USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 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 149 THR OG1 : rot -77:sc= 0.928 USER MOD Set 1.2: A 151 THR OG1 : rot -172:sc= 0.397 USER MOD Single : A 116 THR OG1 : rot 56:sc= 0.109 USER MOD Single : A 121 SER OG : rot 67:sc= 1.08 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00929 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot -125:sc= -1.12 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 53:sc= -0.603! USER MOD Single : A 134 SER OG : rot 145:sc= 1.08 USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 137 THR OG1 : rot -160:sc= -1.25 USER MOD Single : A 142 ASN : amide:sc= -1.6 K(o=-1.6,f=-7.9!) USER MOD Single : A 143 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.4!) USER MOD Single : A 148 MET CE :methyl -157:sc=-0.00135 (180deg=-0.748) USER MOD Single : A 155 THR OG1 : rot 85:sc= -0.0569 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 THR OG1 : rot 76:sc= -2.04! USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 168 MET CE :methyl 172:sc=-0.00509 (180deg=-0.0659) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 -14.229 16.968 -4.438 1.00 0.00 N ATOM 2 CA ARG A 113 -12.823 16.551 -4.171 1.00 0.00 C ATOM 3 C ARG A 113 -12.799 15.333 -3.243 1.00 0.00 C ATOM 4 O ARG A 113 -12.399 15.420 -2.100 1.00 0.00 O ATOM 5 CB ARG A 113 -12.175 17.757 -3.489 1.00 0.00 C ATOM 6 CG ARG A 113 -10.925 18.171 -4.265 1.00 0.00 C ATOM 7 CD ARG A 113 -10.757 19.691 -4.191 1.00 0.00 C ATOM 8 NE ARG A 113 -9.664 20.004 -5.151 1.00 0.00 N ATOM 9 CZ ARG A 113 -8.590 20.620 -4.741 1.00 0.00 C ATOM 10 NH1 ARG A 113 -7.813 20.060 -3.854 1.00 0.00 N ATOM 11 NH2 ARG A 113 -8.291 21.798 -5.217 1.00 0.00 N ATOM 0 HA ARG A 113 -12.297 16.266 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.881 18.587 -3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.912 17.509 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.046 17.677 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.008 17.854 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.680 20.204 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.499 20.011 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.755 19.736 -6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.046 19.140 -3.481 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.973 20.543 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.897 22.237 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.451 22.280 -4.896 1.00 0.00 H new ATOM 27 N ILE A 114 -13.228 14.199 -3.726 1.00 0.00 N ATOM 28 CA ILE A 114 -13.233 12.978 -2.870 1.00 0.00 C ATOM 29 C ILE A 114 -12.210 11.962 -3.386 1.00 0.00 C ATOM 30 O ILE A 114 -12.069 11.759 -4.576 1.00 0.00 O ATOM 31 CB ILE A 114 -14.650 12.419 -2.987 1.00 0.00 C ATOM 32 CG1 ILE A 114 -14.795 11.205 -2.067 1.00 0.00 C ATOM 33 CG2 ILE A 114 -14.914 11.995 -4.433 1.00 0.00 C ATOM 34 CD1 ILE A 114 -14.898 11.675 -0.614 1.00 0.00 C ATOM 0 H ILE A 114 -13.575 14.065 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 114 -12.965 13.198 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 114 -15.368 13.186 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -15.682 10.633 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.939 10.541 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -15.925 11.596 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -14.809 12.858 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -14.196 