C ATOM 2053 CG1 VAL A 136 10.535 34.270 -20.796 1.00 0.40 C ATOM 2054 CG2 VAL A 136 11.984 36.237 -20.296 1.00 0.25 C ATOM 0 H VAL A 136 10.415 37.489 -17.873 1.00 0.23 H new ATOM 0 HA VAL A 136 9.037 36.356 -20.279 1.00 0.38 H new ATOM 0 HB VAL A 136 11.205 34.836 -18.837 1.00 0.25 H new ATOM 0 HG11 VAL A 136 11.426 33.683 -21.020 1.00 0.40 H new ATOM 0 HG12 VAL A 136 9.756 33.614 -20.407 1.00 0.40 H new ATOM 0 HG13 VAL A 136 10.181 34.754 -21.706 1.00 0.40 H new ATOM 0 HG21 VAL A 136 12.854 35.630 -20.546 1.00 0.25 H new ATOM 0 HG22 VAL A 136 11.628 36.747 -21.191 1.00 0.25 H new ATOM 0 HG23 VAL A 136 12.261 36.975 -19.544 1.00 0.25 H new ATOM 2064 N ASN A 137 7.867 34.695 -18.737 1.00 0.72 N ATOM 2065 CA ASN A 137 7.044 33.952 -17.750 1.00 0.91 C ATOM 2066 C ASN A 137 7.834 32.724 -17.287 1.00 0.80 C ATOM 2067 O ASN A 137 7.739 31.642 -17.836 1.00 1.31 O ATOM 2068 CB ASN A 137 5.676 33.569 -18.372 1.00 1.14 C ATOM 2069 CG ASN A 137 5.205 32.180 -17.922 1.00 0.98 C ATOM 2070 OD1 ASN A 137 4.541 32.050 -16.917 1.00 1.41 O ATOM 2071 ND2 ASN A 137 5.517 31.135 -18.642 1.00 2.15 N ATOM 0 H ASN A 137 7.620 34.539 -19.714 1.00 0.72 H new ATOM 0 HA ASN A 137 6.830 34.575 -16.882 1.00 0.91 H new ATOM 0 HB2 ASN A 137 4.930 34.313 -18.091 1.00 1.14 H new ATOM 0 HB3 ASN A 137 5.754 33.590 -19.459 1.00 1.14 H new ATOM 0 HD21 ASN A 137 5.201 30.207 -18.358 1.00 2.15 H new ATOM 0 HD22 ASN A 137 6.076 31.247 -19.488 1.00 2.15 H new ATOM 2078 N TYR A 138 8.607 32.913 -16.271 1.00 0.94 N ATOM 2079 CA TYR A 138 9.432 31.818 -15.703 1.00 0.82 C ATOM 2080 C TYR A 138 8.704 30.462 -15.686 1.00 0.70 C ATOM 2081 O TYR A 138 9.340 29.432 -15.666 1.00 0.59 O ATOM 2082 CB TYR A 138 9.748 32.195 -14.260 1.00 0.99 C ATOM 2083 CG TYR A 138 8.507 32.102 -13.360 1.00 0.57 C ATOM 2084 CD1 TYR A 138 7.205 32.447 -13.803 1.00 1.55 C ATOM 2085 CD2 TYR A 138 8.686 31.695 -12.040 1.00 0.75 C ATOM 2086 CE1 TYR A 138 6.126 32.381 -12.936 1.00 1.54 C ATOM 2087 CE2 TYR A 138 7.592 31.621 -11.163 1.00 0.99 C ATOM 2088 CZ TYR A 138 6.312 31.969 -11.612 1.00 0.84 C ATOM 2089 OH TYR A 138 5.236 31.904 -10.750 1.00 1.29 O ATOM 0 H TYR A 138 8.708 33.808 -15.792 1.00 0.94 H new ATOM 0 HA TYR A 138 10.320 31.705 -16.324 1.00 0.82 H new ATOM 0 HB2 TYR A 138 10.526 31.536 -13.875 1.00 0.99 H new ATOM 0 HB3 TYR A 138 10.145 33.210 -14.228 1.00 0.99 H new ATOM 0 HD1 TYR A 138 7.053 32.764 -14.824 1.00 1.55 H new ATOM 0 