USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 48 GLN : amide:sc= -6! C(o=-7.7!,f=-5.1!) USER MOD Set 1.2: A 66 THR OG1 : rot 90:sc= -1.71! USER MOD Set 2.1: A 56 LYS NZ :NH3+ -119:sc= 0.00525 (180deg=0) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0.00356 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.074 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 5:sc= 1 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 26 TYR OH : rot 80:sc= -3.6! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 31 MET CE :methyl 169:sc= 0 (180deg=-0.0223) USER MOD Single : A 32 SER OG : rot 171:sc= -0.884 USER MOD Single : A 34 ASN : amide:sc= -2.16 K(o=-2.2,f=-19!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.093 USER MOD Single : A 67 CYS SG : rot -52:sc= -0.294 USER MOD Single : A 75 CYS SG : rot -14:sc= 0.128 USER MOD Single : A 76 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 77 MET CE :methyl 162:sc= -0.0396 (180deg=-0.24) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -141:sc= 0 (180deg=-0.00774) USER MOD Single : A 91 GLN : amide:sc= -1.05 K(o=-1,f=-4.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 33:sc= 0.873 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.623 -22.232 -3.938 1.00 0.00 N ATOM 2 CA GLY A 1 -22.174 -21.743 -5.189 1.00 0.00 C ATOM 3 C GLY A 1 -21.354 -22.170 -6.390 1.00 0.00 C ATOM 4 O GLY A 1 -20.314 -22.813 -6.243 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.377 -22.677 -3.377 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.880 -22.932 -4.136 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.217 -21.438 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.194 -22.109 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.228 -20.655 -5.158 1.00 0.00 H new ATOM 8 N SER A 2 -21.822 -21.813 -7.581 1.00 0.00 N ATOM 9 CA SER A 2 -21.127 -22.168 -8.814 1.00 0.00 C ATOM 10 C SER A 2 -20.308 -20.991 -9.334 1.00 0.00 C ATOM 11 O SER A 2 -20.855 -20.032 -9.877 1.00 0.00 O ATOM 12 CB SER A 2 -22.130 -22.616 -9.878 1.00 0.00 C ATOM 13 OG SER A 2 -21.487 -22.845 -11.120 1.00 0.00 O ATOM 0 H SER A 2 -22.679 -21.278 -7.719 1.00 0.00 H new ATOM 0 HA SER A 2 -20.448 -22.992 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.630 -23.527 -9.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.901 -21.855 -9.999 1.00 0.00 H new ATOM 0 HG SER A 2 -22.149 -23.132 -11.783 1.00 0.00 H new ATOM 19 N SER A 3 -18.992 -21.072 -9.163 1.00 0.00 N ATOM 20 CA SER A 3 -18.096 -20.013 -9.611 1.00 0.00 C ATOM 21 C SER A 3 -18.410 -19.607 -11.048 1.00 0.00 C ATOM 22 O SER A 3 -19.241 -20.226 -11.712 1.00 0.00 O ATOM 23 CB SER A 3 -16.640 -20.468 -9.504 1.00 0.00 C ATOM 24 OG SER A 3 -16.352 -21.482 -10.452 1.00 0.00 O ATOM 0 H SER A 3 -18.523 -21.860 -8.717 1.00 0.00 H new ATOM 0 HA SER A 3 -18.246 -19.147 -8.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.977 -19.618 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.445 -20.840 -8.498 1.00 0.00 H new ATOM 0 HG SER A 3 -15.415 -21.755 -10.365 1.00 0.00 H new ATOM 30 N GLY A 4 -17.738 -18.562 -11.522 1.00 0.00 N ATOM 31 CA GLY A 4 -17.959 -18.091 -12.877 1.00 0.00 C ATOM 32 C GLY A 4 -17.823 -16.586 -12.996 1.00 0.00 C ATOM 33 O GLY A 4 -18.651 -15.838 -12.476 1.00 0.00 O ATOM 0 H GLY A 4 -17.045 -18.034 -10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.245 -18.571 -13.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.955 -18.390 -13.205 1.00 0.00 H new ATOM 37 N SER A 5 -16.776 -16.141 -13.683 1.00 0.00 N ATOM 38 CA SER A 5 -16.531 -14.715 -13.865 1.00 0.00 C ATOM 39 C SER A 5 -16.120 -14.413 -15.302 1.00 0.00 C ATOM 40 O SER A 5 -15.493 -15.238 -15.966 1.00 0.00 O ATOM 41 CB SER A 5 -15.445 -14.235 -12.900 1.00 0.00 C ATOM 42 OG SER A 5 -15.954 -14.101 -11.584 1.00 0.00 O ATOM 0 H SER A 5 -16.084 -16.747 -14.123 1.00 0.00 H new ATOM 0 HA SER A 5 -17.458 -14.183 -13.651 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.615 -14.941 -12.902 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.050 -13.278 -13.240 1.00 0.00 H new ATOM 0 HG SER A 5 -15.240 -13.795 -10.987 1.00 0.00 H new ATOM 48 N SER A 6 -16.479 -13.224 -15.777 1.00 0.00 N ATOM 49 CA SER A 6 -16.152 -12.813 -17.137 1.00 0.00 C ATOM 50 C SER A 6 -15.133 -11.678 -17.131 1.00 0.00 C ATOM 51 O SER A 6 -15.413 -10.580 -16.653 1.00 0.00 O ATOM 52 CB SER A 6 -17.416 -12.375 -17.878 1.00 0.00 C ATOM 53 OG SER A 6 -17.847 -11.097 -17.440 1.00 0.00 O ATOM 0 H SER A 6 -16.997 -12.529 -15.239 1.00 0.00 H new ATOM 0 HA SER A 6 -15.715 -13.668 -17.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.222 -12.349 -18.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.209 -13.105 -17.715 1.00 0.00 H new ATOM 0 HG SER A 6 -17.191 -10.728 -16.812 1.00 0.00 H new ATOM 59 N GLY A 7 -13.947 -11.953 -17.667 1.00 0.00 N ATOM 60 CA GLY A 7 -12.903 -10.946 -17.714 1.00 0.00 C ATOM 61 C GLY A 7 -11.827 -11.178 -16.671 1.00 0.00 C ATOM 62 O GLY A 7 -10.635 -11.072 -16.963 1.00 0.00 O ATOM 0 H GLY A 7 -13.691 -12.855 -18.069 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.449 -10.943 -18.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.345 -9.961 -17.563 1.00 0.00 H new ATOM 66 N THR A 8 -12.247 -11.493 -15.449 1.00 0.00 N ATOM 67 CA THR A 8 -11.311 -11.737 -14.359 1.00 0.00 C ATOM 68 C THR A 8 -11.021 -13.226 -14.207 1.00 0.00 C ATOM 69 O THR A 8 -11.933 -14.052 -14.235 1.00 0.00 O ATOM 70 CB THR A 8 -11.851 -11.192 -13.023 1.00 0.00 C ATOM 71 OG1 THR A 8 -13.181 -11.672 -12.800 1.00 0.00 O ATOM 72 CG2 THR A 8 -11.848 -9.670 -13.019 1.00 0.00 C ATOM 0 H THR A 8 -13.229 -11.585 -15.190 1.00 0.00 H new ATOM 0 HA THR A 8 -10.389 -11.214 -14.611 1.00 0.00 H new ATOM 0 HB THR A 8 -11.200 -11.543 -12.223 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.516 -11.323 -11.948 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.233 -9.308 -12.066 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.830 -9.308 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.479 -9.303 -13.828 1.00 0.00 H new ATOM 80 N ASP A 9 -9.746 -13.561 -14.045 1.00 0.00 N ATOM 81 CA ASP A 9 -9.335 -14.952 -13.886 1.00 0.00 C ATOM 82 C ASP A 9 -10.129 -15.629 -12.773 1.00 0.00 C ATOM 83 O ASP A 9 -10.496 -15.010 -11.774 1.00 0.00 O ATOM 84 CB ASP A 9 -7.838 -15.032 -13.584 1.00 0.00 C ATOM 85 CG ASP A 9 -7.041 -13.975 -14.321 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.675 -14.216 -15.490 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.782 -12.906 -13.729 1.00 0.00 O ATOM 0 H ASP A 9 -8.979 -12.889 -14.020 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.537 -15.475 -14.821 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.680 -14.919 -12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.467 -16.020 -13.859 1.00 0.00 H new ATOM 92 N PRO A 10 -10.401 -16.930 -12.947 1.00 0.00 N ATOM 93 CA PRO A 10 -11.154 -17.720 -11.968 1.00 0.00 C ATOM 94 C PRO A 10 -10.366 -17.956 -10.684 1.00 0.00 C ATOM 95 O PRO A 10 -9.185 -17.621 -10.599 1.00 0.00 O ATOM 96 CB PRO A 10 -11.402 -19.044 -12.695 1.00 0.00 C ATOM 97 CG PRO A 10 -10.297 -19.143 -13.689 1.00 0.00 C ATOM 98 CD PRO A 10 -9.994 -17.732 -14.113 1.00 0.00 C ATOM 0 HA PRO A 10 -12.067 -17.215 -11.652 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.387 -19.885 -12.002 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.376 -19.051 -13.184 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.418 -19.616 -13.250 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.594 -19.752 -14.543 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.937 -17.600 -14.342 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.551 -17.453 -15.007 1.00 0.00 H new ATOM 106 N GLY A 11 -11.027 -18.536 -9.687 1.00 0.00 N ATOM 107 CA GLY A 11 -10.372 -18.808 -8.421 1.00 0.00 C ATOM 108 C GLY A 11 -11.358 -18.974 -7.282 1.00 0.00 C ATOM 109 O GLY A 11 -12.558 -19.127 -7.508 1.00 0.00 O ATOM 0 H GLY A 11 -12.005 -18.822 -9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.772 -19.713 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.686 -17.994 -8.188 1.00 0.00 H new ATOM 113 N ALA A 12 -10.851 -18.945 -6.054 1.00 0.00 N ATOM 114 CA ALA A 12 -11.695 -19.093 -4.875 1.00 0.00 C ATOM 115 C ALA A 12 -11.789 -17.783 -4.099 1.00 0.00 C ATOM 116 O ALA A 12 -11.148 -16.795 -4.453 1.00 0.00 O ATOM 117 CB ALA A 12 -11.162 -20.202 -3.980 1.00 0.00 C ATOM 0 H ALA A 12 -9.859 -18.820 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.698 -19.360 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.802 -20.301 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.153 -21.142 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.148 -19.958 -3.663 1.00 0.00 H new ATOM 123 N GLU A 13 -12.593 -17.784 -3.041 1.00 0.00 N ATOM 124 CA GLU A 13 -12.772 -16.595 -2.217 1.00 0.00 C ATOM 125 C GLU A 13 -11.431 -15.923 -1.933 1.00 0.00 C ATOM 126 O GLU A 13 -10.396 -16.585 -1.867 1.00 0.00 O ATOM 127 CB GLU A 13 -13.461 -16.958 -0.900 1.00 0.00 C ATOM 128 CG GLU A 13 -12.568 -17.721 0.064 1.00 0.00 C ATOM 129 CD GLU A 13 -12.936 -17.480 1.515 1.00 0.00 C ATOM 130 OE1 GLU A 13 -12.790 -16.330 1.980 1.00 0.00 O ATOM 131 OE2 GLU A 13 -13.369 -18.440 2.186 1.00 0.00 O ATOM 0 H GLU A 13 -13.131 -18.595 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.401 -15.895 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.806 -16.044 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.345 -17.558 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.635 -18.787 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.531 -17.427 -0.098 1.00 0.00 H new ATOM 138 N GLU A 14 -11.460 -14.605 -1.767 1.00 0.00 N ATOM 139 CA GLU A 14 -10.247 -13.843 -1.493 1.00 0.00 C ATOM 140 C GLU A 14 -10.287 -13.243 -0.091 1.00 0.00 C ATOM 141 O GLU A 14 -11.355 -13.101 0.506 1.00 0.00 O ATOM 142 CB GLU A 14 -10.069 -12.733 -2.530 1.00 0.00 C ATOM 143 CG GLU A 14 -9.445 -13.209 -3.831 1.00 0.00 C ATOM 144 CD GLU A 14 -7.940 -13.370 -3.731 1.00 0.00 C ATOM 145 OE1 GLU A 14 -7.225 -12.356 -3.876 1.00 0.00 O ATOM 146 OE2 GLU A 14 -7.478 -14.509 -3.510 1.00 0.00 O ATOM 0 H GLU A 14 -12.309 -14.043 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.399 -14.525 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.041 -12.289 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.446 -11.946 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.891 -14.162 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.679 -12.498 -4.623 1.00 0.00 H new ATOM 153 N LEU A 15 -9.117 -12.891 