11.228 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.001 10.810 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.998 12.228 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -15.768 12.322 -0.502 1.00 0.00 H new ATOM 46 N GLU A 115 -11.497 11.320 -2.500 1.00 0.00 N ATOM 47 CA GLU A 115 -10.487 10.315 -2.940 1.00 0.00 C ATOM 48 C GLU A 115 -10.665 9.010 -2.157 1.00 0.00 C ATOM 49 O GLU A 115 -10.981 9.017 -0.985 1.00 0.00 O ATOM 50 CB GLU A 115 -9.133 10.952 -2.625 1.00 0.00 C ATOM 51 CG GLU A 115 -8.899 12.143 -3.558 1.00 0.00 C ATOM 52 CD GLU A 115 -7.464 12.106 -4.087 1.00 0.00 C ATOM 53 OE1 GLU A 115 -6.656 11.405 -3.501 1.00 0.00 O ATOM 54 OE2 GLU A 115 -7.199 12.778 -5.070 1.00 0.00 O ATOM 0 H GLU A 115 -11.570 11.448 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.583 10.066 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.106 11.280 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.337 10.218 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.604 12.111 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.077 13.077 -3.024 1.00 0.00 H new ATOM 61 N THR A 116 -10.468 7.890 -2.799 1.00 0.00 N ATOM 62 CA THR A 116 -10.630 6.587 -2.092 1.00 0.00 C ATOM 63 C THR A 116 -9.311 5.809 -2.101 1.00 0.00 C ATOM 64 O THR A 116 -9.089 4.953 -2.934 1.00 0.00 O ATOM 65 CB THR A 116 -11.704 5.839 -2.884 1.00 0.00 C ATOM 66 OG1 THR A 116 -11.440 5.965 -4.274 1.00 0.00 O ATOM 67 CG2 THR A 116 -13.078 6.432 -2.567 1.00 0.00 C ATOM 0 H THR A 116 -10.202 7.821 -3.781 1.00 0.00 H new ATOM 0 HA THR A 116 -10.911 6.716 -1.047 1.00 0.00 H new ATOM 0 HB THR A 116 -11.693 4.785 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.537 5.637 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 116 -13.843 5.899 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 116 -13.279 6.334 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.092 7.486 -2.843 1.00 0.00 H new ATOM 75 N ASP A 117 -8.438 6.099 -1.176 1.00 0.00 N ATOM 76 CA ASP A 117 -7.133 5.377 -1.126 1.00 0.00 C ATOM 77 C ASP A 117 -7.069 4.495 0.123 1.00 0.00 C ATOM 78 O ASP A 117 -6.688 4.938 1.189 1.00 0.00 O ATOM 79 CB ASP A 117 -6.075 6.479 -1.058 1.00 0.00 C ATOM 80 CG ASP A 117 -5.533 6.757 -2.461 1.00 0.00 C ATOM 81 OD1 ASP A 117 -5.291 5.802 -3.182 1.00 0.00 O ATOM 82 OD2 ASP A 117 -5.365 7.920 -2.791 1.00 0.00 O ATOM 0 H ASP A 117 -8.571 6.805 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.987 4.724 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.508 7.387 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.263 6.177 -0.397 1.00 0.00 H new ATOM 87 N GLU A 118 -7.442 3.250 0.004 1.00 0.00 N ATOM 88 CA GLU A 118 -7.404 2.344 1.187 1.00 0.00 C ATOM 89 C GLU A 118 -7.390 0.881 0.739 1.00 0.00 C ATOM 90 O GLU A 118 -7.974 0.023 1.372 1.00 0.00 O ATOM 91 CB GLU A 118 -8.686 2.653 1.962 1.00 0.00 C ATOM 92 CG GLU A 118 -9.898 2.412 1.060 1.00 0.00 C ATOM 93 CD GLU A 118 -11.169 2.874 1.775 1.00 0.00 C ATOM 94 OE1 GLU A 118 -11.362 4.073 1.882 1.00 0.00 O ATOM 95 OE2 GLU A 118 -11.927 2.019 2.204 1.00 0.00 O ATOM 0 H GLU A 118 -7.771 2.821 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.511 2.497 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.748 2.023 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.675 3.687 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.779 2.954 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.973 1.354 0.810 1.00 0.00 H