HD2 TYR A 138 9.673 31.434 -11.689 1.00 0.75 H new ATOM 0 HE1 TYR A 138 5.139 32.648 -13.283 1.00 1.54 H new ATOM 0 HE2 TYR A 138 7.737 31.296 -10.143 1.00 0.99 H new ATOM 0 HH TYR A 138 5.540 31.598 -9.870 1.00 1.29 H new ATOM 2099 N GLU A 139 7.400 30.431 -15.667 1.00 0.75 N ATOM 2100 CA GLU A 139 6.704 29.113 -15.618 1.00 0.67 C ATOM 2101 C GLU A 139 7.280 28.171 -16.684 1.00 0.52 C ATOM 2102 O GLU A 139 7.459 26.992 -16.446 1.00 0.51 O ATOM 2103 CB GLU A 139 5.192 29.316 -15.837 1.00 0.62 C ATOM 2104 CG GLU A 139 4.409 28.234 -15.093 1.00 0.44 C ATOM 2105 CD GLU A 139 2.982 28.154 -15.643 1.00 0.78 C ATOM 2106 OE1 GLU A 139 2.838 28.023 -16.848 1.00 1.61 O ATOM 2107 OE2 GLU A 139 2.057 28.225 -14.850 1.00 1.45 O ATOM 0 H GLU A 139 6.792 31.250 -15.683 1.00 0.75 H new ATOM 0 HA GLU A 139 6.861 28.661 -14.639 1.00 0.67 H new ATOM 0 HB2 GLU A 139 4.893 30.302 -15.482 1.00 0.62 H new ATOM 0 HB3 GLU A 139 4.961 29.277 -16.902 1.00 0.62 H new ATOM 0 HG2 GLU A 139 4.906 27.271 -15.205 1.00 0.44 H new ATOM 0 HG3 GLU A 139 4.385 28.458 -14.027 1.00 0.44 H new ATOM 2114 N GLU A 140 7.578 28.674 -17.850 1.00 0.43 N ATOM 2115 CA GLU A 140 8.144 27.794 -18.915 1.00 0.29 C ATOM 2116 C GLU A 140 9.572 27.388 -18.532 1.00 0.24 C ATOM 2117 O GLU A 140 9.993 26.270 -18.747 1.00 0.21 O ATOM 2118 CB GLU A 140 8.171 28.553 -20.242 1.00 0.23 C ATOM 2119 CG GLU A 140 6.755 28.644 -20.812 1.00 0.71 C ATOM 2120 CD GLU A 140 6.772 29.497 -22.082 1.00 1.30 C ATOM 2121 OE1 GLU A 140 7.849 29.707 -22.617 1.00 1.79 O ATOM 2122 OE2 GLU A 140 5.708 29.929 -22.498 1.00 2.14 O ATOM 0 H GLU A 140 7.455 29.652 -18.112 1.00 0.43 H new ATOM 0 HA GLU A 140 7.525 26.903 -19.018 1.00 0.29 H new ATOM 0 HB2 GLU A 140 8.578 29.553 -20.092 1.00 0.23 H new ATOM 0 HB3 GLU A 140 8.826 28.045 -20.949 1.00 0.23 H new ATOM 0 HG2 GLU A 140 6.376 27.647 -21.036 1.00 0.71 H new ATOM 0 HG3 GLU A 140 6.082 29.083 -20.075 1.00 0.71 H new ATOM 2129 N PHE A 141 10.316 28.300 -17.971 1.00 0.26 N ATOM 2130 CA PHE A 141 11.721 27.989 -17.572 1.00 0.23 C ATOM 2131 C PHE A 141 11.712 27.009 -16.386 1.00 0.25 C ATOM 2132 O PHE A 141 12.577 26.167 -16.257 1.00 0.19 O ATOM 2133 CB PHE A 141 12.436 29.310 -17.177 1.00 0.25 C ATOM 2134 CG PHE A 141 13.560 29.631 -18.143 1.00 0.21 C ATOM 2135 CD1 PHE A 141 14.774 28.951 -18.040 1.00 0.18 C ATOM 2136 CD2 PHE A 141 13.389 30.615 -19.131 1.00 0.28 C ATOM 2137 CE1 PHE A 141 15.816 29.249 -18.920 1.00 0.19 C ATOM 2138 CE2 PHE A 141 14.442 30.909 -20.011 1.00 0.25 C ATOM 2139 CZ PHE A 141 15.647 30.227 -19.903 1.00 0.19 C ATOM 0 H PHE A 141 10.012 29.253 -17.770 1.00 0.26 H new ATOM 0 HA PHE A 141 12.254 27.527 -18.403 1.00 0.23 H new ATOM 0 HB2 PHE A 141 11.716 30.128 -17.167 1.00 0.25 H new ATOM 0 HB3 PHE A 141 12.834 29.224 -16.166 1.00 0.25 H new ATOM 0 HD1 PHE A 141 14.907 28.195 -17.280 1.00 0.18 H new ATOM 0 HD2 PHE A 141 12.451 31.143 -19.213 1.00 0.28 H new ATOM 0 HE1 PHE A 141 16.755 28.722 -18.841 1.00 0.19 H new ATOM 0 HE2 PHE A 141 14.315 31.665 -20.772 1.00 0.25 H new ATOM 0 HZ PHE A 141 16.456 30.454 -20.581 1.00 0.19 H new ATOM 2149 N VAL A 142 10.737 27.114 -15.521 1.00 0.44 N ATOM 2150 CA VAL A 142 10.670 26.198 -14.347 1.00 0.51 C ATOM 2151 C VAL A 142 10.408 24.766 -14.834 1.00 0.58 C ATOM 2152 O VAL A 142 10.904 23.808 -14.276 1.00 0.71 O ATOM 2153 CB VAL A 142 9.523 26.641 -13.432 1.00 0.74 C ATOM 2154 CG1 VAL A 142 9.266 25.574 -12.360 1.00 0.78 C ATOM 2155 CG2 VAL A 142 9.902 27.958 -12.756 1.00 0.78 C ATOM 0 H VAL A 142 9.982 27.798 -15.579 1.00 0.44 H new ATOM 0 HA VAL A 142 11.612 26.230 -13.800 1.00 0.51 H new ATOM 0 HB VAL A 142 8.619 26.775 -14.026 1.00 0.74 H new ATOM 0 HG11 VAL A 142 8.449 25.897 -11.714 1.00 0.78 H new ATOM 0 HG12 VAL A 142 8.999 24.633 -12.840 1.00 0.78 H new ATOM 0 HG13 VAL A 142 10.167 25.434 -11.763 1.00 0.78 H new ATOM 0 HG21 VAL A 142 9.090 28.279 -12.103 1.00 0.78 H new ATOM 0 HG22 VAL A 142 10.808 27.817 -12.166 1.00 0.78 H new ATOM 0 HG23 VAL A 142 10.079 28.719 -13.516 1.00 0.78 H new ATOM 2165 N GLN A 143 9.614 24.617 -15.861 1.00 0.63 N ATOM 2166 CA GLN A 143 9.295 23.252 -16.375 1.00 0.74 C ATOM 2167 C GLN A 143 10.494 22.674 -17.134 1.00 0.63 C ATOM 2168 O GLN A 143 10.620 21.475 -17.285 1.00 0.80 O ATOM 2169 CB GLN A 143 8.090 23.341 -17.318 1.00 0.87 C ATOM 2170 CG GLN A 143 6.808 23.524 -16.500 1.00 0.91 C ATOM 2171 CD GLN A 143 6.405 22.186 -15.874 1.00 1.34 C ATOM 2172 OE1 GLN A 143 5.728 21.390 -16.494 1.00 1.45 O ATOM 2173 NE2 GLN A 143 6.795 21.904 -14.661 1.00 2.84 N ATOM 0 H GLN A 143 9.171 25.384 -16.368 1.00 0.63 H new ATOM 0 HA GLN A 143 9.064 22.599 -15.534 1.00 0.74 H new ATOM 0 HB2 GLN A 143 8.216 24.176 -18.007 1.00 0.87 H new ATOM 0 HB3 GLN A 143 8.021 22.437 -17.923 1.00 0.87 H new ATOM 0 HG2 GLN A 143 6.965 24.270 -15.720 1.00 0.91 H new ATOM 0 HG3 GLN A 143 6.006 23.895 -17.139 