0.430 1.00 0.00 N ATOM 154 CA LEU A 15 -9.017 -12.306 1.762 1.00 0.00 C ATOM 155 C LEU A 15 -9.253 -10.800 1.715 1.00 0.00 C ATOM 156 O LEU A 15 -8.864 -10.115 0.768 1.00 0.00 O ATOM 157 CB LEU A 15 -7.642 -12.599 2.368 1.00 0.00 C ATOM 158 CG LEU A 15 -7.304 -14.074 2.583 1.00 0.00 C ATOM 159 CD1 LEU A 15 -5.871 -14.229 3.066 1.00 0.00 C ATOM 160 CD2 LEU A 15 -8.273 -14.705 3.572 1.00 0.00 C ATOM 0 H LEU A 15 -8.224 -13.001 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.787 -12.757 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.881 -12.163 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.574 -12.088 3.328 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.402 -14.591 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.649 -15.286 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.190 -13.815 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.745 -13.697 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.017 -15.755 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.208 -14.185 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.289 -14.628 3.185 1.00 0.00 H new ATOM 172 N PRO A 16 -9.905 -10.270 2.761 1.00 0.00 N ATOM 173 CA PRO A 16 -10.206 -8.839 2.863 1.00 0.00 C ATOM 174 C PRO A 16 -8.954 -7.998 3.091 1.00 0.00 C ATOM 175 O PRO A 16 -8.210 -8.222 4.046 1.00 0.00 O ATOM 176 CB PRO A 16 -11.134 -8.757 4.078 1.00 0.00 C ATOM 177 CG PRO A 16 -10.787 -9.951 4.900 1.00 0.00 C ATOM 178 CD PRO A 16 -10.398 -11.026 3.924 1.00 0.00 C ATOM 0 HA PRO A 16 -10.647 -8.449 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.977 -7.833 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.182 -8.774 3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.968 -9.729 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.634 -10.265 5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.628 -11.681 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.247 -11.657 3.662 1.00 0.00 H new ATOM 186 N ALA A 17 -8.728 -7.030 2.209 1.00 0.00 N ATOM 187 CA ALA A 17 -7.568 -6.154 2.317 1.00 0.00 C ATOM 188 C ALA A 17 -7.957 -4.795 2.888 1.00 0.00 C ATOM 189 O ALA A 17 -8.496 -3.945 2.180 1.00 0.00 O ATOM 190 CB ALA A 17 -6.904 -5.988 0.958 1.00 0.00 C ATOM 0 H ALA A 17 -9.333 -6.833 1.412 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.857 -6.616 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.039 -5.331 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.581 -6.962 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.615 -5.552 0.256 1.00 0.00 H new ATOM 196 N ARG A 18 -7.680 -4.597 4.173 1.00 0.00 N ATOM 197 CA ARG A 18 -8.004 -3.341 4.839 1.00 0.00 C ATOM 198 C ARG A 18 -7.840 -2.162 3.885 1.00 0.00 C ATOM 199 O ARG A 18 -6.721 -1.783 3.538 1.00 0.00 O ATOM 200 CB ARG A 18 -7.111 -3.146 6.066 1.00 0.00 C ATOM 201 CG ARG A 18 -7.460 -4.065 7.226 1.00 0.00 C ATOM 202 CD ARG A 18 -8.527 -3.454 8.119 1.00 0.00 C ATOM 203 NE ARG A 18 -9.843 -3.464 7.486 1.00 0.00 N ATOM 204 CZ ARG A 18 -10.563 -4.566 7.305 1.00 0.00 C ATOM 205 NH1 ARG A 18 -10.097 -5.740 7.707 1.00 0.00 N ATOM 206 NH2 ARG A 18 -11.752 -4.494 6.720 1.00 0.00 N ATOM 0 H ARG A 18 -7.232 -5.290 4.773 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.045 -3.385 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.073 -3.315 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.186 -2.111 6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.811 -5.022 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.564 -4.267 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.573 -4.005 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.251 -2.429 8.364 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.231 -2.577 7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.183 -5.799 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.652 -6.584 7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.114 -3.592 6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.304 -5.340 6.581 1.00 0.00 H new ATOM 220 N ILE A 19 -8.962 -1.587 3.466 1.00 0.00 N ATOM 221 CA ILE A 19 -8.943 -0.451 2.553 1.00 0.00 C ATOM 222 C ILE A 19 -8.829 0.865 3.315 1.00 0.00 C ATOM 223 O ILE A 19 -9.799 1.338 3.907 1.00 0.00 O ATOM 224 CB ILE A 19 -10.206 -0.414 1.673 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.501 -1.805 1.107 1.00 0.00 C ATOM 226 CG2 ILE A 19 -10.040 0.597 0.549 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.439 -2.307 0.155 1.00 0.00 C ATOM 0 H ILE A 19 -9.896 -1.889 3.744 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.069 -0.575 1.914 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.051 -0.106 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.601 -2.510 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.460 -1.782 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.941 0.611 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.874 1.588 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.186 0.318 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.714 -3.298 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.355 -1.623 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.482 -2.363 0.674 1.00 0.00 H new ATOM 239 N PHE A 20 -7.637 1.453 3.295 1.00 0.00 N ATOM 240 CA PHE A 20 -7.396 2.715 3.983 1.00 0.00 C ATOM 241 C PHE A 20 -7.142 3.840 2.984 1.00 0.00 C ATOM 242 O PHE A 20 -6.417 3.664 2.004 1.00 0.00 O ATOM 243 CB PHE A 20 -6.203 2.583 4.933 1.00 0.00 C ATOM 244 CG PHE A 20 -6.568 2.025 6.279 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.332 0.874 6.382 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.147 2.652 7.441 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.669 0.357 7.619 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.481 2.140 8.680 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.244 0.992 8.770 1.00 0.00 C ATOM 0 H PHE A 20 -6.823 1.075 2.810 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.287 2.960 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.452 1.940 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.745 3.563 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.668 0.375 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.551 3.551 7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.264 -0.542 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.146 2.637 9.578 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.508 0.592 9.738 1.00 0.00 H new ATOM 259 N VAL A 21 -7.745 4.997 3.238 1.00 0.00 N ATOM 260 CA VAL A 21 -7.585 6.151 2.362 1.00 0.00 C ATOM 261 C VAL A 21 -6.607 7.159 2.954 1.00 0.00 C ATOM 262 O VAL A 21 -6.631 7.432 4.154 1.00 0.00 O ATOM 263 CB VAL A 21 -8.933 6.851 2.104 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.277 7.787 3.253 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.896 7.606 0.783 1.00 0.00 C ATOM 0 H VAL A 21 -8.349 5.160 4.044 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.190 5.778 1.417 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.712 6.091 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.232 8.273 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.347 7.216 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.499 8.544 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.856 8.095 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.107 8.357 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.698 6.907 -0.030 1.00 0.00 H new ATOM 275 N ALA A 22 -5.747 7.711 2.104 1.00 0.00 N ATOM 276 CA ALA A 22 -4.761 8.691 2.543 1.00 0.00 C ATOM 277 C ALA A 22 -5.422 10.026 2.868 1.00 0.00 C ATOM 278 O ALA A 22 -6.183 10.566 2.063 1.00 0.00 O ATOM 279 CB ALA A 22 -3.690 8.875 1.478 1.00 0.00 C ATOM 0 H ALA A 22 -5.713 7.496 1.107 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.292 8.316 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.960 9.609 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.190 7.924 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.152 9.224 0.554 1.00 0.00 H new ATOM 285 N LEU A 23 -5.127 10.554 4.050 1.00 0.00 N ATOM 286 CA LEU A 23 -5.694 11.828 4.482 1.00 0.00 C ATOM 287 C LEU A 23 -4.795 12.990 4.073 1.00 0.00 C ATOM 288 O LEU A 23 -5.260 14.117 3.900 1.00 0.00 O ATOM 289 CB LEU A 23 -5.893 11.831 5.999 1.00 0.00 C ATOM 290 CG LEU A 23 -6.804 10.738 6.559 1.00 0.00 C ATOM 291 CD1 LEU A 23 -7.036 10.947 8.047 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.128 10.711 5.809 1.00 0.00 C ATOM 0 H LEU A 23 -4.499 10.121 4.727 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.661 11.952 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.916 11.740 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.300 12.799 6.290 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.312 9.775 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.687 10.160 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.081 10.915 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.507 11.917 8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.764 9.927 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.626 11.675 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.944 10.512 4.753 1.00 0.00 H new ATOM 304 N PHE A 24 -3.506 12.708 3.918 1.00 0.00 N ATOM 305 CA PHE A 24 -2.541 13.730 3.528 1.00 0.00 C ATOM 306 C PHE A 24 -1.331 13.102 2.842 1.00 0.00 C ATOM 307 O PHE A 24 -0.754 12.136 3.341 1.00 0.00 O ATOM 308 CB PHE A 24 -2.090 14.530 4.752 1.00 0.00 C ATOM 309 CG PHE A 24 -3.172 14.718 5.777 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.400 13.756 6.747 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.960 15.858 5.771 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.395 13.926 7.691 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.957 16.034 6.712 1.00 0.00 C ATOM 314 CZ PHE A 24 -5.174 15.067 7.674 1.00 0.00 C ATOM 0 H PHE A 24 -3.105 11.780 4.056 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.028 14.403 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.245 14.022 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.735 15.508 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.793 12.863 6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.793 16.618 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.563 13.168 8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.565 16.926 6.695 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.951 15.202 8.412 1.00 0.00 H new ATOM 324 N ASP A 25 -0.954 13.658 1.696 1.00 0.00 N ATOM 325 CA ASP A 25 0.188 13.155 0.941 1.00 0.00 C ATOM 326 C ASP A 