USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 123 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 79 SER OG : rot -144:sc= -2.68! USER MOD Single : A 81 HIS : no HD1:sc= -4.47! K(o=-4.5!,f=-2.3) USER MOD Single : A 85 SER OG : rot 15:sc= -1.58! USER MOD Single : A 87 MET CE :methyl 159:sc= -0.429 (180deg=-1.38!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 92 TYR OH : rot 160:sc= -1.5! USER MOD Single : A 94 THR OG1 : rot 3:sc= 0.942 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.866 K(o=-0.87,f=-4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -4.52! C(o=-4.5!,f=-4.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 116 CYS SG : rot -86:sc= -5.56! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 161:sc= -0.869 (180deg=-2.47!) USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 45:sc= 0.0111 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -2.28! USER MOD Single : A 144 GLN : amide:sc= -2.94! C(o=-2.9!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 75 -15.131 22.179 -4.269 1.00 0.00 N ATOM 2 CA ALA A 75 -15.742 21.260 -3.317 1.00 0.00 C ATOM 3 C ALA A 75 -14.852 20.046 -3.077 1.00 0.00 C ATOM 4 O ALA A 75 -14.337 19.849 -1.976 1.00 0.00 O ATOM 5 CB ALA A 75 -17.111 20.821 -3.814 1.00 0.00 C ATOM 0 HA ALA A 75 -15.861 21.784 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.557 20.135 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.753 21.694 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.005 20.319 -4.776 1.00 0.00 H new ATOM 11 N ALA A 76 -14.674 19.234 -4.115 1.00 0.00 N ATOM 12 CA ALA A 76 -13.846 18.038 -4.016 1.00 0.00 C ATOM 13 C ALA A 76 -12.379 18.399 -3.806 1.00 0.00 C ATOM 14 O ALA A 76 -11.665 18.711 -4.759 1.00 0.00 O ATOM 15 CB ALA A 76 -14.006 17.182 -5.263 1.00 0.00 C ATOM 0 H ALA A 76 -15.092 19.383 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.180 17.467 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.382 16.292 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.049 16.885 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.701 17.755 -6.139 1.00 0.00 H new ATOM 21 N GLU A 77 -11.937 18.356 -2.554 1.00 0.00 N ATOM 22 CA GLU A 77 -10.554 18.679 -2.220 1.00 0.00 C ATOM 23 C GLU A 77 -9.753 17.412 -1.944 1.00 0.00 C ATOM 24 O GLU A 77 -9.819 16.852 -0.850 1.00 0.00 O ATOM 25 CB GLU A 77 -10.504 19.603 -1.003 1.00 0.00 C ATOM 26 CG GLU A 77 -10.894 21.038 -1.312 1.00 0.00 C ATOM 27 CD GLU A 77 -10.988 21.898 -0.068 1.00 0.00 C ATOM 28 OE1 GLU A 77 -11.682 21.488 0.887 1.00 0.00 O ATOM 29 OE2 GLU A 77 -10.366 22.981 -0.046 1.00 0.00 O ATOM 0 H GLU A 77 -12.516 18.101 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.109 19.190 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.169 19.212 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.496 19.591 -0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.162 21.471 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.854 21.046 -1.828 1.00 0.00 H new ATOM 36 N ILE A 78 -8.998 16.965 -2.943 1.00 0.00 N ATOM 37 CA ILE A 78 -8.183 15.765 -2.815 1.00 0.00 C ATOM 38 C ILE A 78 -9.057 14.522 -2.694 1.00 0.00 C ATOM 39 O ILE A 78 -8.586 13.450 -2.318 1.00 0.00 O ATOM 40 CB ILE A 78 -7.225 15.873 -1.606 1.00 0.00 C ATOM 41 CG1 ILE A 78 -5.843 15.327 -1.976 1.00 0.00 C ATOM 42 CG2 ILE A 78 -7.772 15.155 -0.372 1.00 0.00 C ATOM 43 CD1 ILE A 78 -5.005 14.933 -0.779 1.00 0.00 C ATOM 0 H ILE A 78 -8.935 17.420 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.582 15.673 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.137 16.929 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.966 14.459 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.306 16.081 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.066 15.258 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.727 15.596 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.914 14.098 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.040 14.555 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.850 15.803 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.520 14.156 -0.214 1.00 0.00 H new ATOM 55 N SER A 79 -10.332 14.691 -3.016 1.00 0.00 N ATOM 56 CA SER A 79 -11.299 13.597 -2.951 1.00 0.00 C ATOM 57 C SER A 79 -10.636 12.261 -3.268 1.00 0.00 C ATOM 58 O SER A 79 -10.573 11.845 -4.425 1.00 0.00 O ATOM 59 CB SER A 79 -12.452 13.850 -3.924 1.00 0.00 C ATOM 60 OG SER A 79 -13.128 15.056 -3.614 1.00 0.00 O ATOM 0 H SER A 79 -10.725 15.579 -3.327 1.00 0.00 H new ATOM 0 HA SER A 79 -11.691 13.554 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.068 13.897 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.153 13.017 -3.886 1.00 0.00 H new ATOM 0 HG SER A 79 -14.086 14.948 -3.790 1.00 0.00 H new ATOM 66 N GLY A 80 -10.141 11.594 -2.230 1.00 0.00 N ATOM 67 CA GLY A 80 -9.488 10.312 -2.413 1.00 0.00 C ATOM 68 C GLY A 80 -8.838 9.811 -1.138 1.00 0.00 C ATOM 69 O GLY A 80 -9.266 10.160 -0.039 1.00 0.00 O ATOM 0 H GLY A 80 -10.181 11.920 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.219 9.580 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.732 10.400 -3.194 1.00 0.00 H new ATOM 73 N HIS A 81 -7.800 8.994 -1.284 1.00 0.00 N ATOM 74 CA HIS A 81 -7.092 8.449 -0.132 1.00 0.00 C ATOM 75 C HIS A 81 -5.895 7.615 -0.571 1.00 0.00 C ATOM 76 O HIS A 81 -5.949 6.386 -0.570 1.00 0.00 O ATOM 77 CB HIS A 81 -8.035 7.595 0.718 1.00 0.00 C ATOM 78 CG HIS A 81 -7.362 6.942 1.886 1.00 0.00 C ATOM 79 ND1 HIS A 81 -7.452 7.427 3.173 1.00 0.00 N ATOM 80 CD2 HIS A 81 -6.582 5.836 1.956 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.757 6.650 3.985 1.00 0.00 C ATOM 82 NE2 HIS A 81 -6.220 5.677 3.272 1.00 0.00 N ATOM 0 H HIS A 81 -7.431 8.695 -2.187 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.730 9.286 0.466 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.850 8.221 1.082 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.481 6.825 0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.298 5.199 1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.647 6.787 5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.632 4.929 3.639 1.00 0.00 H new ATOM 91 N ILE A 82 -4.813 8.289 -0.943 1.00 0.00 N ATOM 92 CA ILE A 82 -3.606 7.604 -1.381 1.00 0.00 C ATOM 93 C ILE A 82 -2.611 7.464 -0.238 1.00 0.00 C ATOM 94 O ILE A 82 -2.447 8.373 0.574 1.00 0.00 O ATOM 95 CB ILE A 82 -2.931 8.338 -2.552 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.969 8.701 -3.609 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.834 7.476 -3.156 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.390 9.423 -4.806 1.00 0.00 C ATOM 0 H ILE A 82 -4.748 9.307 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.911 6.613 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.478 9.256 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.463 7.791 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.735 9.328 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.366 8.009 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.084 7.256 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.264 6.544 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.187 9.649 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.921 10.351 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.645 8.790 -5.287 1.00 0.00 H new ATOM 110 N VAL A 83 -1.952 6.316 -0.183 1.00 0.00 N ATOM 111 CA VAL A 83 -0.971 6.050 0.859 1.00 0.00 C ATOM 112 C VAL A 83 0.428 6.459 0.413 1.00 0.00 C ATOM 113 O VAL A 83 1.382 5.691 0.544 1.00 0.00 O ATOM 114 CB VAL A 83 -0.960 4.563 1.259 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.460 4.397 2.686 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.345 3.956 1.098 1.00 0.00 C ATOM 0 H VAL A 83 -2.079 5.553 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.261 6.645 1.725 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.277 4.033 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.459 3.340 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.553 4.791 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.115 4.941 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.317 2.905 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.052 4.488 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.660 4.040 0.058 1.00 0.00 H new ATOM 126 N ARG A 84 0.541 7.672 -0.116 1.00 0.00 N ATOM 127 CA ARG A 84 1.820 8.189 -0.584 1.00 0.00 C ATOM 128 C ARG A 84 2.959 7.704 0.305 1.00 0.00 C ATOM 129 O ARG A 84 2.889 7.804 1.530 1.00 0.00 O ATOM 130 CB ARG A 84 1.796 9.718 -0.613 1.00 0.00 C ATOM 131 CG ARG A 84 0.941 10.333 0.484 1.00 0.00 C ATOM 132 CD ARG A 84 1.190 11.826 0.615 1.00 0.00 C ATOM 133 NE ARG A 84 0.678 12.358 1.874 1.00 0.00 N ATOM 134 CZ ARG A 84 -0.596 12.679 2.076 1.00 0.00 C ATOM 135 NH1 ARG A 84 -1.483 12.522 1.103 1.00 0.00 N ATOM 136 NH2 ARG A 84 -0.984 13.156 3.250 1.00 0.00 N ATOM 0 H ARG A 84 -0.241 8.317 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 84 1.987 7.816 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.816 10.091 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.423 10.049 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.113 10.157 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.157 9.843 1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.260 12.022 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.717 12.347 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 84 1.335 12.491 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.188 