new ATOM 102 N ARG A 119 -6.728 0.586 -0.347 1.00 0.00 N ATOM 103 CA ARG A 119 -6.681 -0.825 -0.830 1.00 0.00 C ATOM 104 C ARG A 119 -5.706 -1.641 0.023 1.00 0.00 C ATOM 105 O ARG A 119 -5.114 -1.140 0.959 1.00 0.00 O ATOM 106 CB ARG A 119 -6.184 -0.733 -2.273 1.00 0.00 C ATOM 107 CG ARG A 119 -7.378 -0.791 -3.228 1.00 0.00 C ATOM 108 CD ARG A 119 -7.931 0.620 -3.442 1.00 0.00 C ATOM 109 NE ARG A 119 -9.344 0.418 -3.868 1.00 0.00 N ATOM 110 CZ ARG A 119 -9.631 0.272 -5.133 1.00 0.00 C ATOM 111 NH1 ARG A 119 -8.695 -0.054 -5.982 1.00 0.00 N ATOM 112 NH2 ARG A 119 -10.855 0.454 -5.549 1.00 0.00 N ATOM 0 H ARG A 119 -6.219 1.259 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.651 -1.318 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.632 0.195 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.495 -1.551 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -7.074 -1.222 -4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.153 -1.439 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.875 1.209 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -7.362 1.156 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.088 0.394 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.738 -0.195 -5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.920 -0.168 -6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.586 0.710 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.080 0.340 -6.537 1.00 0.00 H new ATOM 126 N ASP A 120 -5.533 -2.896 -0.291 1.00 0.00 N ATOM 127 CA ASP A 120 -4.594 -3.740 0.504 1.00 0.00 C ATOM 128 C ASP A 120 -3.310 -3.992 -0.291 1.00 0.00 C ATOM 129 O ASP A 120 -2.751 -5.071 -0.260 1.00 0.00 O ATOM 130 CB ASP A 120 -5.342 -5.052 0.745 1.00 0.00 C ATOM 131 CG ASP A 120 -6.039 -5.000 2.106 1.00 0.00 C ATOM 132 OD1 ASP A 120 -6.057 -3.935 2.700 1.00 0.00 O ATOM 133 OD2 ASP A 120 -6.544 -6.027 2.531 1.00 0.00 O ATOM 0 H ASP A 120 -6.000 -3.373 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 120 -4.301 -3.262 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -6.075 -5.215 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -4.647 -5.891 0.713 1.00 0.00 H new ATOM 138 N SER A 121 -2.838 -3.007 -1.004 1.00 0.00 N ATOM 139 CA SER A 121 -1.591 -3.193 -1.800 1.00 0.00 C ATOM 140 C SER A 121 -1.162 -1.868 -2.436 1.00 0.00 C ATOM 141 O SER A 121 -0.625 -1.838 -3.526 1.00 0.00 O ATOM 142 CB SER A 121 -1.961 -4.213 -2.877 1.00 0.00 C ATOM 143 OG SER A 121 -2.111 -3.548 -4.126 1.00 0.00 O ATOM 0 H SER A 121 -3.261 -2.081 -1.070 1.00 0.00 H new ATOM 0 HA SER A 121 -0.756 -3.531 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 121 -1.188 -4.978 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 121 -2.887 -4.721 -2.609 1.00 0.00 H new ATOM 0 HG SER A 121 -1.241 -3.208 -4.422 1.00 0.00 H new ATOM 149 N THR A 122 -1.391 -0.772 -1.765 1.00 0.00 N ATOM 150 CA THR A 122 -0.993 0.546 -2.335 1.00 0.00 C ATOM 151 C THR A 122 0.528 0.613 -2.492 1.00 0.00 C ATOM 152 O THR A 122 1.044 0.731 -3.587 1.00 0.00 O ATOM 153 CB THR A 122 -1.472 1.583 -1.319 1.00 0.00 C ATOM 154 OG1 THR A 122 -0.915 1.290 -0.046 1.00 0.00 O ATOM 155 CG2 THR A 122 -2.999 1.548 -1.231 1.00 0.00 C ATOM 0 H THR A 122 -1.836 -0.733 -0.848 1.00 0.00 H new ATOM 0 HA THR A 122 -1.425 0.716 -3.321 1.00 0.00 H new ATOM 0 HB THR A 122 -1.152 2.576 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.220 1.955 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 122 -3.339 2.288 