25 1.328 12.764 1.876 1.00 0.00 C ATOM 327 O ASP A 25 1.378 13.200 3.027 1.00 0.00 O ATOM 328 CB ASP A 25 0.669 14.207 -0.059 1.00 0.00 C ATOM 329 CG ASP A 25 0.622 15.611 0.510 1.00 0.00 C ATOM 330 OD1 ASP A 25 -0.480 16.197 0.551 1.00 0.00 O ATOM 331 OD2 ASP A 25 1.687 16.124 0.914 1.00 0.00 O ATOM 0 H ASP A 25 -1.422 14.457 1.269 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.131 12.267 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.690 13.975 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.051 14.161 -0.956 1.00 0.00 H new ATOM 336 N TYR A 26 2.241 11.940 1.375 1.00 0.00 N ATOM 337 CA TYR A 26 3.379 11.488 2.167 1.00 0.00 C ATOM 338 C TYR A 26 4.549 11.101 1.267 1.00 0.00 C ATOM 339 O TYR A 26 4.465 10.143 0.498 1.00 0.00 O ATOM 340 CB TYR A 26 2.979 10.298 3.041 1.00 0.00 C ATOM 341 CG TYR A 26 4.155 9.493 3.545 1.00 0.00 C ATOM 342 CD1 TYR A 26 5.254 10.118 4.122 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.168 8.108 3.445 1.00 0.00 C ATOM 344 CE1 TYR A 26 6.331 9.387 4.582 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.241 7.368 3.904 1.00 0.00 C ATOM 346 CZ TYR A 26 6.320 8.012 4.471 1.00 0.00 C ATOM 347 OH TYR A 26 7.391 7.280 4.931 1.00 0.00 O ATOM 0 H TYR A 26 2.216 11.571 0.424 1.00 0.00 H new ATOM 0 HA TYR A 26 3.693 12.312 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.406 10.661 3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.320 9.644 2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.266 11.194 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.325 7.600 3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.178 9.889 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.234 6.291 3.819 1.00 0.00 H new ATOM 0 HH TYR A 26 7.325 7.179 5.904 1.00 0.00 H new ATOM 357 N ASP A 27 5.640 11.852 1.370 1.00 0.00 N ATOM 358 CA ASP A 27 6.828 11.588 0.568 1.00 0.00 C ATOM 359 C ASP A 27 8.005 11.192 1.454 1.00 0.00 C ATOM 360 O ASP A 27 8.602 12.021 2.143 1.00 0.00 O ATOM 361 CB ASP A 27 7.192 12.819 -0.264 1.00 0.00 C ATOM 362 CG ASP A 27 7.876 12.456 -1.567 1.00 0.00 C ATOM 363 OD1 ASP A 27 7.392 11.532 -2.254 1.00 0.00 O ATOM 364 OD2 ASP A 27 8.895 13.096 -1.900 1.00 0.00 O ATOM 0 H ASP A 27 5.726 12.649 2.001 1.00 0.00 H new ATOM 0 HA ASP A 27 6.606 10.758 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.288 13.389 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.847 13.467 0.319 1.00 0.00 H new ATOM 369 N PRO A 28 8.348 9.896 1.439 1.00 0.00 N ATOM 370 CA PRO A 28 9.455 9.360 2.237 1.00 0.00 C ATOM 371 C PRO A 28 10.815 9.827 1.727 1.00 0.00 C ATOM 372 O PRO A 28 11.846 9.558 2.345 1.00 0.00 O ATOM 373 CB PRO A 28 9.313 7.845 2.070 1.00 0.00 C ATOM 374 CG PRO A 28 8.604 7.673 0.771 1.00 0.00 C ATOM 375 CD PRO A 28 7.681 8.853 0.642 1.00 0.00 C ATOM 0 HA PRO A 28 9.409 9.694 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.287 7.355 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.746 7.407 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.311 7.639 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.046 6.737 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.560 9.157 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.686 8.629 1.026 1.00 0.00 H new ATOM 383 N LEU A 29 10.810 10.526 0.598 1.00 0.00 N ATOM 384 CA LEU A 29 12.044 11.031 0.005 1.00 0.00 C ATOM 385 C LEU A 29 12.342 12.446 0.490 1.00 0.00 C ATOM 386 O LEU A 29 13.499 12.863 0.549 1.00 0.00 O ATOM 387 CB LEU A 29 11.944 11.013 -1.521 1.00 0.00 C ATOM 388 CG LEU A 29 11.162 9.848 -2.129 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.247 9.883 -3.647 1.00 0.00 C ATOM 390 CD2 LEU A 29 11.681 8.521 -1.595 1.00 0.00 C ATOM 0 H LEU A 29 9.966 10.756 0.074 1.00 0.00 H new ATOM 0 HA LEU A 29 12.861 10.380 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.480 11.944 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.954 11.000 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 29 10.115 9.948 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.685 9.047 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.827 10.820 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.290 9.808 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.113 7.703 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.735 8.412 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.568 8.496 -0.511 1.00 0.00 H new ATOM 402 N THR A 30 11.290 13.180 0.840 1.00 0.00 N ATOM 403 CA THR A 30 11.439 14.548 1.321 1.00 0.00 C ATOM 404 C THR A 30 11.008 14.667 2.778 1.00 0.00 C ATOM 405 O THR A 30 11.131 15.730 3.386 1.00 0.00 O ATOM 406 CB THR A 30 10.616 15.535 0.471 1.00 0.00 C ATOM 407 OG1 THR A 30 9.219 15.360 0.733 1.00 0.00 O ATOM 408 CG2 THR A 30 10.889 15.330 -1.011 1.00 0.00 C ATOM 0 H THR A 30 10.326 12.850 0.799 1.00 0.00 H new ATOM 0 HA THR A 30 12.496 14.801 1.235 1.00 0.00 H new ATOM 0 HB THR A 30 10.912 16.549 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.703 15.992 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.297 16.038 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.948 15.492 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.618 14.313 -1.294 1.00 0.00 H new ATOM 416 N MET A 31 10.504 13.570 3.333 1.00 0.00 N ATOM 417 CA MET A 31 10.056 13.553 4.721 1.00 0.00 C ATOM 418 C MET A 31 10.937 12.637 5.565 1.00 0.00 C ATOM 419 O MET A 31 11.592 13.084 6.506 1.00 0.00 O ATOM 420 CB MET A 31 8.598 13.097 4.804 1.00 0.00 C ATOM 421 CG MET A 31 7.628 14.029 4.097 1.00 0.00 C ATOM 422 SD MET A 31 5.983 14.010 4.835 1.00 0.00 S ATOM 423 CE MET A 31 5.077 15.021 3.668 1.00 0.00 C ATOM 0 H MET A 31 10.395 12.682 2.844 1.00 0.00 H new ATOM 0 HA MET A 31 10.134 14.567 5.114 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.512 12.100 4.371 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.311 13.015 5.852 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.022 15.045 4.123 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.555 13.743 3.048 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.009 14.946 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.393 16.060 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.276 14.674 2.654 1.00 0.00 H new ATOM 433 N SER A 32 10.947 11.353 5.222 1.00 0.00 N ATOM 434 CA SER A 32 11.744 10.373 5.951 1.00 0.00 C ATOM 435 C SER A 32 13.136 10.921 6.252 1.00 0.00 C ATOM 436 O SER A 32 13.741 11.628 5.445 1.00 0.00 O ATOM 437 CB SER A 32 11.857 9.076 5.147 1.00 0.00 C ATOM 438 OG SER A 32 12.157 7.978 5.990 1.00 0.00 O ATOM 0 H SER A 32 10.412 10.967 4.444 1.00 0.00 H new ATOM 0 HA SER A 32 11.242 10.164 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.922 8.889 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.634 9.180 4.390 1.00 0.00 H new ATOM 0 HG SER A 32 12.081 7.144 5.481 1.00 0.00 H new ATOM 444 N PRO A 33 13.658 10.588 7.442 1.00 0.00 N ATOM 445 CA PRO A 33 14.984 11.034 7.878 1.00 0.00 C ATOM 446 C PRO A 33 16.108 10.370 7.089 1.00 0.00 C ATOM 447 O PRO A 33 17.252 10.820 7.123 1.00 0.00 O ATOM 448 CB PRO A 33 15.037 10.608 9.347 1.00 0.00 C ATOM 449 CG PRO A 33 14.088 9.463 9.443 1.00 0.00 C ATOM 450 CD PRO A 33 12.993 9.749 8.453 1.00 0.00 C ATOM 0 HA PRO A 33 15.124 12.104 7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.045 10.312 9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.742 11.424 10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.587 8.522 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.687 9.372 10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.596 8.832 8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.156 10.269 8.919 1.00 0.00 H new ATOM 458 N ASN A 34 15.772 9.297 6.380 1.00 0.00 N ATOM 459 CA ASN A 34 16.754 8.571 5.582 1.00 0.00 C ATOM 460 C ASN A 34 16.129 8.052 4.291 1.00 0.00 C ATOM 461 O ASN A 34 15.127 7.337 4.301 1.00 0.00 O ATOM 462 CB ASN A 34 17.333 7.406 6.386 1.00 0.00 C ATOM 463 CG ASN A 34 18.391 6.641 5.615 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.548 6.821 4.408 1.00 0.00 O ATOM 465 ND2 ASN A 34 19.124 5.780 6.312 1.00 0.00 N ATOM 0 H ASN A 34 14.829 8.911 6.342 1.00 0.00 H new ATOM 0 HA ASN A 34 17.558 9.261 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.766 7.786 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.528 6.726 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.851 5.236 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.960 5.663 7.312 1.00 0.00 H new ATOM 472 N PRO A 35 16.735 8.418 3.151 1.00 0.00 N ATOM 473 CA PRO A 35 16.256 8.000 1.831 1.00 0.00 C ATOM 474 C PRO A 35 16.471 6.511 1.581 1.00 0.00 C ATOM 475 O PRO A 35 15.661 5.859 0.922 1.00 0.00 O ATOM 476 CB PRO A 35 17.104 8.832 0.866 1.00 0.00 C ATOM 477 CG PRO A 35 18.348 9.141 1.625 1.00 0.00 C ATOM 478 CD PRO A 35 17.933 9.269 3.065 1.00 0.00 C ATOM 0 HA PRO A 35 15.183 8.155 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.324 8.278 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.585 9.743 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.088 8.350 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.805 10.064 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.717 8.928 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.711 10.303 3.329 1.00 0.00 H new ATOM 486 N ASP A 36 17.566 5.979 2.111 1.00 0.00 N ATOM 487 CA ASP A 36 17.887 4.566 1.947 1.00 0.00 C ATOM 488 C ASP A 36 16.864 3.690 2.663 1.00 0.00 C ATOM 489 O ASP A 36 16.443 2.658 2.141 1.00 0.00 O ATOM 490 CB ASP A 36 19.290 4.274 2.482 1.00 0.00 C ATOM 491 CG ASP A 36 19.561 2.789 2.616 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.305 2.049 1.643 1.00 0.00 O ATOM 493 OD2 ASP A 36 20.027 2.365 3.695 1.00 0.00 O ATOM 0 H ASP A 36 18.247 6.505 2.658 1.00 0.00 H new ATOM 0 HA ASP A 36 17.857 4.333 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 36 20.030 4.717 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.412 4.752 3.454 1.00 0.00 H new ATOM 498 N ALA A 37 16.469 4.109 3.861 1.00 0.00 N ATOM 499 CA ALA A 37 15.494 3.363 4.647 1.00 0.00 C ATOM 500 C ALA A 37 14.070 3.699 4.219 1.00 0.00 C ATOM 501 O ALA A 37 13.118 3.027 4.614 1.00 0.00 O ATOM 502 CB ALA A 37 15.683 3.648 6.130 1.00 0.00 C ATOM 0 H ALA A 37 16.809 4.960 4.308 1.00 0.00 H new ATOM 0 HA ALA A 37 15.657 2.300 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.948 3.085 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.687 3.350 6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.549 4.714 6.316 1.00 0.00 H new ATOM 508 N ALA A 38 13.931 4.744 3.410 1.00 