12.155 0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.460 12.769 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.304 13.278 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.962 13.402 3.403 1.00 0.00 H new ATOM 150 N SER A 85 4.007 7.178 -0.321 1.00 0.00 N ATOM 151 CA SER A 85 5.163 6.676 0.412 1.00 0.00 C ATOM 152 C SER A 85 5.440 7.527 1.647 1.00 0.00 C ATOM 153 O SER A 85 6.126 8.546 1.571 1.00 0.00 O ATOM 154 CB SER A 85 6.394 6.656 -0.495 1.00 0.00 C ATOM 155 OG SER A 85 7.565 6.350 0.243 1.00 0.00 O ATOM 0 H SER A 85 4.079 7.088 -1.334 1.00 0.00 H new ATOM 0 HA SER A 85 4.942 5.660 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.255 5.919 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.509 7.626 -0.980 1.00 0.00 H new ATOM 0 HG SER A 85 7.315 5.989 1.119 1.00 0.00 H new ATOM 161 N PRO A 86 4.908 7.112 2.806 1.00 0.00 N ATOM 162 CA PRO A 86 5.097 7.835 4.067 1.00 0.00 C ATOM 163 C PRO A 86 6.572 8.071 4.376 1.00 0.00 C ATOM 164 O PRO A 86 6.924 9.008 5.093 1.00 0.00 O ATOM 165 CB PRO A 86 4.474 6.905 5.112 1.00 0.00 C ATOM 166 CG PRO A 86 3.496 6.078 4.352 1.00 0.00 C ATOM 167 CD PRO A 86 4.081 5.906 2.978 1.00 0.00 C ATOM 0 HA PRO A 86 4.645 8.827 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.231 6.283 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.982 7.472 5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.342 5.113 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.524 6.569 4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.677 4.996 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.304 5.839 2.216 1.00 0.00 H new ATOM 175 N MET A 87 7.428 7.216 3.828 1.00 0.00 N ATOM 176 CA MET A 87 8.866 7.330 4.042 1.00 0.00 C ATOM 177 C MET A 87 9.635 6.644 2.917 1.00 0.00 C ATOM 178 O MET A 87 9.041 6.036 2.026 1.00 0.00 O ATOM 179 CB MET A 87 9.254 6.719 5.390 1.00 0.00 C ATOM 180 CG MET A 87 9.231 5.199 5.401 1.00 0.00 C ATOM 181 SD MET A 87 9.472 4.512 7.051 1.00 0.00 S ATOM 182 CE MET A 87 8.167 5.339 7.957 1.00 0.00 C ATOM 0 H MET A 87 7.151 6.436 3.232 1.00 0.00 H new ATOM 0 HA MET A 87 9.127 8.388 4.046 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.253 7.060 5.660 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.573 7.089 6.156 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.278 4.851 5.003 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.010 4.823 4.738 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.937 4.774 8.860 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.493 6.343 8.230 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.276 5.404 7.333 1.00 0.00 H new ATOM 192 N VAL A 88 10.958 6.746 2.963 1.00 0.00 N ATOM 193 CA VAL A 88 11.806 6.136 1.946 1.00 0.00 C ATOM 194 C VAL A 88 11.831 4.617 2.088 1.00 0.00 C ATOM 195 O VAL A 88 12.716 4.060 2.737 1.00 0.00 O ATOM 196 CB VAL A 88 13.248 6.669 2.022 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.152 5.910 1.064 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.284 8.162 1.731 1.00 0.00 C ATOM 0 H VAL A 88 11.466 7.245 3.693 1.00 0.00 H new ATOM 0 HA VAL A 88 11.378 6.402 0.979 1.00 0.00 H new ATOM 0 HB VAL A 88 13.618 6.511 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.167 6.302 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.153 4.852 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.785 6.031 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.312 8.519 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 88 12.892 8.347 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.674 8.690 2.464 1.00 0.00 H new ATOM 208 N GLY A 89 10.852 3.952 1.480 1.00 0.00 N ATOM 209 CA GLY A 89 10.782 2.504 1.553 1.00 0.00 C ATOM 210 C GLY A 89 10.424 1.871 0.223 1.00 0.00 C ATOM 211 O GLY A 89 10.734 2.419 -0.834 1.00 0.00 O ATOM 0 H GLY A 89 10.107 4.390 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.742 2.114 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.041 2.217 2.299 1.00 0.00 H new ATOM 215 N THR A 90 9.769 0.714 0.274 1.00 0.00 N ATOM 216 CA THR A 90 9.370 0.009 -0.939 1.00 0.00 C ATOM 217 C THR A 90 7.891 -0.361 -0.896 1.00 0.00 C ATOM 218 O THR A 90 7.408 -0.922 0.087 1.00 0.00 O ATOM 219 CB THR A 90 10.215 -1.254 -1.128 1.00 0.00 C ATOM 220 OG1 THR A 90 11.499 -0.928 -1.629 1.00 0.00 O ATOM 221 CG2 THR A 90 9.593 -2.256 -2.077 1.00 0.00 C ATOM 0 H THR A 90 9.504 0.246 1.141 1.00 0.00 H new ATOM 0 HA THR A 90 9.535 0.678 -1.783 1.00 0.00 H new ATOM 0 HB THR A 90 10.280 -1.707 -0.139 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.024 -1.748 -1.741 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.244 -3.126 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.621 -2.567 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.466 -1.798 -3.058 1.00 0.00 H new ATOM 229 N PHE A 91 7.179 -0.047 -1.973 1.00 0.00 N ATOM 230 CA PHE A 91 5.756 -0.348 -2.067 1.00 0.00 C ATOM 231 C PHE A 91 5.540 -1.829 -2.355 1.00 0.00 C ATOM 232 O PHE A 91 6.344 -2.455 -3.043 1.00 0.00 O ATOM 233 CB PHE A 91 5.113 0.495 -3.170 1.00 0.00 C ATOM 234 CG PHE A 91 3.715 0.068 -3.524 1.00 0.00 C ATOM 235 CD1 PHE A 91 2.628 0.540 -2.795 1.00 0.00 C ATOM 236 CD2 PHE A 91 3.483 -0.800 -4.589 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.339 0.156 -3.120 1.00 0.00 C ATOM 238 CE2 PHE A 91 2.193 -1.186 -4.916 1.00 0.00 C ATOM 239 CZ PHE A 91 1.122 -0.706 -4.181 1.00 0.00 C ATOM 0 H PHE A 91 7.566 0.417 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 91 5.288 -0.106 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.095 1.538 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.736 0.444 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.792 1.213 -1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.316 -1.175 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.503 0.528 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.023 -1.860 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.116 -1.005 -4.436 1.00 0.00 H new ATOM 249 N TYR A 92 4.452 -2.382 -1.825 1.00 0.00 N ATOM 250 CA TYR A 92 4.130 -3.794 -2.030 1.00 0.00 C ATOM 251 C TYR A 92 2.622 -4.018 -1.995 1.00 0.00 C ATOM 252 O TYR A 92 1.882 -3.248 -1.382 1.00 0.00 O ATOM 253 CB TYR A 92 4.804 -4.659 -0.964 1.00 0.00 C ATOM 254 CG TYR A 92 6.302 -4.766 -1.129 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.874 -4.882 -2.394 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.148 -4.750 -0.021 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.250 -4.974 -2.551 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.521 -4.843 -0.168 1.00 0.00 C ATOM 259 CZ TYR A 92 9.068 -4.954 -1.435 1.00 0.00 C ATOM 260 OH TYR A 92 10.433 -5.047 -1.584 1.00 0.00 O ATOM 0 H TYR A 92 3.778 -1.875 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 92 4.505 -4.083 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.584 -4.245 0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.371 -5.659 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.237 -4.901 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.725 -4.664 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.680 -5.061 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.162 -4.829 0.701 1.00 0.00 H new ATOM 0 HH TYR A 92 10.874 -4.707 -0.778 1.00 0.00 H new ATOM 270 N ARG A 93 2.174 -5.080 -2.655 1.00 0.00 N ATOM 271 CA ARG A 93 0.755 -5.409 -2.699 1.00 0.00 C ATOM 272 C ARG A 93 0.545 -6.918 -2.633 1.00 0.00 C ATOM 273 O ARG A 93 -0.378 -7.454 -3.245 1.00 0.00 O ATOM 274 CB ARG A 93 0.116 -4.849 -3.970 1.00 0.00 C ATOM 275 CG ARG A 93 0.466 -5.635 -5.223 1.00 0.00 C ATOM 276 CD ARG A 93 0.619 -4.722 -6.428 1.00 0.00 C ATOM 277 NE ARG A 93 -0.652 -4.127 -6.830 1.00 0.00 N ATOM 278 CZ ARG A 93 -1.532 -4.736 -7.618 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.279 -5.953 -8.082 1.00 0.00 N ATOM 280 NH2 ARG A 93 -2.666 -4.131 -7.942 1.00 0.00 N ATOM 0 H ARG A 93 2.773 -5.728 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 93 0.277 -4.954 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.967 -4.839 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.432 -3.814 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.393 -6.185 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.312 -6.373 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.332 -3.931 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.033 -5.289 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.877 -3.193 -6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.408 -6.423 -7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.955 -6.419 -8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.865 -3.196 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.340 -4.601 -8.547 1.00 0.00 H new ATOM 294 N THR A 94 1.408 -7.598 -1.885 1.00 0.00 N ATOM 295 CA THR A 94 1.316 -9.046 -1.739 1.00 0.00 C ATOM 296 C THR A 94 1.833 -9.489 -0.373 1.00 0.00 C ATOM 297 O THR A 94 3.031 -9.414 -0.097 1.00 0.00 O ATOM 298 CB THR A 94 2.107 -9.742 -2.847 1.00 0.00 C ATOM 299 OG1 THR A 94 3.500 -9.640 -2.609 1.00 0.00 O ATOM 300 CG2 THR A 94 1.834 -9.177 -4.224 1.00 0.00 C ATOM 0 H THR A 94 2.178 -7.170 -1.371 1.00 0.00 H new ATOM 0 HA THR A 94 0.266 -9.329 -1.819 1.00 0.00 H new ATOM 0 HB THR A 94 1.778 -10.781 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.654 -9.181 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.427 -9.716 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.775 -9.287 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.103 -8.121 -4.244 1.00 0.00 H new ATOM 308 N PRO A 95 0.929 -9.958 0.499 1.00 0.00 N ATOM 309 CA PRO A 95 1.290 -10.417 1.845 1.00 0.00 C ATOM 310 C PRO A 95 2.125 -11.692 1.814 1.00 0.00 C ATOM 311 O PRO A 95 2.883 -11.972 2.743 1.00 0.00 O ATOM 312 CB PRO A 95 -0.064 -10.680 2.509 1.00 0.00 C ATOM 313 CG PRO A 95 -1.002 -10.931 1.379 1.00 0.00 C ATOM 314 CD PRO A 95 -0.516 -10.078 0.241 1.00 0.00 C ATOM 0 HA PRO A 95 1.902 -9.687 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.015 -11.538 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.384 -9.826 3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.006 -11.985 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.024 -10.669 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.715 -10.544 -0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.005 -9.104 0.231 1.00 0.00 H new ATOM 322 N SER A 96 1.982 -12.461 0.740 1.00 0.00 N ATOM 323 CA SER A 96 2.724 -13.707 0.588 1.00 0.00 C ATOM 324 C SER A 96 3.169 -13.902 -0.859 1.00 0.00 C ATOM 325 O SER A 96 2.452 -13.548 -1.794 1.00 0.00 O ATOM 326 CB SER A 96 1.867 -14.892 1.033 1.00 0.00 C ATOM 327 OG SER A 96 0.889 -14.489 1.978 1.00 0.00 O ATOM 0 H SER A 96 1.359 -12.243 -0.038 1.00 0.00 H new ATOM 0 HA SER A 96 3.611 -13.652 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.378 -15.337 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.504 -15.661 1.470 1.00 0.00 H new ATOM 0 HG SER A 96 0.353 -15.265 2.245 1.00 0.00 H new ATOM 333 N PRO A 97 4.366 -14.474 -1.055 1.00 0.00 N ATOM 334 CA PRO A 97 4.916 -14.722 -2.391 1.00 0.00 C ATOM 335 C PRO A 97 3.925 -15.437 -3.303 1.00 0.00 C ATOM 336 O PRO A 97 4.057 -15.407 -4.527 1.00 0.00 O ATOM 337 CB PRO A 97 6.127 -15.614 -2.113 1.00 0.00 C ATOM 338 CG PRO A 97 6.542 -15.265 -0.726 1.00 0.00 C ATOM 339 CD PRO A 97 5.277 -14.924 0.013 1.00 0.00 C ATOM 0 HA PRO A 97 5.161 -13.796 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.869 -16.670 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.930 -15.426 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.058 -16.100 -0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.233 -14.422 -0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.877 -15.788 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.443 -14.143 0.755 1.00 0.00 H new ATOM 347 N ASP A 98 2.930 -16.080 -2.699 1.00 0.00 N ATOM 348 CA ASP A 98 1.914 -16.802 -3.455 1.00 0.00 C ATOM 349 C ASP A 98 0.548 -16.675 -2.790 1.00 0.00 C ATOM 350 O ASP A 98 0.054 -17.622 -2.177 1.00 0.00 O ATOM 351 CB ASP A 98 2.298 -18.278 -3.584 1.00 0.00 C ATOM 352 CG ASP A 98 3.368 -18.508 -4.633 1.00 0.00 C ATOM 353 OD1 ASP A 98 3.057 -18.378 -5.836 1.00 0.00 O ATOM 354 OD2 ASP A 98 4.516 -18.816 -4.252 1.00 0.00 O ATOM 0 H ASP A 98 2.806 -16.115 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 98 1.855 -16.361 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.653 -18.644 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.412 -18.860 -3.839 1.00 0.00 H new ATOM 359 N ALA A 99 -0.059 -15.499 -2.916 1.00 0.00 N ATOM 360 CA ALA A 99 -1.369 -15.248 -2.327 1.00 0.00 C ATOM 361 C ALA A 99 -2.245 -14.425 -3.265 1.00 0.00 C ATOM 362 O ALA A 99 -2.045 -14.429 -4.480 1.00 0.00 O ATOM 363 CB ALA A 99 -1.218 -14.539 -0.990 1.00 0.00 C ATOM 0 H ALA A 99 0.336 -14.705 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.857 -16.209 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.203 -14.358 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.636 -15.162 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.706 -13.588 -1.138 1.00 0.00 H new ATOM 369 N LYS A 100 -3.215 -13.720 -2.693 1.00 0.00 N ATOM 370 CA LYS A 100 -4.123 -12.892 -3.478 1.00 0.00 C ATOM 371 C LYS A 100 -3.773 -11.414 -3.331 1.00 0.00 C ATOM 372 O LYS A 100 -4.657 -10.559 -3.290 1.00 0.00 O ATOM 373 CB LYS A 100 -5.569 -13.131 -3.042 1.00 0.00 C ATOM 374 CG LYS A 100 -5.800 -14.500 -2.423 1.00 0.00 C ATOM 375 CD LYS A 100 -5.672 -14.457 -0.910 1.00 0.00 C ATOM 376 CE LYS A 100 -7.017 -14.214 -0.243 1.00 0.00 C ATOM 377 NZ LYS A 100 -7.089 -12.869 0.391 1.00 0.00 N ATOM 0 H LYS A 100 -3.393 -13.705 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.016 -13.171 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.854 -12.363 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.224 -13.017 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.792 -14.860 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.080 -15.210 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.252 -15.397 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.976 -13.668 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.811 -14.309 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.191 -14.981 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.021 -12.744 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.347 -12.787 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.948 -12.136 -0.333 1.00 0.00 H new ATOM 391 N ALA A 101 -2.479 -11.123 -3.253 1.00 0.00 N ATOM 392 CA ALA A 101 -2.013 -9.749 -3.111 1.00 0.00 C ATOM 393 C ALA A 101 -2.426 -9.167 -1.763 1.00 0.00 C ATOM 394 O ALA A 101 -2.972 -9.872 -0.914 1.00 0.00 O ATOM 395 CB ALA A 101 -2.553 -8.889 -4.245 1.00 0.00 C ATOM 0 H ALA A 101 -1.735 -11.820 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.924 -9.754 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.197 -7.865 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.206 -9.286 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.643 -8.899 -4.222 1.00 0.00 H new ATOM 401 N PHE A 102 -2.161 -7.879 -1.573 1.00 0.00 N ATOM 402 CA PHE A 102 -2.507 -7.204 -0.328 1.00 0.00 C ATOM 403 C PHE A 102 -3.738 -6.322 -0.510 1.00 0.00 C ATOM 404 O PHE A 102 -4.656 -6.345 0.309 1.00 0.00 O ATOM 405 CB PHE A 102 -1.329 -6.363 0.168 1.00 0.00 C ATOM 406 CG PHE A 102 -1.031 -6.553 1.629 1.00 0.00 C ATOM 407 CD1 PHE A 102 -2.036 -6.938 2.510 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.253 -6.350 2.124 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.767 -7.116 3.857 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.528 -6.527 3.471 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.483 -6.910 4.338 1.00 0.00 C ATOM 0 H PHE A 102 -1.708 -7.282 -2.265 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.737 -7.966 0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.442 -6.617 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.541 -5.310 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.037 -7.100 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.044 -6.051 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.556 -7.415 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.529 -6.367 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.271 -7.048 5.388 1.00 0.00 H new ATOM 421 N ILE A 103 -3.750 -5.549 -1.592 1.00 0.00 N ATOM 422 CA ILE A 103 -4.869 -4.661 -1.885 1.00 0.00 C ATOM 423 C ILE A 103 -4.824 -4.179 -3.331 1.00 0.00 C ATOM 424 O ILE A 103 -3.786 -3.725 -3.812 1.00 0.00 O ATOM 425 CB ILE A 103 -4.878 -3.437 -0.949 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.512 -2.750 -0.958 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.259 -3.851 0.463 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.473 -1.494 -1.800 1.00 0.00 C ATOM 0 H ILE A 103 -2.997 -5.520 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.779 -5.238 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.623 -2.728 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.233 -2.500 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.764 -3.451 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.261 -2.975 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.253 -4.298 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.537 -4.577 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.474 -1.060 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.721 -1.740 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.196 -0.775 -1.415 1.00 0.00 H new ATOM 440 N GLU A 104 -5.956 -4.278 -4.019 1.00 0.00 N ATOM 441 CA GLU A 104 -6.044 -3.851 -5.411 1.00 0.00 C ATOM 442 C GLU A 104 -7.277 -2.980 -5.636 1.00 0.00 C ATOM 443 O GLU A 104 -8.137 -2.868 -4.763 1.00 0.00 O ATOM 444 CB GLU A 104 -6.090 -5.066 -6.339 1.00 0.00 C ATOM 445 CG GLU A 104 -7.446 -5.749 -6.383 1.00 0.00 C ATOM 446 CD GLU A 104 -7.399 -7.096 -7.078 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.318 -7.464 -7.585 1.00 0.00 O ATOM 448 OE2 GLU A 104 -8.441 -7.783 -7.113 1.00 0.00 O ATOM 0 H GLU A 104 -6.825 -4.650 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.156 -3.261 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.818 -4.753 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.340 -5.788 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.815 -5.882 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.157 -5.103 -6.898 1.00 0.00 H new ATOM 455 N VAL A 105 -7.355 -2.365 -6.812 1.00 0.00 N ATOM 456 CA VAL A 105 -8.482 -1.506 -7.150 1.00 0.00 C ATOM 457 C VAL A 105 -9.806 -2.234 -6.944 1.00 0.00 C ATOM 458 O VAL A 105 -10.001 -3.341 -7.446 1.00 0.00 O ATOM 459 CB VAL A 105 -8.401 -1.016 -8.608 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.326 0.171 -8.825 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.968 -0.658 -8.973 1.00 0.00 C ATOM 0 H VAL A 105 -6.651 -2.446 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.434 -0.645 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.727 -1.825 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.255 0.503 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.353 -0.123 -8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.034 0.986 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.931 -0.314 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.612 0.134 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.333 -1.537 -8.860 1.00 0.00 H new ATOM 471 N GLY A 106 -10.711 -1.606 -6.202 1.00 0.00 N ATOM 472 CA GLY A 106 -12.004 -2.209 -5.941 1.00 0.00 C ATOM 473 C GLY A 106 -12.109 -2.761 -4.534 1.00 0.00 C ATOM 474 O GLY A 106 -13.204 -3.058 -4.056 1.00 0.00 O ATOM 0 H GLY A 106 -10.572 -0.690 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.787 -1.466 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.179 -3.012 -6.658 1.00 0.00 H new ATOM 478 N GLN A 107 -10.966 -2.901 -3.870 1.00 0.00 N ATOM 479 CA GLN A 107 -10.931 -3.420 -2.509 1.00 0.00 C ATOM 480 C GLN A 107 -11.287 -2.331 -1.502 1.00 0.00 C ATOM 481 O GLN A 107 -10.462 -1.474 -1.181 1.00 0.00 O ATOM 482 CB GLN A 107 -9.545 -3.989 -2.195 1.00 0.00 C ATOM 483 CG GLN A 107 -9.461 -4.682 -0.846 1.00 0.00 C ATOM 484 CD GLN A 107 -8.894 -6.085 -0.946 1.00 0.00 C ATOM 485 OE1 GLN A 107 -7.687 -6.271 -1.102 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.765 -7.084 -0.856 1.00 0.00 N ATOM 0 H GLN A 107 -10.052 -2.662 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.670 -4.217 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.267 -4.697 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.815 -3.180 -2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.839 -4.089 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.455 -4.727 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.757 -6.886 -0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.442 -8.050 -0.916 1.00 0.00 H new ATOM 495 N LYS A 108 -12.520 -2.369 -1.007 1.00 0.00 N ATOM 496 CA LYS A 108 -12.985 -1.383 -0.038 1.00 0.00 C ATOM 497 C LYS A 108 -12.361 -1.628 1.333 1.00 0.00 C ATOM 498 O LYS A 108 -13.017 -2.134 2.242 1.00 0.00 O ATOM 499 CB LYS A 108 -14.511 -1.425 0.070 1.00 0.00 C ATOM 500 CG LYS A 108 -15.220 -1.286 -1.267 1.00 0.00 C ATOM 501 CD LYS A 108 -16.078 -2.503 -1.572 1.00 0.00 C ATOM 502 CE LYS A 108 -17.484 -2.102 -1.992 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.513 -3.030 -1.446 1.00 0.00 N ATOM 0 H LYS A 108 -13.215 -3.071 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.677 -0.397 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.808 -2.366 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.842 -0.625 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.844 -0.393 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.483 -1.152 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.613 -3.088 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.129 -3.144 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.690 -1.088 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.548 -2.089 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.457 -2.722 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.332 -3.993 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.470 -3.024 -0.407 1.00 0.00 H new ATOM 517 N VAL A 109 -11.091 -1.263 1.473 1.00 0.00 N ATOM 518 CA VAL A 109 -10.381 -1.441 2.734 1.00 0.00 C ATOM 519 C VAL A 109 -11.200 -0.906 3.902 1.00 0.00 C ATOM 520 O VAL A 109 -12.259 -0.307 3.708 1.00 0.00 O ATOM 521 CB VAL A 109 -9.012 -0.735 2.715 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.142 -1.286 1.597 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.188 0.769 2.573 1.00 0.00 C ATOM 0 H VAL A 109 -10.533 -0.843 0.730 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.225 -2.512 2.861 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.510 -0.930 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.179 -0.775 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.986 -2.354 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.636 -1.125 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.210 1.250 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.711 0.988 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.769 1.148 3.414 1.00 0.00 H new ATOM 533 N ASN A 110 -10.702 -1.119 5.117 1.00 0.00 N ATOM 534 CA ASN A 110 -11.385 -0.655 6.315 1.00 0.00 C ATOM 535 C ASN A 110 -10.433 -0.632 7.503 1.00 0.00 C ATOM 536 O ASN A 110 -9.736 -1.609 7.776 1.00 0.00 O ATOM 537 CB ASN A 110 -12.585 -1.548 6.630 1.00 0.00 C ATOM 538 CG ASN A 110 -13.443 -1.821 5.411 1.00 0.00 C ATOM 539 OD1 ASN A 110 -14.204 -0.961 4.968 1.00 0.00 O ATOM 540 ND2 ASN A 110 -13.324 -3.024 4.863 1.00 0.00 N ATOM 0 H ASN A 110 -9.826 -1.611 5.295 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.739 0.359 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.232 -2.494 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.194 -1.074 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.876 -3.267 4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -12.680 -3.706 5.264 1.00 0.00 H new ATOM 547 N VAL A 111 -10.413 0.491 8.202 1.00 0.00 N ATOM 548 CA VAL A 111 -9.551 0.654 9.366 1.00 0.00 C ATOM 549 C VAL A 111 -9.472 -0.635 10.176 1.00 0.00 C ATOM 550 O VAL A 111 -10.443 -1.386 10.260 1.00 0.00 O ATOM 551 CB VAL A 111 -10.047 1.790 10.280 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.051 3.114 9.532 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.430 1.470 10.826 1.00 0.00 C ATOM 0 H VAL A 111 -10.985 1.307 7.984 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.559 0.907 8.991 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.362 1.880 11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.404 3.905 10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.040 3.346 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.712 3.042 8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.764 2.284 11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.129 1.351 9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.389 0.545 11.402 1.00 0.00 H new ATOM 563 N GLY A 112 -8.309 -0.885 10.768 1.00 0.00 N ATOM 564 CA GLY A 112 -8.126 -2.085 11.562 1.00 0.00 C ATOM 565 C GLY A 112 -7.558 -3.233 10.752 1.00 0.00 C ATOM 566 O GLY A 112 -7.238 -4.289 11.297 1.00 0.00 O ATOM 0 H GLY A 112 -7.491 -0.279 10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.459 -1.867 12.396 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.083 -2.384 11.989 1.00 0.00 H new ATOM 570 N ASP A 113 -7.432 -3.026 9.445 1.00 0.00 N ATOM 571 CA ASP A 113 -6.900 -4.047 8.555 1.00 0.00 C ATOM 572 C ASP A 113 -5.476 -3.697 8.127 1.00 0.00 C ATOM 573 O ASP A 113 -4.714 -3.113 8.898 1.00 0.00 O ATOM 574 CB ASP A 113 -7.804 -4.197 7.328 1.00 0.00 C ATOM 575 CG ASP A 113 -7.851 -5.622 6.814 1.00 0.00 C ATOM 576 OD1 ASP A 113 -8.331 -6.505 7.556 1.00 0.00 O ATOM 577 OD2 ASP A 113 -7.408 -5.856 5.670 1.00 0.00 O ATOM 0 H ASP A 113 -7.693 -2.157 8.979 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.873 -4.996 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.813 -3.872 7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.447 -3.539 6.535 1.00 0.00 H new ATOM 582 N THR A 114 -5.120 -4.057 6.898 1.00 0.00 N ATOM 583 CA THR A 114 -3.787 -3.777 6.377 1.00 0.00 C ATOM 584 C THR A 114 -3.837 -3.466 4.886 1.00 0.00 C ATOM 585 O THR A 114 -4.211 -4.315 4.077 1.00 0.00 O ATOM 586 CB THR A 114 -2.859 -4.966 6.631 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.019 -5.457 7.950 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.394 -4.633 6.440 1.00 0.00 C ATOM 0 H THR A 114 -5.735 -4.543 6.245 1.00 0.00 H new ATOM 0 HA THR A 114 -3.398 -2.902 6.897 1.00 0.00 H new ATOM 0 HB THR A 114 -3.145 -5.716 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.418 -6.218 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.791 -5.520 6.636 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.227 -4.299 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.108 -3.840 7.131 1.00 0.00 H new ATOM 596 N LEU A 115 -3.458 -2.244 4.528 1.00 0.00 N ATOM 597 CA LEU A 115 -3.458 -1.821 3.132 1.00 0.00 C ATOM 598 C LEU A 115 -2.371 -2.548 2.347 1.00 0.00 C ATOM 599 O LEU A 115 -2.623 -3.587 1.737 1.00 0.00 O ATOM 600 CB LEU A 115 -3.248 -0.308 3.036 1.00 0.00 C ATOM 601 CG LEU A 115 -4.406 0.542 3.560 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.025 2.015 3.567 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.654 0.316 2.720 1.00 0.00 C ATOM 0 H LEU A 115 -3.147 -1.529 5.185 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.426 -2.074 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.346 -0.046 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.069 -0.047 1.993 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.622 0.239 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.861 2.605 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.158 2.163 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.783 2.333 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.469 0.928 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.451 0.593 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.938 -0.735 2.765 1.00 0.00 H new ATOM 615 N CYS A 116 -1.163 -1.995 2.368 1.00 0.00 N ATOM 616 CA CYS A 116 -0.036 -2.591 1.660 1.00 0.00 C ATOM 617 C CYS A 116 1.212 -2.599 2.537 1.00 0.00 C ATOM 618 O CYS A 116 1.147 -2.292 3.727 1.00 0.00 O ATOM 619 CB CYS A 116 0.239 -1.827 