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.425 1.775 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 122 -3.323 0.556 -0.916 1.00 0.00 H new ATOM 163 N ASN A 123 1.250 0.538 -1.406 1.00 0.00 N ATOM 164 CA ASN A 123 2.738 0.597 -1.490 1.00 0.00 C ATOM 165 C ASN A 123 3.167 1.670 -2.496 1.00 0.00 C ATOM 166 O ASN A 123 3.410 1.387 -3.652 1.00 0.00 O ATOM 167 CB ASN A 123 3.163 -0.792 -1.971 1.00 0.00 C ATOM 168 CG ASN A 123 3.700 -1.602 -0.789 1.00 0.00 C ATOM 169 OD1 ASN A 123 4.895 -1.765 -0.643 1.00 0.00 O ATOM 170 ND2 ASN A 123 2.862 -2.123 0.065 1.00 0.00 N ATOM 0 H ASN A 123 0.873 0.438 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 123 3.197 0.855 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 123 2.315 -1.307 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.929 -0.703 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.210 -2.667 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 123 1.859 -1.986 -0.057 1.00 0.00 H new ATOM 177 N ARG A 124 3.260 2.898 -2.066 1.00 0.00 N ATOM 178 CA ARG A 124 3.669 3.984 -3.003 1.00 0.00 C ATOM 179 C ARG A 124 5.071 4.487 -2.657 1.00 0.00 C ATOM 180 O ARG A 124 5.924 4.622 -3.514 1.00 0.00 O ATOM 181 CB ARG A 124 2.634 5.092 -2.803 1.00 0.00 C ATOM 182 CG ARG A 124 2.584 5.979 -4.049 1.00 0.00 C ATOM 183 CD ARG A 124 1.786 7.249 -3.742 1.00 0.00 C ATOM 184 NE ARG A 124 1.414 7.798 -5.075 1.00 0.00 N ATOM 185 CZ ARG A 124 0.828 8.961 -5.160 1.00 0.00 C ATOM 186 NH1 ARG A 124 1.546 10.048 -5.252 1.00 0.00 N ATOM 187 NH2 ARG A 124 -0.475 9.039 -5.152 1.00 0.00 N ATOM 0 H ARG A 124 3.071 3.197 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 124 3.705 3.642 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.653 4.657 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 124 2.891 5.690 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.595 6.239 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.123 5.438 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 124 0.901 7.025 -3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.382 7.962 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 124 1.617 7.266 -5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 124 2.564 9.988 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.089 10.957 -5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -1.036 8.190 -5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -0.932 9.949 -5.218 1.00 0.00 H new ATOM 201 N ALA A 125 5.318 4.765 -1.409 1.00 0.00 N ATOM 202 CA ALA A 125 6.666 5.262 -1.008 1.00 0.00 C ATOM 203 C ALA A 125 7.234 4.409 0.129 1.00 0.00 C ATOM 204 O ALA A 125 6.540 4.052 1.060 1.00 0.00 O ATOM 205 CB ALA A 125 6.437 6.698 -0.534 1.00 0.00 C ATOM 0 H ALA A 125 4.646 4.670 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 125 7.381 5.211 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.386 7.134 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.018 7.288 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.743 6.697 0.307 1.00 0.00 H new ATOM 211 N SER A 126 8.497 4.085 0.061 1.00 0.00 N ATOM 212 CA SER A 126 9.117 3.261 1.137 1.00 0.00 C ATOM 213 C SER A 126 10.598 3.621 1.282 1.00 0.00 C ATOM 214 O SER A 126 11.386 3.419 0.378 1.00 0.00 O ATOM 215 CB SER A 126 8.953 1.812 0.673 1.00 0.00 C ATOM 216 OG SER A 126 10.232 1.201 0.555 1.00 0.00 O ATOM 0 H SER A 126 9.127 4.356 -0.694 1.00 0.00 H new ATOM 0 HA SER A 126 8.653 3.427 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.339 