0.00 N ATOM 509 CA ALA A 38 12.623 5.168 2.927 1.00 0.00 C ATOM 510 C ALA A 38 11.954 4.066 2.114 1.00 0.00 C ATOM 511 O ALA A 38 10.728 3.965 2.080 1.00 0.00 O ATOM 512 CB ALA A 38 12.753 6.436 2.095 1.00 0.00 C ATOM 0 H ALA A 38 14.709 5.313 3.075 1.00 0.00 H new ATOM 0 HA ALA A 38 11.994 5.377 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.768 6.741 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.181 7.230 2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.403 6.246 1.241 1.00 0.00 H new ATOM 518 N GLU A 39 12.767 3.243 1.459 1.00 0.00 N ATOM 519 CA GLU A 39 12.252 2.149 0.645 1.00 0.00 C ATOM 520 C GLU A 39 11.197 1.352 1.408 1.00 0.00 C ATOM 521 O GLU A 39 10.167 0.975 0.851 1.00 0.00 O ATOM 522 CB GLU A 39 13.392 1.224 0.213 1.00 0.00 C ATOM 523 CG GLU A 39 14.108 1.686 -1.044 1.00 0.00 C ATOM 524 CD GLU A 39 14.970 0.600 -1.658 1.00 0.00 C ATOM 525 OE1 GLU A 39 14.416 -0.267 -2.367 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.197 0.615 -1.429 1.00 0.00 O ATOM 0 H GLU A 39 13.784 3.313 1.476 1.00 0.00 H new ATOM 0 HA GLU A 39 11.787 2.579 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.115 1.148 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.993 0.223 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.371 2.017 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.731 2.548 -0.806 1.00 0.00 H new ATOM 533 N GLU A 40 11.464 1.100 2.685 1.00 0.00 N ATOM 534 CA GLU A 40 10.539 0.347 3.524 1.00 0.00 C ATOM 535 C GLU A 40 9.190 1.056 3.619 1.00 0.00 C ATOM 536 O GLU A 40 8.154 0.417 3.795 1.00 0.00 O ATOM 537 CB GLU A 40 11.125 0.155 4.924 1.00 0.00 C ATOM 538 CG GLU A 40 12.331 -0.769 4.957 1.00 0.00 C ATOM 539 CD GLU A 40 11.943 -2.234 4.989 1.00 0.00 C ATOM 540 OE1 GLU A 40 10.883 -2.580 4.428 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.701 -3.035 5.577 1.00 0.00 O ATOM 0 H GLU A 40 12.313 1.406 3.161 1.00 0.00 H new ATOM 0 HA GLU A 40 10.386 -0.630 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.411 1.127 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.353 -0.246 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.952 -0.581 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.937 -0.538 5.833 1.00 0.00 H new ATOM 548 N GLU A 41 9.215 2.380 3.501 1.00 0.00 N ATOM 549 CA GLU A 41 7.995 3.175 3.574 1.00 0.00 C ATOM 550 C GLU A 41 7.254 3.160 2.240 1.00 0.00 C ATOM 551 O GLU A 41 7.871 3.121 1.175 1.00 0.00 O ATOM 552 CB GLU A 41 8.322 4.616 3.972 1.00 0.00 C ATOM 553 CG GLU A 41 8.778 4.761 5.414 1.00 0.00 C ATOM 554 CD GLU A 41 9.559 6.038 5.654 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.982 6.670 4.664 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.747 6.405 6.833 1.00 0.00 O ATOM 0 H GLU A 41 10.065 2.924 3.355 1.00 0.00 H new ATOM 0 HA GLU A 41 7.349 2.733 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.102 4.998 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.440 5.237 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.907 4.743 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.397 3.905 5.683 1.00 0.00 H new ATOM 563 N LEU A 42 5.928 3.190 2.307 1.00 0.00 N ATOM 564 CA LEU A 42 5.101 3.180 1.105 1.00 0.00 C ATOM 565 C LEU A 42 4.517 4.562 0.834 1.00 0.00 C ATOM 566 O LEU A 42 3.576 5.006 1.493 1.00 0.00 O ATOM 567 CB LEU A 42 3.974 2.156 1.247 1.00 0.00 C ATOM 568 CG LEU A 42 3.496 1.499 -0.049 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.314 0.582 0.221 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.128 2.558 -1.079 1.00 0.00 C ATOM 0 H LEU A 42 5.402 3.221 3.180 1.00 0.00 H new ATOM 0 HA LEU A 42 5.733 2.902 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.306 1.372 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.122 2.646 1.718 1.00 0.00 H new ATOM 0 HG LEU A 42 4.311 0.897 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.988 0.124 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.611 -0.197 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.494 1.161 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.790 2.073 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.329 3.186 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.001 3.174 -1.295 1.00 0.00 H new ATOM 582 N PRO A 43 5.084 5.260 -0.161 1.00 0.00 N ATOM 583 CA PRO A 43 4.633 6.601 -0.545 1.00 0.00 C ATOM 584 C PRO A 43 3.261 6.584 -1.208 1.00 0.00 C ATOM 585 O PRO A 43 2.904 5.627 -1.896 1.00 0.00 O ATOM 586 CB PRO A 43 5.702 7.064 -1.539 1.00 0.00 C ATOM 587 CG PRO A 43 6.267 5.805 -2.100 1.00 0.00 C ATOM 588 CD PRO A 43 6.209 4.793 -0.989 1.00 0.00 C ATOM 0 HA PRO A 43 4.522 7.256 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.271 7.688 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.471 7.658 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.692 5.470 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.292 5.954 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.037 3.787 -1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.140 4.764 -0.423 1.00 0.00 H new ATOM 596 N PHE A 44 2.494 7.649 -0.999 1.00 0.00 N ATOM 597 CA PHE A 44 1.159 7.756 -1.576 1.00 0.00 C ATOM 598 C PHE A 44 0.669 9.200 -1.549 1.00 0.00 C ATOM 599 O PHE A 44 1.269 10.060 -0.904 1.00 0.00 O ATOM 600 CB PHE A 44 0.179 6.858 -0.818 1.00 0.00 C ATOM 601 CG PHE A 44 0.283 6.984 0.675 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.253 8.081 1.329 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.915 6.004 1.423 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.158 8.200 2.703 1.00 0.00 C ATOM 605 CE2 PHE A 44 1.012 6.117 2.798 1.00 0.00 C ATOM 606 CZ PHE A 44 0.474 7.216 3.438 1.00 0.00 C ATOM 0 H PHE A 44 2.774 8.451 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 44 1.212 7.429 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.838 7.103 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.356 5.820 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.751 8.852 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.337 5.142 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.578 9.061 3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.508 5.347 3.370 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.547 7.306 4.512 1.00 0.00 H new ATOM 616 N LYS A 45 -0.427 9.460 -2.254 1.00 0.00 N ATOM 617 CA LYS A 45 -1.001 10.799 -2.312 1.00 0.00 C ATOM 618 C LYS A 45 -2.346 10.846 -1.595 1.00 0.00 C ATOM 619 O LYS A 45 -2.971 9.812 -1.361 1.00 0.00 O ATOM 620 CB LYS A 45 -1.171 11.242 -3.767 1.00 0.00 C ATOM 621 CG LYS A 45 0.135 11.620 -4.444 1.00 0.00 C ATOM 622 CD LYS A 45 1.053 10.419 -4.596 1.00 0.00 C ATOM 623 CE LYS A 45 2.086 10.643 -5.690 1.00 0.00 C ATOM 624 NZ LYS A 45 2.750 9.372 -6.094 1.00 0.00 N ATOM 0 H LYS A 45 -0.936 8.760 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.317 11.482 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.643 10.437 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.849 12.095 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.073 12.046 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.638 12.392 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.559 10.224 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.461 9.534 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.604 11.093 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.838 11.350 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.447 9.567 -6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.231 8.955 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.036 8.706 -6.452 1.00 0.00 H new ATOM 638 N GLU A 46 -2.787 12.052 -1.250 1.00 0.00 N ATOM 639 CA GLU A 46 -4.059 12.232 -0.561 1.00 0.00 C ATOM 640 C GLU A 46 -5.213 11.692 -1.399 1.00 0.00 C ATOM 641 O GLU A 46 -5.306 11.963 -2.596 1.00 0.00 O ATOM 642 CB GLU A 46 -4.290 13.712 -0.247 1.00 0.00 C ATOM 643 CG GLU A 46 -5.307 13.949 0.856 1.00 0.00 C ATOM 644 CD GLU A 46 -5.499 15.421 1.166 1.00 0.00 C ATOM 645 OE1 GLU A 46 -4.687 15.976 1.935 1.00 0.00 O ATOM 646 OE2 GLU A 46 -6.462 16.017 0.639 1.00 0.00 O ATOM 0 H GLU A 46 -2.282 12.918 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.019 11.672 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.342 14.166 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.624 14.219 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.263 13.516 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.985 13.430 1.759 1.00 0.00 H new ATOM 653 N GLY A 47 -6.092 10.925 -0.762 1.00 0.00 N ATOM 654 CA GLY A 47 -7.229 10.358 -1.463 1.00 0.00 C ATOM 655 C GLY A 47 -6.879 9.076 -2.194 1.00 0.00 C ATOM 656 O GLY A 47 -7.644 8.606 -3.036 1.00 0.00 O ATOM 0 H GLY A 47 -6.037 10.686 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.029 10.159 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.612 11.087 -2.177 1.00 0.00 H new ATOM 660 N GLN A 48 -5.720 8.511 -1.872 1.00 0.00 N ATOM 661 CA GLN A 48 -5.270 7.278 -2.506 1.00 0.00 C ATOM 662 C GLN A 48 -5.723 6.059 -1.708 1.00 0.00 C ATOM 663 O GLN A 48 -5.894 6.131 -0.491 1.00 0.00 O ATOM 664 CB GLN A 48 -3.746 7.276 -2.642 1.00 0.00 C ATOM 665 CG GLN A 48 -3.187 5.978 -3.203 1.00 0.00 C ATOM 666 CD GLN A 48 -1.672 5.934 -3.171 1.00 0.00 C ATOM 667 OE1 GLN A 48 -1.003 6.880 -3.586 1.00 0.00 O ATOM 668 NE2 GLN A 48 -1.122 4.830 -2.677 1.00 0.00 N ATOM 0 H GLN A 48 -5.076 8.887 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.716 7.226 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.446 8.101 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.302 7.460 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.583 5.139 -2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.529 5.853 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.715 4.070 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.107 4.743 -2.631 1.00 0.00 H new ATOM 677 N ILE A 49 -5.916 4.943 -2.402 1.00 0.00 N ATOM 678 CA ILE A 49 -6.348 3.709 -1.758 1.00 0.00 C ATOM 679 C ILE A 49 -5.175 2.756 -1.552 1.00 0.00 C ATOM 680 O ILE A 49 -4.476 2.402 -2.501 1.00 0.00 O ATOM 681 CB ILE A 49 -7.436 2.995 -2.582 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.533 3.983 -2.984 1.00 0.00 C ATOM 683 CG2 ILE A 49 -8.023 1.835 -1.792 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.472 4.336 -1.852 1.00 0.00 C ATOM 0 H ILE A 49 -5.780 4.868 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.762 3.987 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.981 2.597 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.069 4.896 