0.363 1.00 0.00 C ATOM 620 SG CYS A 116 -0.266 -0.092 0.408 1.00 0.00 S ATOM 0 H CYS A 116 -0.939 -1.135 2.868 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.293 -3.622 1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.305 -1.878 0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.280 -2.324 -0.456 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.520 0.004 0.079 1.00 0.00 H new ATOM 626 N ILE A 117 2.347 -2.952 1.941 1.00 0.00 N ATOM 627 CA ILE A 117 3.609 -2.999 2.671 1.00 0.00 C ATOM 628 C ILE A 117 4.551 -1.893 2.209 1.00 0.00 C ATOM 629 O ILE A 117 4.881 -1.798 1.026 1.00 0.00 O ATOM 630 CB ILE A 117 4.316 -4.358 2.500 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.332 -5.419 2.002 1.00 0.00 C ATOM 632 CG2 ILE A 117 4.958 -4.793 3.808 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.838 -6.836 2.163 1.00 0.00 C ATOM 0 H ILE A 117 2.419 -3.209 0.957 1.00 0.00 H new ATOM 0 HA ILE A 117 3.366 -2.856 3.724 1.00 0.00 H new ATOM 0 HB ILE A 117 5.102 -4.245 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.392 -5.314 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.116 -5.237 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.452 -5.754 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.692 -4.049 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.191 -4.888 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.089 -7.534 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.762 -6.959 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.027 -7.037 3.217 1.00 0.00 H new ATOM 645 N VAL A 118 4.985 -1.064 3.151 1.00 0.00 N ATOM 646 CA VAL A 118 5.895 0.031 2.845 1.00 0.00 C ATOM 647 C VAL A 118 7.302 -0.281 3.342 1.00 0.00 C ATOM 648 O VAL A 118 7.864 0.457 4.150 1.00 0.00 O ATOM 649 CB VAL A 118 5.419 1.353 3.477 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.411 2.470 3.193 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.033 1.719 2.967 1.00 0.00 C ATOM 0 H VAL A 118 4.721 -1.130 4.134 1.00 0.00 H new ATOM 0 HA VAL A 118 5.907 0.144 1.761 1.00 0.00 H new ATOM 0 HB VAL A 118 5.361 1.217 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.057 3.395 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.383 2.209 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.505 2.608 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.713 2.655 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.063 1.835 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.329 0.929 3.228 1.00 0.00 H new ATOM 661 N GLU A 119 7.858 -1.386 2.856 1.00 0.00 N ATOM 662 CA GLU A 119 9.197 -1.812 3.249 1.00 0.00 C ATOM 663 C GLU A 119 10.105 -0.615 3.510 1.00 0.00 C ATOM 664 O GLU A 119 10.616 0.007 2.578 1.00 0.00 O ATOM 665 CB GLU A 119 9.809 -2.708 2.170 1.00 0.00 C ATOM 666 CG GLU A 119 10.188 -4.091 2.674 1.00 0.00 C ATOM 667 CD GLU A 119 11.356 -4.688 1.913 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.913 -3.992 1.037 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.715 -5.851 2.194 1.00 0.00 O ATOM 0 H GLU A 119 7.400 -2.005 2.187 1.00 0.00 H new ATOM 0 HA GLU A 119 9.107 -2.379 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.100 -2.811 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.697 -2.222 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.441 -4.031 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.327 -4.754 2.589 1.00 0.00 H new ATOM 676 N ALA A 120 10.304 -0.302 4.786 1.00 0.00 N ATOM 677 CA ALA A 120 11.154 0.815 5.178 1.00 0.00 C ATOM 678 C ALA A 120 12.271 0.345 6.102 1.00 0.00 C ATOM 679 O ALA A 120 12.103 -0.614 6.854 1.00 0.00 O ATOM 680 CB ALA A 120 10.327 1.898 5.856 1.00 0.00 C ATOM 0 H ALA A 120 9.887 -0.808 5.567 1.00 0.00 H new ATOM 0 HA ALA A 120 11.606 1.232 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.976 2.725 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.563 2.258 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.848 1.487 6.745 1.00 0.00 H new ATOM 686 N MET A 121 13.414 1.019 6.040 1.00 0.00 N ATOM 687 CA MET A 121 14.555 0.658 6.872 1.00 0.00 C ATOM 688 C MET A 121 14.856 -0.832 6.753 1.00 0.00 C ATOM 689 O MET A 121 15.489 -1.422 7.629 1.00 0.00 O ATOM 690 CB MET A 121 14.284 1.021 8.333 1.00 0.00 C ATOM 691 CG MET A 121 13.303 0.086 9.021 1.00 0.00 C ATOM 692 SD MET A 121 13.401 0.177 10.819 1.00 0.00 S ATOM 693 CE MET A 121 14.237 -1.362 11.190 1.00 0.00 C ATOM 0 H MET A 121 13.575 1.816 5.424 1.00 0.00 H new ATOM 0 HA MET A 121 15.423 1.218 6.524 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.226 1.013 8.881 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.897 2.039 8.380 1.00 0.00 H new ATOM 0 HG2 MET A 121 12.290 0.331 8.703 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.498 -0.938 8.702 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.372 -1.452 12.268 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.638 -2.198 10.828 1.00 0.00 H new ATOM 0 HE3 MET A 121 15.211 -1.374 10.700 1.00 0.00 H new ATOM 703 N LYS A 122 14.398 -1.434 5.660 1.00 0.00 N ATOM 704 CA LYS A 122 14.612 -2.854 5.416 1.00 0.00 C ATOM 705 C LYS A 122 13.659 -3.707 6.246 1.00 0.00 C ATOM 706 O LYS A 122 14.089 -4.526 7.057 1.00 0.00 O ATOM 707 CB LYS A 122 16.059 -3.240 5.727 1.00 0.00 C ATOM 708 CG LYS A 122 16.593 -4.354 4.842 1.00 0.00 C ATOM 709 CD LYS A 122 15.749 -5.614 4.957 1.00 0.00 C ATOM 710 CE LYS A 122 16.061 -6.378 6.234 1.00 0.00 C ATOM 711 NZ LYS A 122 15.332 -7.641 6.308 1.00 0.00 N ATOM 0 H LYS A 122 13.874 -0.957 4.927 1.00 0.00 H new ATOM 0 HA LYS A 122 14.411 -3.042 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.694 -2.361 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.128 -3.550 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.609 -4.019 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.623 -4.579 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.692 -5.348 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.931 -6.255 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 122 17.132 -6.574 6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 122 15.807 -5.762 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 15.573 -8.130 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.309 -7.453 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.593 -8.241 5.499 1.00 0.00 H new ATOM 722 N MET A 123 12.361 -3.516 6.031 1.00 0.00 N ATOM 723 CA MET A 123 11.351 -4.278 6.754 1.00 0.00 C ATOM 724 C MET A 123 9.953 -3.956 6.247 1.00 0.00 C ATOM 725 O MET A 123 9.563 -2.793 6.156 1.00 0.00 O ATOM 726 CB MET A 123 11.433 -4.004 8.254 1.00 0.00 C ATOM 727 CG MET A 123 10.704 -2.742 8.684 1.00 0.00 C ATOM 728 SD MET A 123 10.686 -2.527 10.475 1.00 0.00 S ATOM 729 CE MET A 123 8.927 -2.398 10.782 1.00 0.00 C ATOM 0 H MET A 123 11.986 -2.842 5.364 1.00 0.00 H new ATOM 0 HA MET A 123 11.550 -5.335 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.017 -4.855 8.793 1.00 0.00 H new ATOM 0 HB3 MET A 123 12.481 -3.924 8.543 1.00 0.00 H new ATOM 0 HG2 MET A 123 11.180 -1.877 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 123 9.679 -2.776 8.316 1.00 0.00 H new ATOM 0 HE1 MET A 123 8.731 -2.546 11.844 1.00 0.00 H new ATOM 0 HE2 MET A 123 8.577 -1.410 10.483 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.400 -3.159 10.206 1.00 0.00 H new ATOM 739 N MET A 124 9.205 -5.001 5.922 1.00 0.00 N ATOM 740 CA MET A 124 7.843 -4.849 5.424 1.00 0.00 C ATOM 741 C MET A 124 7.007 -3.995 6.372 1.00 0.00 C ATOM 742 O MET A 124 6.446 -4.497 7.346 1.00 0.00 O ATOM 743 CB MET A 124 7.189 -6.221 5.245 1.00 0.00 C ATOM 744 CG MET A 124 7.474 -6.862 3.896 1.00 0.00 C ATOM 745 SD MET A 124 7.539 -8.662 3.983 1.00 0.00 S ATOM 746 CE MET A 124 6.475 -8.971 5.390 1.00 0.00 C ATOM 0 H MET A 124 9.520 -5.969 5.994 1.00 0.00 H new ATOM 0 HA MET A 124 7.890 -4.346 4.458 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.539 -6.886 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.111 -6.119 5.368 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.702 -6.564 3.186 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.422 -6.486 3.512 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.141 -10.008 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.026 -8.782 6.311 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.609 -8.310 5.343 1.00 0.00 H new ATOM 756 N ASN A 125 6.928 -2.699 6.081 1.00 0.00 N ATOM 757 CA ASN A 125 6.161 -1.775 6.909 1.00 0.00 C ATOM 758 C ASN A 125 4.679 -1.826 6.549 1.00 0.00 C ATOM 759 O ASN A 125 4.139 -0.887 5.965 1.00 0.00 O ATOM 760 CB ASN A 125 6.688 -0.349 6.744 1.00 0.00 C ATOM 761 CG ASN A 125 6.941 0.332 8.075 1.00 0.00 C ATOM 762 OD1 ASN A 125 6.012 0.798 8.734 1.00 0.00 O ATOM 763 ND2 ASN A 125 8.206 0.393 8.477 1.00 0.00 N ATOM 0 H ASN A 125 7.386 -2.266 5.279 1.00 0.00 H new ATOM 0 HA ASN A 125 6.276 -2.078 7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.614 -0.371 6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.970 0.237 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.438 0.840 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.945 -0.007 7.898 1.00 0.00 H new ATOM 770 N GLN A 126 4.027 -2.929 6.902 1.00 0.00 N ATOM 771 CA GLN A 126 2.608 -3.102 6.617 1.00 0.00 C ATOM 772 C GLN A 126 1.802 -1.908 7.117 1.00 0.00 C ATOM 773 O GLN A 126 1.817 -1.591 8.307 1.00 0.00 O ATOM 774 CB GLN A 126 2.091 -4.389 7.262 1.00 0.00 C ATOM 775 CG GLN A 126 2.807 -5.641 6.781 1.00 0.00 C ATOM 776 CD GLN A 126 2.194 -6.912 7.337 1.00 0.00 C