1.00 0.91 H new ATOM 0 HE21 GLN A 143 7.363 22.572 -14.140 1.00 2.84 H new ATOM 0 HE22 GLN A 143 6.532 21.016 -14.234 1.00 2.84 H new ATOM 2182 N MET A 144 11.368 23.508 -17.625 1.00 0.39 N ATOM 2183 CA MET A 144 12.542 22.988 -18.389 1.00 0.42 C ATOM 2184 C MET A 144 13.599 22.435 -17.425 1.00 0.50 C ATOM 2185 O MET A 144 14.194 21.404 -17.676 1.00 0.73 O ATOM 2186 CB MET A 144 13.143 24.120 -19.238 1.00 0.31 C ATOM 2187 CG MET A 144 12.346 24.269 -20.539 1.00 0.33 C ATOM 2188 SD MET A 144 12.794 25.824 -21.351 1.00 0.28 S ATOM 2189 CE MET A 144 11.146 26.256 -21.963 1.00 0.97 C ATOM 0 H MET A 144 11.323 24.523 -17.532 1.00 0.39 H new ATOM 0 HA MET A 144 12.214 22.181 -19.044 1.00 0.42 H new ATOM 0 HB2 MET A 144 13.124 25.056 -18.679 1.00 0.31 H new ATOM 0 HB3 MET A 144 14.187 23.904 -19.463 1.00 0.31 H new ATOM 0 HG2 MET A 144 12.552 23.428 -21.202 1.00 0.33 H new ATOM 0 HG3 MET A 144 11.277 24.253 -20.326 1.00 0.33 H new ATOM 0 HE1 MET A 144 11.133 27.303 -22.265 1.00 0.97 H new ATOM 0 HE2 MET A 144 10.900 25.628 -22.819 1.00 0.97 H new ATOM 0 HE3 MET A 144 10.411 26.097 -21.174 1.00 0.97 H new ATOM 2199 N MET A 145 13.846 23.100 -16.333 1.00 0.32 N ATOM 2200 CA MET A 145 14.872 22.588 -15.377 1.00 0.39 C ATOM 2201 C MET A 145 14.403 21.250 -14.802 1.00 0.59 C ATOM 2202 O MET A 145 15.185 20.476 -14.287 1.00 0.74 O ATOM 2203 CB MET A 145 15.068 23.601 -14.238 1.00 0.20 C ATOM 2204 CG MET A 145 15.747 24.895 -14.764 1.00 0.21 C ATOM 2205 SD MET A 145 17.170 25.326 -13.722 1.00 0.36 S ATOM 2206 CE MET A 145 16.261 25.692 -12.201 1.00 0.33 C ATOM 0 H MET A 145 13.388 23.969 -16.060 1.00 0.32 H new ATOM 0 HA MET A 145 15.819 22.449 -15.898 1.00 0.39 H new ATOM 0 HB2 MET A 145 14.104 23.846 -13.793 1.00 0.20 H new ATOM 0 HB3 MET A 145 15.679 23.158 -13.452 1.00 0.20 H new ATOM 0 HG2 MET A 145 16.072 24.750 -15.794 1.00 0.21 H new ATOM 0 HG3 MET A 145 15.029 25.715 -14.768 1.00 0.21 H new ATOM 0 HE1 MET A 145 16.801 26.445 -11.627 1.00 0.33 H new ATOM 0 HE2 MET A 145 15.269 26.068 -12.451 1.00 0.33 H new ATOM 0 HE3 MET A 145 16.165 24.783 -11.607 1.00 0.33 H new ATOM 2216 N THR A 146 13.131 20.973 -14.887 1.00 0.64 N ATOM 2217 CA THR A 146 12.598 19.702 -14.355 1.00 0.88 C ATOM 2218 C THR A 146 12.843 18.591 -15.377 1.00 0.97 C ATOM 2219 O THR A 146 13.655 17.711 -15.181 1.00 0.73 O ATOM 2220 CB THR A 146 11.089 19.911 -14.118 1.00 0.96 C ATOM 2221 OG1 THR A 146 10.698 21.129 -14.729 1.00 0.84 O ATOM 2222 CG2 THR A 146 10.784 19.988 -12.618 1.00 1.04 C ATOM 0 H THR A 146 12.434 21.586 -15.310 1.00 0.64 H new ATOM 0 HA THR A 146 13.086 19.415 -13.423 1.00 0.88 H new ATOM 0 HB THR A 146 10.542 19.071 -14.546 1.00 0.96 H new ATOM 0 HG1 THR A 146 10.961 21.881 -14.158 1.00 0.84 H new ATOM 0 HG21 THR A 146 9.714 20.136 -12.471 1.00 1.04 H new ATOM 0 HG22 THR A 146 11.092 19.060 -12.136 1.00 1.04 H new ATOM 0 HG23 THR A 146 11.329 20.823 -12.178 1.00 1.04 H new ATOM 2230 N ALA A 147 12.141 18.650 -16.462 1.00 1.37 N ATOM 2231 CA ALA A 147 12.295 17.632 -17.527 1.00 1.53 C ATOM 2232 C ALA A 147 11.357 17.976 -18.676 1.00 2.26 C ATOM 2233 O ALA A 147 10.149 17.965 -18.544 1.00 2.79 O ATOM 2234 CB ALA A 147 11.946 16.245 -17.005 1.00 1.80 C ATOM 0 H ALA A 147 11.452 19.375 -16.662 1.00 1.37 H new ATOM 0 HA ALA A 147 13.332 17.630 -17.863 1.00 1.53 H new ATOM 0 HB1 ALA A 147 12.067 15.514 -17.805 1.00 1.80 H new ATOM 0 HB2 ALA A 147 12.609 15.990 -16.178 1.00 1.80 H new ATOM 0 HB3 ALA A 147 10.913 16.236 -16.658 1.00 1.80 H new ATOM 2240 N LYS A 148 11.918 18.274 -19.798 1.00 2.38 N ATOM 2241 CA LYS A 148 11.100 18.630 -20.996 1.00 3.15 C ATOM 2242 C LYS A 148 9.940 17.636 -21.137 1.00 3.91 C ATOM 2243 O LYS A 148 10.156 16.462 -20.886 1.00 3.97 O ATOM 2244 CB LYS A 148 11.982 18.565 -22.249 1.00 3.15 C ATOM 2245 CG LYS A 148 12.850 19.824 -22.342 1.00 2.91 C ATOM 2246 CD LYS A 148 13.786 19.901 -21.129 1.00 1.75 C ATOM 2247 CE LYS A 148 14.925 20.883 -21.417 1.00 1.39 C ATOM 2248 NZ LYS A 148 15.545 21.318 -20.132 1.00 1.35 N ATOM 2249 OXT LYS A 148 8.858 18.068 -21.493 1.00 4.54 O ATOM 0 H LYS A 148 12.926 18.289 -19.950 1.00 2.38 H new ATOM 0 HA LYS A 148 10.702 19.638 -20.880 1.00 3.15 H new ATOM 0 HB2 LYS A 148 12.615 17.678 -22.213 1.00 3.15 H new ATOM 0 HB3 LYS A 148 11.359 18.476 -23.139 1.00 3.15 H new ATOM 0 HG2 LYS A 148 13.433 19.807 -23.263 1.00 2.91 H new ATOM 0 HG3 LYS A 148 12.217 20.711 -22.382 1.00 2.91 H new ATOM 0 HD2 LYS A 148 13.230 20.222 -20.248 1.00 1.75 H new ATOM 0 HD3 LYS A 148 14.191 18.914 -20.907 1.00 1.75 H new ATOM 0 HE2 LYS A 148 15.674 20.411 -22.053 1.00 1.39 H new ATOM 0 HE3 LYS A 148 14.545 21.748 -21.961 1.00 1.39 H new ATOM 0 HZ1 LYS A 148 15.812 22.321 -20.197 1.00 1.35 H new ATOM 0 HZ2 LYS A 148 14.863 21.191 -19.357 1.00 1.35 H new ATOM 0 HZ3 LYS A 148 16.393 20.746 -19.945 1.00 1.35 H new TER 2263 LYS A 148