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.110 3.558 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.790 1.341 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.234 1.122 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.466 2.210 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.224 5.040 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.963 3.432 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.906 4.790 -1.038 1.00 0.00 H new ATOM 696 N ILE A 50 -4.968 2.344 -0.306 1.00 0.00 N ATOM 697 CA ILE A 50 -3.881 1.430 0.025 1.00 0.00 C ATOM 698 C ILE A 50 -4.419 0.114 0.576 1.00 0.00 C ATOM 699 O ILE A 50 -5.157 0.095 1.562 1.00 0.00 O ATOM 700 CB ILE A 50 -2.918 2.049 1.054 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.358 3.373 0.530 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.789 1.080 1.374 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.810 4.271 1.617 1.00 0.00 C ATOM 0 H ILE A 50 -5.538 2.628 0.491 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.337 1.239 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.471 2.248 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.567 3.164 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.145 3.904 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.117 1.533 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.205 0.160 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.236 0.852 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.430 5.191 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.603 4.511 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.001 3.759 2.138 1.00 0.00 H new ATOM 715 N LYS A 51 -4.043 -0.988 -0.065 1.00 0.00 N ATOM 716 CA LYS A 51 -4.484 -2.310 0.362 1.00 0.00 C ATOM 717 C LYS A 51 -3.716 -2.768 1.598 1.00 0.00 C ATOM 718 O LYS A 51 -2.688 -3.436 1.490 1.00 0.00 O ATOM 719 CB LYS A 51 -4.298 -3.323 -0.771 1.00 0.00 C ATOM 720 CG LYS A 51 -5.487 -3.408 -1.712 1.00 0.00 C ATOM 721 CD LYS A 51 -5.319 -4.530 -2.723 1.00 0.00 C ATOM 722 CE LYS A 51 -6.285 -4.380 -3.888 1.00 0.00 C ATOM 723 NZ LYS A 51 -5.903 -5.244 -5.039 1.00 0.00 N ATOM 0 H LYS A 51 -3.433 -0.991 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.542 -2.247 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.410 -3.056 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.115 -4.307 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.398 -3.570 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.606 -2.460 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.295 -4.534 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.484 -5.490 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.292 -4.636 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.309 -3.338 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.586 -5.113 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.952 -4.983 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.904 -6.240 -4.741 1.00 0.00 H new ATOM 737 N VAL A 52 -4.223 -2.404 2.772 1.00 0.00 N ATOM 738 CA VAL A 52 -3.586 -2.779 4.028 1.00 0.00 C ATOM 739 C VAL A 52 -3.994 -4.185 4.454 1.00 0.00 C ATOM 740 O VAL A 52 -5.137 -4.597 4.255 1.00 0.00 O ATOM 741 CB VAL A 52 -3.941 -1.790 5.155 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.539 -2.356 6.508 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.275 -0.444 4.911 1.00 0.00 C ATOM 0 H VAL A 52 -5.073 -1.850 2.879 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.510 -2.753 3.857 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.021 -1.640 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.797 -1.644 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.067 -3.294 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.464 -2.537 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.536 0.243 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.193 -0.573 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.618 -0.035 3.960 1.00 0.00 H new ATOM 753 N TYR A 53 -3.053 -4.917 5.040 1.00 0.00 N ATOM 754 CA TYR A 53 -3.314 -6.278 5.492 1.00 0.00 C ATOM 755 C TYR A 53 -2.867 -6.467 6.938 1.00 0.00 C ATOM 756 O TYR A 53 -2.113 -5.659 7.477 1.00 0.00 O ATOM 757 CB TYR A 53 -2.597 -7.284 4.589 1.00 0.00 C ATOM 758 CG TYR A 53 -3.064 -7.247 3.151 1.00 0.00 C ATOM 759 CD1 TYR A 53 -4.202 -7.935 2.752 1.00 0.00 C ATOM 760 CD2 TYR A 53 -2.365 -6.523 2.193 1.00 0.00 C ATOM 761 CE1 TYR A 53 -4.631 -7.905 1.439 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.788 -6.486 0.878 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.921 -7.178 0.506 1.00 0.00 C ATOM 764 OH TYR A 53 -4.346 -7.145 -0.803 1.00 0.00 O ATOM 0 H TYR A 53 -2.102 -4.590 5.213 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.389 -6.452 5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.525 -7.087 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.748 -8.288 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.761 -8.503 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.477 -5.980 2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.517 -8.448 1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.234 -5.918 0.145 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.736 -6.588 -1.331 1.00 0.00 H new ATOM 774 N GLY A 54 -3.340 -7.542 7.561 1.00 0.00 N ATOM 775 CA GLY A 54 -2.979 -7.820 8.939 1.00 0.00 C ATOM 776 C GLY A 54 -3.056 -6.588 9.818 1.00 0.00 C ATOM 777 O GLY A 54 -3.644 -5.577 9.432 1.00 0.00 O ATOM 0 H GLY A 54 -3.967 -8.225 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.642 -8.589 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.967 -8.223 8.972 1.00 0.00 H new ATOM 781 N ASP A 55 -2.462 -6.671 11.003 1.00 0.00 N ATOM 782 CA ASP A 55 -2.466 -5.553 11.941 1.00 0.00 C ATOM 783 C ASP A 55 -1.189 -4.730 11.810 1.00 0.00 C ATOM 784 O ASP A 55 -0.357 -4.987 10.940 1.00 0.00 O ATOM 785 CB ASP A 55 -2.615 -6.063 13.375 1.00 0.00 C ATOM 786 CG ASP A 55 -1.306 -6.566 13.949 1.00 0.00 C ATOM 787 OD1 ASP A 55 -0.873 -7.671 13.560 1.00 0.00 O ATOM 788 OD2 ASP A 55 -0.713 -5.856 14.788 1.00 0.00 O ATOM 0 H ASP A 55 -1.971 -7.500 11.338 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.315 -4.913 11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.000 -5.261 14.005 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.351 -6.867 13.397 1.00 0.00 H new ATOM 793 N LYS A 56 -1.040 -3.737 12.681 1.00 0.00 N ATOM 794 CA LYS A 56 0.136 -2.875 12.665 1.00 0.00 C ATOM 795 C LYS A 56 1.210 -3.402 13.610 1.00 0.00 C ATOM 796 O LYS A 56 0.903 -3.984 14.651 1.00 0.00 O ATOM 797 CB LYS A 56 -0.249 -1.446 13.057 1.00 0.00 C ATOM 798 CG LYS A 56 -1.428 -1.374 14.012 1.00 0.00 C ATOM 799 CD LYS A 56 -1.688 0.051 14.470 1.00 0.00 C ATOM 800 CE LYS A 56 -2.329 0.084 15.849 1.00 0.00 C ATOM 801 NZ LYS A 56 -3.804 -0.111 15.780 1.00 0.00 N ATOM 0 H LYS A 56 -1.719 -3.509 13.407 1.00 0.00 H new ATOM 0 HA LYS A 56 0.540 -2.871 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.611 -0.960 13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.488 -0.883 12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.319 -1.768 13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.235 -2.006 14.879 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.749 0.605 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.338 0.552 13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.889 -0.694 16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.111 1.038 16.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.283 0.727 16.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.090 -0.248 14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.070 -0.949 16.336 1.00 0.00 H new ATOM 815 N ASP A 57 2.470 -3.192 13.243 1.00 0.00 N ATOM 816 CA ASP A 57 3.590 -3.644 14.060 1.00 0.00 C ATOM 817 C ASP A 57 3.841 -2.682 15.217 1.00 0.00 C ATOM 818 O ASP A 57 3.188 -1.645 15.328 1.00 0.00 O ATOM 819 CB ASP A 57 4.852 -3.776 13.206 1.00 0.00 C ATOM 820 CG ASP A 57 5.793 -4.845 13.724 1.00 0.00 C ATOM 821 OD1 ASP A 57 5.308 -5.940 14.078 1.00 0.00 O ATOM 822 OD2 ASP A 57 7.014 -4.587 13.776 1.00 0.00 O ATOM 0 H ASP A 57 2.741 -2.712 12.385 1.00 0.00 H new ATOM 0 HA ASP A 57 3.337 -4.621 14.472 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.570 -4.011 12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.373 -2.819 13.182 1.00 0.00 H new ATOM 827 N ALA A 58 4.792 -3.034 16.076 1.00 0.00 N ATOM 828 CA ALA A 58 5.131 -2.201 17.224 1.00 0.00 C ATOM 829 C ALA A 58 5.356 -0.753 16.804 1.00 0.00 C ATOM 830 O ALA A 58 4.904 0.176 17.474 1.00 0.00 O ATOM 831 CB ALA A 58 6.365 -2.747 17.926 1.00 0.00 C ATOM 0 H ALA A 58 5.341 -3.890 15.999 1.00 0.00 H new ATOM 0 HA ALA A 58 4.291 -2.224 17.919 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.607 -2.115 18.781 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.169 -3.763 18.269 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.205 -2.755 17.232 1.00 0.00 H new ATOM 837 N ASP A 59 6.058 -0.567 15.691 1.00 0.00 N ATOM 838 CA ASP A 59 6.343 0.770 15.182 1.00 0.00 C ATOM 839 C ASP A 59 5.056 1.566 14.995 1.00 0.00 C ATOM 840 O ASP A 59 5.065 2.796 15.028 1.00 0.00 O ATOM 841 CB ASP A 59 7.100 0.682 13.856 1.00 0.00 C ATOM 842 CG ASP A 59 8.235 -0.323 13.902 1.00 0.00 C ATOM 843 OD1 ASP A 59 8.949 -0.365 14.925 1.00 0.00 O ATOM 844 OD2 ASP A 59 8.407 -1.068 12.915 1.00 0.00 O ATOM 0 H ASP A 59 6.440 -1.324 15.125 1.00 0.00 H new ATOM 0 HA ASP A 59 6.965 1.286 15.914 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.406 0.405 13.062 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.499 1.664 13.603 1.00 0.00 H new ATOM 849 N GLY A 60 3.949 0.856 14.798 1.00 0.00 N ATOM 850 CA GLY A 60 2.670 1.513 14.608 1.00 0.00 C ATOM 851 C GLY A 60 2.401 1.849 13.154 1.00 0.00 C ATOM 852 O GLY A 60 1.766 2.859 12.850 1.00 0.00 O ATOM 0 H GLY A 60 3.916 -0.163 14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.875 0.868 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.643 2.428 15.200 1.00 0.00 H new ATOM 856 N PHE A 61 2.887 1.002 12.253 1.00 0.00 N ATOM 857 CA PHE A 61 2.698 1.215 10.823 1.00 0.00 C ATOM 858 C PHE A 61 1.774 0.154 10.232 1.00 0.00 C ATOM 859 O PHE A 61 1.494 -0.864 10.866 1.00 0.00 O ATOM 860 CB PHE A 61 4.046 1.194 10.100 1.00 0.00 C ATOM 861 CG PHE A 61 4.731 2.530 10.071 1.00 0.00 C ATOM 862 CD1 PHE A 61 5.594 2.903 11.089 1.00 0.00 C ATOM 863 CD2 PHE A 61 4.512 3.414 9.026 1.00 0.00 C ATOM 864 CE1 PHE A 61 6.227 4.132 11.065 1.00 0.00 C ATOM 865 CE2 PHE A 61 5.142 4.643 8.997 1.00 0.00 