ATOM 777 OE1 GLN A 126 1.470 -6.882 8.332 1.00 0.00 O ATOM 778 NE2 GLN A 126 2.484 -8.039 6.696 1.00 0.00 N ATOM 0 H GLN A 126 4.459 -3.716 7.386 1.00 0.00 H new ATOM 0 HA GLN A 126 2.486 -3.171 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 126 2.199 -4.312 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 126 1.026 -4.487 7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.780 -5.675 5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.856 -5.590 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 126 3.089 -8.018 5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.102 -8.926 7.025 1.00 0.00 H new ATOM 787 N ILE A 127 1.102 -1.246 6.201 1.00 0.00 N ATOM 788 CA ILE A 127 0.292 -0.085 6.549 1.00 0.00 C ATOM 789 C ILE A 127 -1.118 -0.499 6.957 1.00 0.00 C ATOM 790 O ILE A 127 -1.913 -0.934 6.123 1.00 0.00 O ATOM 791 CB ILE A 127 0.202 0.910 5.376 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.600 1.256 4.862 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.536 2.170 5.806 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.512 1.825 5.928 1.00 0.00 C ATOM 0 H ILE A 127 1.080 -1.494 5.212 1.00 0.00 H new ATOM 0 HA ILE A 127 0.784 0.401 7.392 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.357 0.442 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.057 0.359 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.511 1.976 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.592 2.863 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.544 1.909 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.002 2.641 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.486 2.047 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.076 2.740 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.631 1.098 6.731 1.00 0.00 H new ATOM 806 N GLU A 128 -1.423 -0.358 8.242 1.00 0.00 N ATOM 807 CA GLU A 128 -2.739 -0.716 8.758 1.00 0.00 C ATOM 808 C GLU A 128 -3.781 0.321 8.353 1.00 0.00 C ATOM 809 O GLU A 128 -3.624 1.511 8.624 1.00 0.00 O ATOM 810 CB GLU A 128 -2.695 -0.845 10.283 1.00 0.00 C ATOM 811 CG GLU A 128 -1.935 0.278 10.968 1.00 0.00 C ATOM 812 CD GLU A 128 -2.421 0.534 12.380 1.00 0.00 C ATOM 813 OE1 GLU A 128 -3.625 0.324 12.641 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.600 0.945 13.226 1.00 0.00 O ATOM 0 H GLU A 128 -0.777 0.001 8.945 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.022 -1.677 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -3.715 -0.869 10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -2.234 -1.797 10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.874 0.031 10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -2.037 1.191 10.382 1.00 0.00 H new ATOM 821 N ALA A 129 -4.844 -0.139 7.702 1.00 0.00 N ATOM 822 CA ALA A 129 -5.911 0.748 7.258 1.00 0.00 C ATOM 823 C ALA A 129 -6.151 1.867 8.267 1.00 0.00 C ATOM 824 O ALA A 129 -6.618 1.624 9.379 1.00 0.00 O ATOM 825 CB ALA A 129 -7.192 -0.040 7.030 1.00 0.00 C ATOM 0 H ALA A 129 -4.989 -1.122 7.470 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.603 1.202 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.981 0.636 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.021 -0.800 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.494 -0.521 7.960 1.00 0.00 H new ATOM 831 N ASP A 130 -5.830 3.094 7.869 1.00 0.00 N ATOM 832 CA ASP A 130 -6.014 4.251 8.738 1.00 0.00 C ATOM 833 C ASP A 130 -7.277 5.016 8.359 1.00 0.00 C ATOM 834 O ASP A 130 -7.478 6.153 8.784 1.00 0.00 O ATOM 835 CB ASP A 130 -4.797 5.176 8.657 1.00 0.00 C ATOM 836 CG ASP A 130 -4.339 5.650 10.022 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.200 6.066 10.827 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.120 5.606 10.287 1.00 0.00 O ATOM 0 H ASP A 130 -5.442 3.313 6.951 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.120 3.894 9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.978 4.652 8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.041 6.040 8.039 1.00 0.00 H new ATOM 843 N LYS A 131 -8.125 4.383 7.554 1.00 0.00 N ATOM 844 CA LYS A 131 -9.370 5.000 7.114 1.00 0.00 C ATOM 845 C LYS A 131 -10.020 4.183 6.002 1.00 0.00 C ATOM 846 O LYS A 131 -9.438 3.998 4.932 1.00 0.00 O ATOM 847 CB LYS A 131 -9.113 6.428 6.629 1.00 0.00 C ATOM 848 CG LYS A 131 -10.222 6.979 5.748 1.00 0.00 C ATOM 849 CD LYS A 131 -9.840 8.321 5.144 1.00 0.00 C ATOM 850 CE LYS A 131 -10.749 9.433 5.641 1.00 0.00 C ATOM 851 NZ LYS A 131 -10.001 10.698 5.877 1.00 0.00 N ATOM 0 H LYS A 131 -7.971 3.441 7.193 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.051 5.029 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -8.989 7.080 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.175 6.452 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.441 6.269 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.134 7.090 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -8.806 8.554 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.896 8.262 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.539 9.609 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.233 9.120 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -10.657 11.431 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -9.263 10.537 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.560 11.011 4.989 1.00 0.00 H new ATOM 865 N SER A 132 -11.228 3.695 6.262 1.00 0.00 N ATOM 866 CA SER A 132 -11.957 2.897 5.283 1.00 0.00 C ATOM 867 C SER A 132 -11.975 3.589 3.923 1.00 0.00 C ATOM 868 O SER A 132 -12.319 4.767 3.820 1.00 0.00 O ATOM 869 CB SER A 132 -13.388 2.649 5.761 1.00 0.00 C ATOM 870 OG SER A 132 -14.019 3.862 6.132 1.00 0.00 O ATOM 0 H SER A 132 -11.723 3.838 7.142 1.00 0.00 H new ATOM 0 HA SER A 132 -11.446 1.940 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.960 2.165 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.378 1.966 6.610 1.00 0.00 H new ATOM 0 HG SER A 132 -13.840 4.545 5.452 1.00 0.00 H new ATOM 876 N GLY A 133 -11.606 2.849 2.882 1.00 0.00 N ATOM 877 CA GLY A 133 -11.589 3.410 1.544 1.00 0.00 C ATOM 878 C GLY A 133 -11.663 2.348 0.465 1.00 0.00 C ATOM 879 O GLY A 133 -11.766 1.157 0.762 1.00 0.00 O ATOM 0 H GLY A 133 -11.319 1.872 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.428 4.096 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.679 3.995 1.411 1.00 0.00 H new ATOM 883 N THR A 134 -11.613 2.779 -0.791 1.00 0.00 N ATOM 884 CA THR A 134 -11.677 1.859 -1.921 1.00 0.00 C ATOM 885 C THR A 134 -10.546 2.124 -2.912 1.00 0.00 C ATOM 886 O THR A 134 -10.560 3.127 -3.624 1.00 0.00 O ATOM 887 CB THR A 134 -13.018 1.999 -2.637 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.091 1.920 -1.715 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.243 0.944 -3.698 1.00 0.00 C ATOM 0 H THR A 134 -11.528 3.761 -1.052 1.00 0.00 H new ATOM 0 HA THR A 134 -11.571 0.846 -1.533 1.00 0.00 H new ATOM 0 HB THR A 134 -12.986 2.975 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.941 2.014 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.214 1.101 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.459 1.014 -4.453 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.218 -0.044 -3.239 1.00 0.00 H new ATOM 897 N VAL A 135 -9.576 1.218 -2.965 1.00 0.00 N ATOM 898 CA VAL A 135 -8.455 1.369 -3.884 1.00 0.00 C ATOM 899 C VAL A 135 -8.947 1.850 -5.243 1.00 0.00 C ATOM 900 O VAL A 135 -10.016 1.448 -5.700 1.00 0.00 O ATOM 901 CB VAL A 135 -7.688 0.046 -4.066 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.657 0.178 -5.176 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.028 -0.370 -2.760 1.00 0.00 C ATOM 0 H VAL A 135 -9.543 0.378 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.778 2.106 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.397 -0.731 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.124 -0.766 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.159 0.428 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.948 0.966 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.490 -1.307 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.329 0.404 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.791 -0.506 -1.994 1.00 0.00 H new ATOM 913 N LYS A 136 -8.173 2.719 -5.884 1.00 0.00 N ATOM 914 CA LYS A 136 -8.555 3.251 -7.182 1.00 0.00 C ATOM 915 C LYS A 136 -7.466 3.015 -8.220 1.00 0.00 C ATOM 916 O LYS A 136 -7.721 3.076 -9.423 1.00 0.00 O ATOM 917 CB LYS A 136 -8.853 4.744 -7.064 1.00 0.00 C ATOM 918 CG LYS A 136 -9.996 5.052 -6.114 1.00 0.00 C ATOM 919 CD LYS A 136 -11.345 4.806 -6.769 1.00 0.00 C ATOM 920 CE LYS A 136 -11.736 5.954 -7.684 1.00 0.00 C ATOM 921 NZ LYS A 136 -12.224 5.470 -9.006 1.00 0.00 N ATOM 0 H LYS A 136 -7.283 3.067 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.452 2.727 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.956 5.261 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.093 5.139 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.905 4.433 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.932 6.091 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.309 3.879 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.106 4.677 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.513 6.550 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.877 6.609 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -12.480 6.284 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -11.474 4.922 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.059 4.866 -8.868 1.00 0.00 H new ATOM 935 N ALA A 137 -6.250 2.746 -7.756 1.00 0.00 N ATOM 936 CA ALA A 137 -5.137 2.506 -8.661 1.00 0.00 C ATOM 937 C ALA A 137 -3.801 2.581 -7.933 1.00 0.00 C ATOM 938 O ALA A 137 -3.678 3.250 -6.908 1.00 0.00 O ATOM 939 CB ALA A 137 -5.177 3.512 -9.797 1.00 0.00 C ATOM 0 H ALA A 137 -6.013 2.689 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.235 1.498 -9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.342 3.330 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.115 3.408 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.103 4.521 -9.392 1.00 0.00 H new ATOM 945 N ILE A 138 -2.801 1.890 -8.472 1.00 0.00 N ATOM 946 CA ILE A 138 -1.474 1.879 -7.876 1.00 0.00 C ATOM 947 C ILE A 138 -0.506 2.728 -8.694 1.00 0.00 C ATOM 948 O ILE A 138 0.294 2.203 -9.468 1.00 0.00 O ATOM 949 CB ILE A 138 -0.914 0.445 -7.756 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.009 -0.590 -8.029 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.315 0.232 -6.377 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.170 -0.511 -7.062 1.00 0.00 C ATOM 0 H ILE A 138 -2.887 1.331 -9.321 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.572 2.299 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.131 0.316 -8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.382 -0.453 -9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.574 -1.588 -7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.077 -0.782 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.493 0.946 -6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -1.085 0.380 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.907 -1.273 -7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.810 -0.678 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.631 0.475 -7.126 1.00 0.00 H new ATOM 964 N LEU A 139 -0.585 4.044 -8.518 1.00 0.00 N ATOM 965 CA LEU A 139 0.286 4.965 -9.242 1.00 0.00 C ATOM 966 C LEU A 139 1.707 4.426 -9.286 1.00 0.00 C ATOM 967 O LEU A 139 2.458 4.688 -10.224 1.00 0.00 O ATOM 968 CB LEU A 139 0.272 6.345 -8.582 1.00 0.00 C ATOM 969 CG LEU A 139 -1.119 6.924 -8.322 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.018 8.375 -7.879 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.986 6.802 -9.566 1.00 0.00 C ATOM 0 H LEU A 139 -1.242 4.496 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.087 5.060 -10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.806 6.283 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.825 7.039 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.587 6.353 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.017 8.771 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.433 8.435 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.531 8.961 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.973 7.219 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.523 7.348 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.085 5.751 -9.839 1.00 0.00 H new ATOM 983 N VAL A 140 2.063 3.665 -8.259 1.00 0.00 N ATOM 984 CA VAL A 140 3.389 3.074 -8.166 1.00 0.00 C ATOM 985 C VAL A 140 3.356 1.612 -8.582 1.00 0.00 C ATOM 986 O VAL A 140 2.295 0.989 -8.606 1.00 0.00 O ATOM 987 CB VAL A 140 3.938 3.167 -6.731 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.196 2.325 -6.583 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.209 4.615 -6.358 1.00 0.00 C ATOM 0 H VAL A 140 1.448 3.443 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 140 4.040 3.633 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 140 3.186 2.774 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.569 2.404 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.965 1.283 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.957 2.683 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.597 4.662 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.942 5.037 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.283 5.186 -6.420 1.00 0.00 H new ATOM 999 N GLU A 141 4.522 1.063 -8.899 1.00 0.00 N ATOM 1000 CA GLU A 141 4.613 -0.333 -9.298 1.00 0.00 C ATOM 1001 C GLU A 141 4.069 -1.224 -8.186 1.00 0.00 C ATOM 1002 O GLU A 141 3.178 -0.820 -7.441 1.00 0.00 O ATOM 1003 CB GLU A 141 6.063 -0.704 -9.616 1.00 0.00 C ATOM 1004 CG GLU A 141 6.795 0.350 -10.430 1.00 0.00 C ATOM 1005 CD GLU A 141 7.198 -0.150 -11.803 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.016 -1.355 -12.074 1.00 0.00 O ATOM 1007 OE2 GLU A 141 7.695 0.665 -12.610 1.00 0.00 O ATOM 0 H GLU A 141 5.412 1.561 -8.887 1.00 0.00 H new ATOM 0 HA GLU A 141 4.016 -0.483 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.601 -0.868 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.077 -1.647 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.157 1.227 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.685 0.669 -9.888 1.00 0.00 H new ATOM 1014 N SER A 142 4.609 -2.429 -8.069 1.00 0.00 N ATOM 1015 CA SER A 142 4.164 -3.349 -7.034 1.00 0.00 C ATOM 1016 C SER A 142 5.214 -3.486 -5.942 1.00 0.00 C ATOM 1017 O SER A 142 4.977 -3.125 -4.792 1.00 0.00 O ATOM 1018 CB SER A 142 3.866 -4.722 -7.623 1.00 0.00 C ATOM 1019 OG SER A 142 2.672 -4.706 -8.385 1.00 0.00 O ATOM 0 H SER A 142 5.349 -2.789 -8.672 1.00 0.00 H new ATOM 0 HA SER A 142 3.251 -2.940 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.698 -5.039 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.778 -5.454 -6.820 1.00 0.00 H new ATOM 0 HG SER A 142 2.506 -5.599 -8.752 1.00 0.00 H new ATOM 1025 N GLY A 143 6.375 -4.017 -6.309 1.00 0.00 N ATOM 1026 CA GLY A 143 7.442 -4.197 -5.347 1.00 0.00 C ATOM 1027 C GLY A 143 8.723 -3.511 -5.757 1.00 0.00 C ATOM 1028 O GLY A 143 9.563 -4.101 -6.437 1.00 0.00 O ATOM 0 H GLY A 143 6.595 -4.326 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.122 -3.810 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.632 -5.262 -5.217 1.00 0.00 H new ATOM 1032 N GLN A 144 8.876 -2.261 -5.338 1.00 0.00 N ATOM 1033 CA GLN A 144 10.069 -1.492 -5.661 1.00 0.00 C ATOM 1034 C GLN A 144 10.287 -0.372 -4.649 1.00 0.00 C ATOM 1035 O GLN A 144 9.347 0.083 -3.997 1.00 0.00 O ATOM 1036 CB GLN A 144 9.960 -0.900 -7.070 1.00 0.00 C ATOM 1037 CG GLN A 144 9.610 -1.920 -8.143 1.00 0.00 C ATOM 1038 CD GLN A 144 10.729 -2.914 -8.390 1.00 0.00 C ATOM 1039 OE1 GLN A 144 11.776 -2.859 -7.747 1.00 0.00 O ATOM 1040 NE2 GLN A 144 10.510 -3.829 -9.327 1.00 0.00 N ATOM 0 H GLN A 144 8.189 -1.760 -4.775 1.00 0.00 H new ATOM 0 HA GLN A 144 10.923 -2.168 -5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 144 9.202 -0.117 -7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 144 10.907 -0.426 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 144 8.709 -2.458 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 144 9.380 -1.400 -9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 144 9.626 -3.837 -9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 144 11.226 -4.524 -9.538 1.00 0.00 H new ATOM 1049 N PRO A 145 11.539 0.092 -4.512 1.00 0.00 N ATOM 1050 CA PRO A 145 11.887 1.167 -3.578 1.00 0.00 C ATOM 1051 C PRO A 145 11.317 2.513 -4.013 1.00 0.00 C ATOM 1052 O PRO A 145 11.613 3.002 -5.103 1.00 0.00 O ATOM 1053 CB PRO A 145 13.416 1.194 -3.618 1.00 0.00 C ATOM 1054 CG PRO A 145 13.773 0.622 -4.946 1.00 0.00 C ATOM 1055 CD PRO A 145 12.711 -0.397 -5.258 1.00 0.00 C ATOM 0 HA PRO A 145 11.479 0.992 -2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.796 2.210 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.843 0.605 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 145 13.804 1.399 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.760 0.161 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.511 -0.454 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 145 13.005 -1.396 -4.935 1.00 0.00 H new ATOM 1063 N VAL A 146 10.497 3.107 -3.152 1.00 0.00 N ATOM 1064 CA VAL A 146 9.882 4.395 -3.443 1.00 0.00 C ATOM 1065 C VAL A 146 10.534 5.511 -2.633 1.00 0.00 C ATOM 1066 O VAL A 146 11.529 5.289 -1.941 1.00 0.00 O ATOM 1067 CB VAL A 146 8.372 4.376 -3.146 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.646 3.469 -4.128 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.116 3.936 -1.712 1.00 0.00 C ATOM 0 H VAL A 146 10.243 2.715 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 146 10.033 4.585 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 146 7.983 5.387 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.580 3.468 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.802 3.833 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.036 2.455 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.043 3.928 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.519 2.934 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.603 4.630 -1.026 1.00 0.00 H new ATOM 1079 N GLU A 147 9.969 6.711 -2.723 1.00 0.00 N ATOM 1080 CA GLU A 147 10.495 7.861 -1.999 1.00 0.00 C ATOM 1081 C GLU A 147 9.365 8.727 -1.452 1.00 0.00 C ATOM 1082 O GLU A 147 8.321 8.877 -2.085 1.00 0.00 O ATOM 1083 CB GLU A 147 11.395 8.695 -2.912 1.00 0.00 C ATOM 1084 CG GLU A 147 12.282 7.858 -3.821 1.00 0.00 C ATOM 1085 CD GLU A 147 13.590 7.469 -3.160 1.00 0.00 C ATOM 1086 OE1 GLU A 147 14.165 8.312 -2.439 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.038 6.322 -3.362 1.00 0.00 O ATOM 0 H GLU A 147 9.146 6.911 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 147 11.082 7.491 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.773 