C ATOM 866 CZ PHE A 61 6.000 5.004 10.018 1.00 0.00 C ATOM 0 H PHE A 61 3.415 0.161 12.488 1.00 0.00 H new ATOM 0 HA PHE A 61 2.235 2.192 10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.699 0.470 10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.895 0.850 9.077 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.774 2.226 11.911 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.841 3.139 8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.898 4.410 11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.964 5.322 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.492 5.965 9.998 1.00 0.00 H new ATOM 876 N TYR A 62 1.304 0.399 9.014 1.00 0.00 N ATOM 877 CA TYR A 62 0.410 -0.533 8.338 1.00 0.00 C ATOM 878 C TYR A 62 1.000 -0.983 7.004 1.00 0.00 C ATOM 879 O TYR A 62 1.136 -0.189 6.074 1.00 0.00 O ATOM 880 CB TYR A 62 -0.958 0.113 8.111 1.00 0.00 C ATOM 881 CG TYR A 62 -1.907 -0.055 9.277 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.060 -1.286 9.902 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.650 1.018 9.752 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.926 -1.444 10.966 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.518 0.870 10.817 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.653 -0.363 11.420 1.00 0.00 C ATOM 887 OH TYR A 62 -4.516 -0.516 12.481 1.00 0.00 O ATOM 0 H TYR A 62 1.527 1.235 8.475 1.00 0.00 H new ATOM 0 HA TYR A 62 0.289 -1.409 8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.821 1.176 7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.411 -0.319 7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.492 -2.134 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.548 1.984 9.281 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.034 -2.408 11.440 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.087 1.715 11.175 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.949 0.341 12.676 1.00 0.00 H new ATOM 897 N ARG A 63 1.346 -2.263 6.920 1.00 0.00 N ATOM 898 CA ARG A 63 1.922 -2.820 5.702 1.00 0.00 C ATOM 899 C ARG A 63 0.848 -3.022 4.637 1.00 0.00 C ATOM 900 O ARG A 63 0.126 -4.019 4.650 1.00 0.00 O ATOM 901 CB ARG A 63 2.615 -4.151 6.002 1.00 0.00 C ATOM 902 CG ARG A 63 3.726 -4.492 5.023 1.00 0.00 C ATOM 903 CD ARG A 63 4.063 -5.975 5.058 1.00 0.00 C ATOM 904 NE ARG A 63 3.021 -6.788 4.437 1.00 0.00 N ATOM 905 CZ ARG A 63 3.217 -8.028 4.002 1.00 0.00 C ATOM 906 NH1 ARG A 63 4.410 -8.594 4.121 1.00 0.00 N ATOM 907 NH2 ARG A 63 2.219 -8.704 3.448 1.00 0.00 N ATOM 0 H ARG A 63 1.238 -2.934 7.681 1.00 0.00 H new ATOM 0 HA ARG A 63 2.659 -2.113 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.028 -4.117 7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.873 -4.949 5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.423 -4.210 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.616 -3.910 5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.009 -6.144 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.201 -6.291 6.092 1.00 0.00 H new ATOM 0 HE ARG A 63 2.091 -6.382 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.179 -8.077 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.558 -9.546 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.300 -8.272 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.371 -9.656 3.114 1.00 0.00 H new ATOM 921 N GLY A 64 0.748 -2.069 3.715 1.00 0.00 N ATOM 922 CA GLY A 64 -0.240 -2.161 2.657 1.00 0.00 C ATOM 923 C GLY A 64 0.382 -2.100 1.276 1.00 0.00 C ATOM 924 O GLY A 64 1.574 -1.828 1.137 1.00 0.00 O ATOM 0 H GLY A 64 1.334 -1.235 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.794 -3.094 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.959 -1.349 2.764 1.00 0.00 H new ATOM 928 N GLU A 65 -0.427 -2.356 0.252 1.00 0.00 N ATOM 929 CA GLU A 65 0.054 -2.332 -1.125 1.00 0.00 C ATOM 930 C GLU A 65 -0.704 -1.293 -1.947 1.00 0.00 C ATOM 931 O GLU A 65 -1.891 -1.054 -1.725 1.00 0.00 O ATOM 932 CB GLU A 65 -0.097 -3.713 -1.765 1.00 0.00 C ATOM 933 CG GLU A 65 0.426 -3.784 -3.190 1.00 0.00 C ATOM 934 CD GLU A 65 0.040 -5.072 -3.890 1.00 0.00 C ATOM 935 OE1 GLU A 65 -1.154 -5.437 -3.844 1.00 0.00 O ATOM 936 OE2 GLU A 65 0.931 -5.715 -4.483 1.00 0.00 O ATOM 0 H GLU A 65 -1.417 -2.582 0.350 1.00 0.00 H new ATOM 0 HA GLU A 65 1.109 -2.060 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.432 -4.446 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.150 -3.994 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.040 -2.937 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.512 -3.692 -3.179 1.00 0.00 H new ATOM 943 N THR A 66 -0.008 -0.677 -2.897 1.00 0.00 N ATOM 944 CA THR A 66 -0.612 0.337 -3.752 1.00 0.00 C ATOM 945 C THR A 66 0.234 0.583 -4.996 1.00 0.00 C ATOM 946 O THR A 66 1.463 0.525 -4.943 1.00 0.00 O ATOM 947 CB THR A 66 -0.797 1.668 -2.999 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.388 2.643 -3.866 1.00 0.00 O ATOM 949 CG2 THR A 66 0.535 2.185 -2.478 1.00 0.00 C ATOM 0 H THR A 66 0.975 -0.863 -3.094 1.00 0.00 H new ATOM 0 HA THR A 66 -1.589 -0.042 -4.051 1.00 0.00 H new ATOM 0 HB THR A 66 -1.456 1.491 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.364 2.595 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.379 3.126 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.968 1.453 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.215 2.347 -3.315 1.00 0.00 H new ATOM 957 N CYS A 67 -0.431 0.858 -6.112 1.00 0.00 N ATOM 958 CA CYS A 67 0.261 1.114 -7.371 1.00 0.00 C ATOM 959 C CYS A 67 1.298 0.031 -7.651 1.00 0.00 C ATOM 960 O CYS A 67 2.343 0.296 -8.244 1.00 0.00 O ATOM 961 CB CYS A 67 0.936 2.486 -7.337 1.00 0.00 C ATOM 962 SG CYS A 67 1.479 3.082 -8.955 1.00 0.00 S ATOM 0 H CYS A 67 -1.448 0.910 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.478 1.101 -8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.242 3.210 -6.909 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.798 2.439 -6.671 1.00 0.00 H new ATOM 0 HG CYS A 67 2.213 2.175 -9.528 1.00 0.00 H new ATOM 968 N ALA A 68 1.002 -1.190 -7.218 1.00 0.00 N ATOM 969 CA ALA A 68 1.908 -2.314 -7.422 1.00 0.00 C ATOM 970 C ALA A 68 3.158 -2.174 -6.561 1.00 0.00 C ATOM 971 O ALA A 68 4.235 -2.641 -6.933 1.00 0.00 O ATOM 972 CB ALA A 68 2.286 -2.426 -8.892 1.00 0.00 C ATOM 0 H ALA A 68 0.142 -1.426 -6.724 1.00 0.00 H new ATOM 0 HA ALA A 68 1.392 -3.225 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.963 -3.269 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.387 -2.581 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.780 -1.508 -9.212 1.00 0.00 H new ATOM 978 N ARG A 69 3.009 -1.528 -5.410 1.00 0.00 N ATOM 979 CA ARG A 69 4.127 -1.325 -4.496 1.00 0.00 C ATOM 980 C ARG A 69 3.790 -1.841 -3.101 1.00 0.00 C ATOM 981 O ARG A 69 2.624 -1.881 -2.707 1.00 0.00 O ATOM 982 CB ARG A 69 4.495 0.158 -4.428 1.00 0.00 C ATOM 983 CG ARG A 69 5.847 0.422 -3.785 1.00 0.00 C ATOM 984 CD ARG A 69 6.376 1.801 -4.146 1.00 0.00 C ATOM 985 NE ARG A 69 7.822 1.898 -3.961 1.00 0.00 N ATOM 986 CZ ARG A 69 8.707 1.320 -4.765 1.00 0.00 C ATOM 987 NH1 ARG A 69 8.296 0.607 -5.805 1.00 0.00 N ATOM 988 NH2 ARG A 69 10.006 1.455 -4.530 1.00 0.00 N ATOM 0 H ARG A 69 2.124 -1.136 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 69 4.980 -1.887 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.496 0.570 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.726 0.689 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.759 0.337 -2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.559 -0.338 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.127 2.025 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.881 2.552 -3.531 1.00 0.00 H new ATOM 0 HE ARG A 69 8.171 2.440 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.298 0.502 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.978 0.164 -6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.326 2.003 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.685 1.011 -5.148 1.00 0.00 H new ATOM 1002 N LEU A 70 4.818 -2.237 -2.358 1.00 0.00 N ATOM 1003 CA LEU A 70 4.631 -2.751 -1.005 1.00 0.00 C ATOM 1004 C LEU A 70 5.543 -2.030 -0.018 1.00 0.00 C ATOM 1005 O LEU A 70 6.766 -2.061 -0.150 1.00 0.00 O ATOM 1006 CB LEU A 70 4.908 -4.255 -0.968 1.00 0.00 C ATOM 1007 CG LEU A 70 4.117 -5.058 0.065 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.672 -4.586 0.116 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.184 -6.545 -0.249 1.00 0.00 C ATOM 0 H LEU A 70 5.789 -2.212 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 70 3.596 -2.571 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.700 -4.667 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.971 -4.404 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 70 4.566 -4.894 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.125 -5.169 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.643 -3.532 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.211 -4.719 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.615 -7.100 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.762 -6.728 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.223 -6.874 -0.232 1.00 0.00 H new ATOM 1021 N GLY A 71 4.938 -1.383 0.974 1.00 0.00 N ATOM 1022 CA GLY A 71 5.711 -0.665 1.971 1.00 0.00 C ATOM 1023 C GLY A 71 4.943 -0.457 3.261 1.00 0.00 C ATOM 1024 O GLY A 71 3.975 -1.168 3.537 1.00 0.00 O ATOM 0 H GLY A 71 3.927 -1.343 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.627 -1.216 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.007 0.303 1.568 1.00 0.00 H new ATOM 1028 N LEU A 72 5.374 0.517 4.054 1.00 0.00 N ATOM 1029 CA LEU A 72 4.720 0.816 5.324 1.00 0.00 C ATOM 1030 C LEU A 72 3.911 2.105 5.229 1.00 0.00 C ATOM 1031 O LEU A 72 4.281 3.030 4.506 1.00 0.00 O ATOM 1032 CB LEU A 72 5.760 0.933 6.439 1.00 0.00 C ATOM 1033 CG LEU A 72 6.563 -0.332 6.745 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.596 -0.060 7.826 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.635 -1.464 7.163 1.00 0.00 C ATOM 0 H LEU A 72 6.173 1.114 3.841 1.00 0.00 H new ATOM 0 HA LEU A 72 4.038 -0.002 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.458 1.727 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.252 1.246 7.351 1.00 0.00 H new ATOM 0 HG LEU A 72 7.088 -0.635 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.158 -0.972 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.279 0.719 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.093 0.268 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.223 -2.356 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.083 -1.171 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.934 -1.676 6.356 1.00 0.00 H new ATOM 1047 N ILE A 73 2.807 2.160 5.967 1.00 0.00 N ATOM 1048 CA ILE A 73 1.948 3.337 5.969 1.00 0.00 C ATOM 1049 C ILE A 73 1.676 3.817 7.391 1.00 0.00 C ATOM 1050 O ILE A 73 1.374 3.033 8.290 1.00 0.00 O ATOM 1051 CB ILE A 73 0.605 3.056 5.269 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.836 2.705 3.797 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.320 4.257 5.394 1.00 0.00 C ATOM 1054 CD1 ILE A 73 1.103 1.235 3.561 1.00 0.00 C ATOM 0 H ILE A 73 2.487 1.403 6.571 1.00 0.00 H new ATOM 0 HA ILE A 73 2.479 4.115 5.420 1.00 0.00 H new ATOM 0 HB ILE A 73 0.130 2.205 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.038 3.005 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.680 3.284 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.265 4.042 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.506 4.465 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.147 5.126 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.257 1.060 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.995 0.934 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.250 0.650 3.905 1.00 0.00 H new ATOM 1066 N PRO A 74 1.784 5.138 7.600 1.00 0.00 N ATOM 1067 CA PRO A 74 1.551 5.753 8.910 1.00 0.00 C ATOM 1068 C PRO A 74 0.083 5.709 9.319 1.00 0.00 C ATOM 1069 O PRO A 74 -0.732 6.489 8.826 1.00 0.00 O ATOM 1070 CB PRO A 74 2.007 7.200 8.708 1.00 0.00 C ATOM 1071 CG PRO A 74 1.853 7.446 7.247 1.00 0.00 C ATOM 1072 CD PRO A 74 2.140 6.132 6.574 1.00 0.00 C ATOM 0 HA PRO A 74 2.083 5.231 9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.400 7.892 9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.041 7.337 9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.846 7.793 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.543 8.218 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.546 6.006 5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.187 6.050 6.282 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.247 4.793 10.222 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.619 4.647 10.697 1.00 0.00 C ATOM 1082 C CYS A 75 -2.176 5.986 11.170 1.00 0.00 C ATOM 1083 O CYS A 75 -3.387 6.152 11.306 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.681 3.625 11.834 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.240 3.634 12.749 1.00 0.00 S ATOM 0 H CYS A 75 0.416 4.140 10.640 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.229 4.293 9.866 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.519 2.629 11.422 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.863 3.819 12.528 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.906 4.713 12.461 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.282 6.938 11.419 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.684 8.262 11.879 1.00 0.00 C ATOM 1093 C ASN A 76 -2.270 9.081 10.733 1.00 0.00 C ATOM 1094 O ASN A 76 -3.262 9.788 10.906 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.489 8.998 12.488 1.00 0.00 C ATOM 1096 CG ASN A 76 0.229 8.168 13.534 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -0.110 8.212 14.717 1.00 0.00 O ATOM 1098 ND2 ASN A 76 1.227 7.406 13.103 1.00 0.00 N ATOM 0 H ASN A 76 -0.275 6.817 11.310 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.452 8.137 12.642 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.211 9.265 11.697 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.831 9.930 12.939 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.747 6.826 13.762 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.474 7.401 12.113 1.00 0.00 H new ATOM 1105 N MET A 77 -1.650 8.979 9.562 1.00 0.00 N ATOM 1106 CA MET A 77 -2.111 9.709 8.387 1.00 0.00 C ATOM 1107 C MET A 77 -3.365 9.065 7.805 1.00 0.00 C ATOM 1108 O MET A 77 -4.460 9.621 7.898 1.00 0.00 O ATOM 1109 CB MET A 77 -1.010 9.757 7.326 1.00 0.00 C ATOM 1110 CG MET A 77 0.332 10.227 7.863 1.00 0.00 C ATOM 1111 SD MET A 77 0.474 12.025 7.902 1.00 0.00 S ATOM 1112 CE MET A 77 1.000 12.359 6.222 1.00 0.00 C ATOM 0 H MET A 77 -0.827 8.398 9.402 1.00 0.00 H new ATOM 0 HA MET A 77 -2.355 10.726 8.694 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.891 8.764 6.893 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.322 10.421 6.520 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.474 9.833 8.869 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.130 9.817 7.244 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.827 13.409 5.988 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.062 12.136 6.122 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.432 11.735 5.532 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.199 7.891 7.205 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.319 7.172 6.609 1.00 0.00 C ATOM 1124 C VAL A 78 -5.473 7.037 7.595 1.00 0.00 C ATOM 1125 O VAL A 78 -5.353 7.410 8.762 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.896 5.768 6.135 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -3.011 5.865 4.901 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.186 5.020 7.253 1.00 0.00 C ATOM 0 H VAL A 78 -2.300 7.417 7.119 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.647 7.755 5.748 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.792 5.209 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.722 4.864 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.559 6.359 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.117 6.442 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.894 4.031 6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.297 5.574 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.857 4.918 8.106 1.00 0.00 H new ATOM 1138 N SER A 79 -6.592 6.499 7.119 1.00 0.00 N ATOM 1139 CA SER A 79 -7.770 6.318 7.958 1.00 0.00 C ATOM 1140 C SER A 79 -8.604 5.135 7.475 1.00 0.00 C ATOM 1141 O SER A 79 -8.679 4.864 6.277 1.00 0.00 O ATOM 1142 CB SER A 79 -8.621 7.589 7.962 1.00 0.00 C ATOM 1143 OG SER A 79 -9.766 7.434 8.782 1.00 0.00 O ATOM 0 H SER A 79 -6.707 6.181 6.157 1.00 0.00 H new ATOM 0 HA SER A 79 -7.433 6.113 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.025 8.428 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.929 7.828 6.944 1.00 0.00 H new ATOM 0 HG SER A 79 -10.292 8.261 8.769 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.230 4.436 8.416 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.058 3.282 8.087 1.00 0.00 C ATOM 1151 C GLU A 80 -11.373 3.721 7.448 1.00 0.00 C ATOM 1152 O GLU A 80 -12.112 4.526 8.015 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.340 2.453 9.342 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.143 1.192 9.071 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.102 0.214 10.229 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -10.323 0.449 11.176 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -11.849 -0.785 10.189 1.00 0.00 O ATOM 0 H GLU A 80 -9.180 4.649 9.412 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.512 2.668 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.393 2.178 9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.880 3.070 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.179 1.463 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.757 0.705 8.175 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.657 3.186 6.265 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.882 3.521 5.550 1.00 0.00 C ATOM 1166 C ILE A 81 -14.077 2.767 6.123 1.00 0.00 C ATOM 1167 O ILE A 81 -14.941 3.356 6.772 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.761 3.204 4.048 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.501 3.850 3.468 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.999 3.683 3.304 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.239 3.476 2.026 1.00 0.00 C ATOM 0 H ILE A 81 -11.055 2.519 5.782 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.038 4.592 5.676 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.682 2.124 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.591 4.934 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.642 3.558 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.898 3.452 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.880 3.181 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.106 4.760 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.331 3.970 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.117 2.396 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.080 3.792 1.409 1.00 0.00 H new ATOM 1183 N GLN A 82 -14.117 1.461 5.879 1.00 0.00 N ATOM 1184 CA GLN A 82 -15.207 0.626 6.372 1.00 0.00 C ATOM 1185 C GLN A 82 -14.730 -0.279 7.504 1.00 0.00 C ATOM 1186 O GLN A 82 -13.655 -0.873 7.425 1.00 0.00 O ATOM 1187 CB GLN A 82 -15.784 -0.220 5.236 1.00 0.00 C ATOM 1188 CG GLN A 82 -16.686 0.561 4.294 1.00 0.00 C ATOM 1189 CD GLN A 82 -17.141 -0.262 3.105 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -16.721 -1.407 2.931 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -18.005 0.317 2.280 1.00 0.00 N ATOM 0 H GLN A 82 -13.409 0.959 5.344 1.00 0.00 H new ATOM 0 HA GLN A 82 -15.987 1.282 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.964 -0.654 4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.349 -1.049 5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.559 0.913 4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -16.155 1.444 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.326 1.268 2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.348 -0.189 1.463 1.00 0.00 H new ATOM 1200 N ALA A 83 -15.536 -0.377 8.556 1.00 0.00 N ATOM 1201 CA ALA A 83 -15.197 -1.211 9.702 1.00 0.00 C ATOM 1202 C ALA A 83 -16.208 -2.338 9.879 1.00 0.00 C ATOM 1203 O ALA A 83 -17.158 -2.460 9.106 1.00 0.00 O ATOM 1204 CB ALA A 83 -15.120 -0.365 10.965 1.00 0.00 C ATOM 0 H ALA A 83 -16.428 0.111 8.638 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.221 -1.660 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.866 -1.000 11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.354 0.401 10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -16.084 0.111 11.144 1.00 0.00 H new ATOM 1210 N ASP A 84 -15.997 -3.161 10.901 1.00 0.00 N ATOM 1211 CA ASP A 84 -16.890 -4.279 11.179 1.00 0.00 C ATOM 1212 C ASP A 84 -17.989 -3.867 12.154 1.00 0.00 C ATOM 1213 O ASP A 84 -18.272 -4.575 13.121 1.00 0.00 O ATOM 1214 CB ASP A 84 -16.102 -5.460 11.749 1.00 0.00 C ATOM 1215 CG ASP A 84 -14.960 -5.883 10.846 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -15.232 -6.286 9.696 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -13.795 -5.813 11.290 1.00 0.00 O ATOM 0 H ASP A 84 -15.215 -3.074 11.550 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.356 -4.582 10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.706 -5.190 12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -16.775 -6.304 11.898 1.00 0.00 H new ATOM 1222 N ASP A 85 -18.603 -2.719 11.894 1.00 0.00 N ATOM 1223 CA ASP A 85 -19.671 -2.212 12.748 1.00 0.00 C ATOM 1224 C ASP A 85 -20.318 -0.975 12.133 1.00 0.00 C ATOM 1225 O ASP A 85 -19.713 -0.293 11.306 1.00 0.00 O ATOM 1226 CB ASP A 85 -19.127 -1.881 14.139 1.00 0.00 C ATOM 1227 CG ASP A 85 -20.161 -1.208 15.020 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -21.229 -1.814 15.250 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -19.902 -0.077 15.480 1.00 0.00 O ATOM 0 H ASP A 85 -18.380 -2.121 11.098 1.00 0.00 H new ATOM 0 HA ASP A 85 -20.430 -2.989 12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -18.785 -2.798 14.620 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -18.258 -1.230 14.041 1.00 0.00 H new ATOM 1234 N GLU A 86 -21.550 -0.692 12.543 1.00 0.00 N ATOM 1235 CA GLU A 86 -22.279 0.463 12.031 1.00 0.00 C ATOM 1236 C GLU A 86 -23.218 1.029 13.092 1.00 0.00 C ATOM 1237 O GLU A 86 -23.480 0.387 14.109 1.00 0.00 O ATOM 1238 CB GLU A 86 -23.076 0.077 10.783 1.00 0.00 C ATOM 1239 CG GLU A 86 -24.071 -1.047 11.019 1.00 0.00 C ATOM 1240 CD GLU A 86 -24.666 -1.579 9.730 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -23.897 -2.087 8.887 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -25.900 -1.488 9.564 1.00 0.00 O ATOM 0 H GLU A 86 -22.064 -1.246 13.228 1.00 0.00 H new ATOM 0 HA GLU A 86 -21.552 1.231 11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -23.611 0.954 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.382 -0.222 9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.576 -1.860 11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -24.873 -0.688 11.664 1.00 0.00 H new ATOM 1249 N GLU A 87 -23.719 2.236 12.848 1.00 0.00 N ATOM 1250 CA GLU A 87 -24.627 2.889 13.783 1.00 0.00 C ATOM 1251 C GLU A 87 -25.656 3.737 13.041 1.00 0.00 C ATOM 1252 O GLU A 87 -25.414 4.185 11.921 1.00 0.00 O ATOM 1253 CB GLU A 87 -23.842 3.763 14.764 1.00 0.00 C ATOM 1254 CG GLU A 87 -23.011 4.840 14.089 1.00 0.00 C ATOM 1255 CD GLU A 87 -22.828 6.068 14.960 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -23.746 6.381 15.745 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -21.764 6.715 14.856 1.00 0.00 O ATOM 0 H GLU A 87 -23.511 2.781 12.011 1.00 0.00 H new ATOM 0 HA GLU A 87 -25.154 2.114 14.339 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -24.540 4.235 15.456 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -23.185 3.128 15.358 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -22.033 4.432 13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -23.490 5.131 13.154 1.00 0.00 H new ATOM 1264 N MET A 88 -26.804 3.951 13.674 1.00 0.00 N ATOM 1265 CA MET A 88 -27.870 4.745 13.074 1.00 0.00 C ATOM 1266 C MET A 88 -27.409 6.179 12.831 1.00 0.00 C ATOM 1267 O MET A 88 -26.507 6.673 13.506 1.00 0.00 O ATOM 1268 CB MET A 88 -29.107 4.741 13.974 1.00 0.00 C ATOM 1269 CG MET A 88 -28.831 5.224 15.389 1.00 0.00 C ATOM 1270 SD MET A 88 -29.956 4.505 16.600 1.00 0.00 S ATOM 1271 CE MET A 88 -29.830 5.699 17.929 1.00 0.00 C ATOM 0 H MET A 88 -27.020 3.586 14.602 1.00 0.00 H new ATOM 0 HA MET A 88 -28.126 4.296 12.114 1.00 0.00 H new ATOM 0 HB2 MET A 88 -29.874 5.373 13.526 1.00 0.00 H new ATOM 0 HB3 MET A 88 -29.512 3.730 14.017 1.00 0.00 H new ATOM 0 HG2 MET A 88 -27.805 4.976 15.660 1.00 0.00 H new ATOM 0 HG3 MET A 88 -28.915 6.310 15.421 1.00 0.00 H new ATOM 0 HE1 MET A 88 -30.471 5.393 18.755 1.00 0.00 H new ATOM 0 HE2 MET A 88 -28.797 5.754 18.272 1.00 0.00 H new ATOM 0 HE3 MET A 88 -30.145 6.678 17.569 1.00 0.00 H new ATOM 1281 N MET A 89 -28.034 6.840 11.862 1.00 0.00 N ATOM 1282 CA MET A 89 -27.687 8.218 11.531 1.00 0.00 C ATOM 1283 C MET A 89 -28.843 9.161 11.849 1.00 0.00 C ATOM 1284 O MET A 89 -29.990 8.895 11.488 1.00 0.00 O ATOM 1285 CB MET A 89 -27.313 8.331 10.052 1.00 0.00 C ATOM 1286 CG MET A 89 -26.434 9.531 9.738 1.00 0.00 C ATOM 1287 SD MET A 89 -24.728 9.303 10.274 1.00 0.00 S ATOM 1288 CE MET A 89 -24.087 8.291 8.943 1.00 0.00 C ATOM 0 H MET A 89 -28.782 6.445 11.293 1.00 0.00 H new ATOM 0 HA MET A 89 -26.829 8.506 12.138 1.00 0.00 H new ATOM 0 HB2 MET A 89 -26.796 7.422 9.746 1.00 0.00 H new ATOM 0 HB3 MET A 89 -28.225 8.394 9.459 1.00 0.00 H new ATOM 0 HG2 MET A 89 -26.451 9.718 8.664 1.00 0.00 H new ATOM 0 HG3 MET A 89 -26.847 10.416 10.222 1.00 0.00 H new ATOM 0 HE1 MET A 89 -23.415 7.536 9.351 1.00 0.00 H new ATOM 0 HE2 MET A 89 -24.913 7.801 8.428 1.00 0.00 H new ATOM 0 HE3 MET A 89 -23.542 8.919 8.238 1.00 0.00 H new ATOM 1298 N ASP A 90 -28.534 10.262 12.525 1.00 0.00 N ATOM 1299 CA ASP A 90 -29.548 11.244 12.890 1.00 0.00 C ATOM 1300 C ASP A 90 -29.232 12.605 12.277 1.00 0.00 C ATOM 1301 O ASP A 90 -29.286 13.630 12.957 1.00 0.00 O ATOM 1302 CB ASP A 90 -29.645 11.367 14.412 1.00 0.00 C ATOM 1303 CG ASP A 90 -28.285 11.358 15.081 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -27.656 12.434 15.163 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -27.848 10.274 15.524 1.00 0.00 O ATOM 0 H ASP A 90 -27.590 10.497 12.831 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.506 10.903 12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -30.166 12.290 14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.244 10.545 14.803 1.00 0.00 H new ATOM 1310 N GLN A 91 -28.901 12.606 10.990 1.00 0.00 N ATOM 1311 CA GLN A 91 -28.574 13.840 10.286 1.00 0.00 C ATOM 1312 C GLN A 91 -29.782 14.770 10.230 1.00 0.00 C ATOM 1313 O GLN A 91 -30.927 14.319 10.253 1.00 0.00 O ATOM 1314 CB GLN A 91 -28.087 13.531 8.870 1.00 0.00 C ATOM 1315 CG GLN A 91 -27.367 14.694 8.207 1.00 0.00 C ATOM 1316 CD GLN A 91 -26.040 15.012 8.867 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -25.744 14.524 9.958 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -25.232 15.834 8.208 1.00 0.00 N ATOM 0 H GLN A 91 -28.852 11.766 10.414 1.00 0.00 H new ATOM 0 HA GLN A 91 -27.777 14.342 10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -27.417 12.672 8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -28.941 13.245 8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -27.199 14.460 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -28.005 15.577 8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -25.518 16.215 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -24.326 16.084 8.604 1.00 0.00 H new ATOM 1327 N SER A 92 -29.518 16.071 10.156 1.00 0.00 N ATOM 1328 CA SER A 92 -30.583 17.065 10.100 1.00 0.00 C ATOM 1329 C SER A 92 -31.568 16.743 8.981 1.00 0.00 C ATOM 1330 O SER A 92 -31.363 17.125 7.829 1.00 0.00 O ATOM 1331 CB SER A 92 -29.995 18.462 9.892 1.00 0.00 C ATOM 1332 OG SER A 92 -30.911 19.466 10.294 1.00 0.00 O ATOM 0 H SER A 92 -28.576 16.461 10.133 1.00 0.00 H new ATOM 0 HA SER A 92 -31.119 17.042 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 92 -29.071 18.559 10.462 1.00 0.00 H new ATOM 0 HB3 SER A 92 -29.738 18.599 8.842 1.00 0.00 H new ATOM 0 HG SER A 92 -30.511 20.349 10.153 1.00 0.00 H new ATOM 1338 N GLY A 93 -32.640 16.038 9.329 1.00 0.00 N ATOM 1339 CA GLY A 93 -33.642 15.676 8.343 1.00 0.00 C ATOM 1340 C GLY A 93 -34.163 16.876 7.578 1.00 0.00 C ATOM 1341 O GLY A 93 -33.691 17.196 6.487 1.00 0.00 O ATOM 0 H GLY A 93 -32.833 15.711 10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -33.215 14.959 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -34.474 15.177 8.841 1.00 0.00 H new ATOM 1345 N PRO A 94 -35.162 17.562 8.154 1.00 0.00 N ATOM 1346 CA PRO A 94 -35.770 18.744 7.535 1.00 0.00 C ATOM 1347 C PRO A 94 -34.825 19.941 7.520 1.00 0.00 C ATOM 1348 O PRO A 94 -33.830 19.968 8.244 1.00 0.00 O ATOM 1349 CB PRO A 94 -36.980 19.029 8.429 1.00 0.00 C ATOM 1350 CG PRO A 94 -36.621 18.443 9.751 1.00 0.00 C ATOM 1351 CD PRO A 94 -35.774 17.237 9.453 1.00 0.00 C ATOM 0 HA PRO A 94 -36.026 18.571 6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -37.170 20.099 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -37.885 18.574 8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -36.075 19.162 10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -37.514 18.164 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -35.020 17.075 10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -36.374 16.328 9.399 1.00 0.00 H new ATOM 1359 N SER A 95 -35.144 20.930 6.691 1.00 0.00 N ATOM 1360 CA SER A 95 -34.321 22.129 6.580 1.00 0.00 C ATOM 1361 C SER A 95 -35.103 23.265 5.927 1.00 0.00 C ATOM 1362 O SER A 95 -36.176 23.052 5.364 1.00 0.00 O ATOM 1363 CB SER A 95 -33.058 21.833 5.769 1.00 0.00 C ATOM 1364 OG SER A 95 -32.027 21.325 6.599 1.00 0.00 O ATOM 0 H SER A 95 -35.966 20.925 6.087 1.00 0.00 H new ATOM 0 HA SER A 95 -34.035 22.438 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 95 -33.286 21.112 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 95 -32.717 22.743 5.276 1.00 0.00 H new ATOM 0 HG SER A 95 -32.421 20.789 7.319 1.00 0.00 H new ATOM 1370 N SER A 96 -34.555 24.474 6.008 1.00 0.00 N ATOM 1371 CA SER A 96 -35.202 25.646 5.429 1.00 0.00 C ATOM 1372 C SER A 96 -34.488 26.086 4.155 1.00 0.00 C ATOM 1373 O SER A 96 -33.377 25.643 3.867 1.00 0.00 O ATOM 1374 CB SER A 96 -35.222 26.795 6.439 1.00 0.00 C ATOM 1375 OG SER A 96 -36.194 27.764 6.089 1.00 0.00 O ATOM 0 H SER A 96 -33.666 24.667 6.468 1.00 0.00 H new ATOM 0 HA SER A 96 -36.227 25.377 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 96 -35.435 26.405 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 96 -34.238 27.262 6.483 1.00 0.00 H new ATOM 0 HG SER A 96 -36.188 28.487 6.751 1.00 0.00 H new ATOM 1381 N GLY A 97 -35.137 26.962 3.393 1.00 0.00 N ATOM 1382 CA GLY A 97 -34.550 27.449 2.158 1.00 0.00 C ATOM 1383 C GLY A 97 -33.084 27.800 2.312 1.00 0.00 C ATOM 1384 O GLY A 97 -32.744 28.848 2.862 1.00 0.00 O ATOM 0 H GLY A 97 -36.058 27.343 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -34.659 26.690 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -35.098 28.329 1.821 1.00 0.00 H new TER 1388 GLY A 97