9.347 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.024 9.340 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.746 6.956 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.492 8.417 -4.733 1.00 0.00 H new ATOM 1094 N PHE A 148 9.584 9.298 -0.271 1.00 0.00 N ATOM 1095 CA PHE A 148 8.586 10.152 0.363 1.00 0.00 C ATOM 1096 C PHE A 148 7.825 10.970 -0.676 1.00 0.00 C ATOM 1097 O PHE A 148 8.415 11.495 -1.620 1.00 0.00 O ATOM 1098 CB PHE A 148 9.257 11.086 1.371 1.00 0.00 C ATOM 1099 CG PHE A 148 8.285 11.860 2.215 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.628 11.250 3.278 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.028 13.200 1.947 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.732 11.963 4.059 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.132 13.918 2.725 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.484 13.298 3.782 1.00 0.00 C ATOM 0 H PHE A 148 10.444 9.184 0.266 1.00 0.00 H new ATOM 0 HA PHE A 148 7.874 9.512 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.904 10.499 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.897 11.786 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.818 10.210 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 148 8.531 13.687 1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 148 6.228 11.479 4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 148 6.940 14.958 2.508 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.786 13.855 4.389 1.00 0.00 H new ATOM 1114 N ASP A 149 6.511 11.073 -0.495 1.00 0.00 N ATOM 1115 CA ASP A 149 5.670 11.828 -1.418 1.00 0.00 C ATOM 1116 C ASP A 149 5.568 11.120 -2.763 1.00 0.00 C ATOM 1117 O ASP A 149 5.366 11.755 -3.798 1.00 0.00 O ATOM 1118 CB ASP A 149 6.225 13.239 -1.611 1.00 0.00 C ATOM 1119 CG ASP A 149 5.148 14.238 -1.986 1.00 0.00 C ATOM 1120 OD1 ASP A 149 4.081 14.234 -1.336 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.370 15.023 -2.932 1.00 0.00 O ATOM 0 H ASP A 149 6.007 10.644 0.281 1.00 0.00 H new ATOM 0 HA ASP A 149 4.671 11.896 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.713 13.563 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.988 13.223 -2.389 1.00 0.00 H new ATOM 1126 N GLU A 150 5.706 9.800 -2.740 1.00 0.00 N ATOM 1127 CA GLU A 150 5.628 9.003 -3.956 1.00 0.00 C ATOM 1128 C GLU A 150 4.340 8.187 -3.988 1.00 0.00 C ATOM 1129 O GLU A 150 4.358 6.973 -3.797 1.00 0.00 O ATOM 1130 CB GLU A 150 6.838 8.070 -4.060 1.00 0.00 C ATOM 1131 CG GLU A 150 6.814 7.175 -5.288 1.00 0.00 C ATOM 1132 CD GLU A 150 7.935 7.487 -6.259 1.00 0.00 C ATOM 1133 OE1 GLU A 150 8.533 8.577 -6.146 1.00 0.00 O ATOM 1134 OE2 GLU A 150 8.216 6.640 -7.133 1.00 0.00 O ATOM 0 H GLU A 150 5.873 9.259 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 150 5.629 9.684 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.748 8.670 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.883 7.446 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 150 6.889 6.133 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.856 7.287 -5.796 1.00 0.00 H new ATOM 1141 N PRO A 151 3.200 8.852 -4.238 1.00 0.00 N ATOM 1142 CA PRO A 151 1.899 8.194 -4.304 1.00 0.00 C ATOM 1143 C PRO A 151 1.998 6.788 -4.883 1.00 0.00 C ATOM 1144 O PRO A 151 2.498 6.599 -5.992 1.00 0.00 O ATOM 1145 CB PRO A 151 1.118 9.118 -5.231 1.00 0.00 C ATOM 1146 CG PRO A 151 1.659 10.482 -4.946 1.00 0.00 C ATOM 1147 CD PRO A 151 3.091 10.299 -4.487 1.00 0.00 C ATOM 0 HA PRO A 151 1.438 8.055 -3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.262 8.845 -6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.047 9.067 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.616 11.109 -5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.067 10.979 -4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.799 10.628 -5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.299 10.876 -3.586 1.00 0.00 H new ATOM 1155 N LEU A 152 1.532 5.803 -4.124 1.00 0.00 N ATOM 1156 CA LEU A 152 1.586 4.413 -4.562 1.00 0.00 C ATOM 1157 C LEU A 152 0.195 3.789 -4.632 1.00 0.00 C ATOM 1158 O LEU A 152 -0.318 3.516 -5.716 1.00 0.00 O ATOM 1159 CB LEU A 152 2.467 3.589 -3.615 1.00 0.00 C ATOM 1160 CG LEU A 152 3.462 4.391 -2.770 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.314 4.042 -1.298 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.886 4.133 -3.239 1.00 0.00 C ATOM 0 H LEU A 152 1.113 5.940 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 152 2.016 4.405 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.819 3.025 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.023 2.862 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 152 3.244 5.452 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.029 4.621 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.302 4.276 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.506 2.979 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.580 4.710 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.114 3.071 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.985 4.432 -4.282 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.398 3.554 -3.467 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.717 2.946 -3.384 1.00 0.00 C ATOM 1176 C VAL A 153 -2.809 3.997 -3.222 1.00 0.00 C ATOM 1177 O VAL A 153 -2.976 4.581 -2.152 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.791 1.947 -2.211 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.082 2.508 -0.989 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.238 1.598 -1.885 1.00 0.00 C ATOM 0 H VAL A 153 0.018 3.778 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.882 2.414 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.284 1.030 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.144 1.790 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.035 2.695 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.558 3.442 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.264 0.892 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.777 2.504 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.709 1.148 -2.759 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.553 4.219 -4.294 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.645 5.185 -4.288 1.00 0.00 C ATOM 1192 C VAL A 154 -5.949 4.527 -3.856 1.00 0.00 C ATOM 1193 O VAL A 154 -6.297 3.446 -4.334 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.848 5.821 -5.674 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.869 6.948 -5.602 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.526 6.322 -6.232 1.00 0.00 C ATOM 0 H VAL A 154 -3.421 3.741 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.371 5.964 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.233 5.057 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.999 7.385 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.823 6.553 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.518 7.714 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.691 6.768 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.107 7.070 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.831 5.488 -6.325 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.664 5.182 -2.950 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.929 4.659 -2.449 1.00 0.00 C ATOM 1208 C ILE A 155 -8.999 5.744 -2.415 1.00 0.00 C ATOM 1209 O ILE A 155 -8.743 6.867 -1.980 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.762 4.068 -1.036 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.803 2.877 -1.068 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.111 3.654 -0.471 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.515 2.295 0.298 1.00 0.00 C ATOM 0 H ILE A 155 -6.389 6.078 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.244 3.871 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.339 4.834 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.225 2.099 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.864 3.189 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -8.975 3.239 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.765 4.524 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.561 2.902 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.828 1.455 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.064 3.059 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.445 1.951 0.751 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.201 5.408 -2.877 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.304 6.361 -2.895 1.00 0.00 C ATOM 1227 C GLU A 156 -11.977 6.442 -1.528 1.00 0.00 C ATOM 1228 O GLU A 156 -11.718 5.555 -0.689 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.331 5.967 -3.959 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.677 6.649 -3.787 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.609 5.880 -2.871 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.142 4.837 -3.306 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -14.805 6.319 -1.718 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.754 7.395 -1.309 1.00 0.00 O ATOM 0 H GLU A 156 -10.434 4.485 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.897 7.343 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -11.933 6.211 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.474 4.887 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -13.524 7.651 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -14.148 6.766 -4.763 1.00 0.00 H new TER 1241 GLU A 156