1.259 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.435 1.783 -0.286 1.00 0.00 H new ATOM 0 HG SER A 126 10.340 0.840 -0.350 1.00 0.00 H new ATOM 222 N PHE A 127 10.983 4.158 2.407 1.00 0.00 N ATOM 223 CA PHE A 127 12.412 4.536 2.601 1.00 0.00 C ATOM 224 C PHE A 127 13.014 3.754 3.771 1.00 0.00 C ATOM 225 O PHE A 127 12.331 3.023 4.459 1.00 0.00 O ATOM 226 CB PHE A 127 12.384 6.032 2.914 1.00 0.00 C ATOM 227 CG PHE A 127 11.460 6.733 1.945 1.00 0.00 C ATOM 228 CD1 PHE A 127 11.927 7.109 0.681 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.137 7.004 2.313 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.070 7.758 -0.216 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.280 7.652 1.416 1.00 0.00 C ATOM 232 CZ PHE A 127 9.747 8.029 0.150 1.00 0.00 C ATOM 0 H PHE A 127 10.371 4.351 3.200 1.00 0.00 H new ATOM 0 HA PHE A 127 13.021 4.312 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.046 6.194 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.389 6.448 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 127 12.948 6.899 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.778 6.713 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.430 8.050 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.259 7.861 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.086 8.528 -0.543 1.00 0.00 H new ATOM 242 N LYS A 128 14.290 3.906 4.003 1.00 0.00 N ATOM 243 CA LYS A 128 14.936 3.176 5.129 1.00 0.00 C ATOM 244 C LYS A 128 16.114 3.987 5.677 1.00 0.00 C ATOM 245 O LYS A 128 16.807 4.668 4.948 1.00 0.00 O ATOM 246 CB LYS A 128 15.411 1.854 4.524 1.00 0.00 C ATOM 247 CG LYS A 128 16.344 1.144 5.509 1.00 0.00 C ATOM 248 CD LYS A 128 15.670 -0.131 6.020 1.00 0.00 C ATOM 249 CE LYS A 128 16.515 -1.347 5.630 1.00 0.00 C ATOM 250 NZ LYS A 128 16.155 -2.398 6.623 1.00 0.00 N ATOM 0 H LYS A 128 14.912 4.505 3.460 1.00 0.00 H new ATOM 0 HA LYS A 128 14.256 3.012 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.555 1.219 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.931 2.039 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.287 0.899 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.579 1.804 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.557 -0.086 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.669 -0.220 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.294 -1.672 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.580 -1.117 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.694 -3.265 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.382 -2.063 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.137 -2.601 6.560 1.00 0.00 H new ATOM 264 N CYS A 129 16.341 3.921 6.961 1.00 0.00 N ATOM 265 CA CYS A 129 17.465 4.688 7.566 1.00 0.00 C ATOM 266 C CYS A 129 18.722 3.813 7.647 1.00 0.00 C ATOM 267 O CYS A 129 18.661 2.681 8.079 1.00 0.00 O ATOM 268 CB CYS A 129 16.972 5.056 8.964 1.00 0.00 C ATOM 269 SG CYS A 129 18.198 6.082 9.794 1.00 0.00 S ATOM 0 H CYS A 129 15.793 3.366 7.619 1.00 0.00 H new ATOM 0 HA CYS A 129 17.734 5.568 6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.024 5.589 8.896 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.788 4.152 9.544 1.00 0.00 H new ATOM 274 N PRO A 130 19.823 4.368 7.217 1.00 0.00 N ATOM 275 CA PRO A 130 21.107 3.626 7.231 1.00 0.00 C ATOM 276 C PRO A 130 21.719 3.599 8.637 1.00 0.00 C ATOM 277 O PRO A 130 22.518 2.741 8.957 1.00 0.00 O ATOM 278 CB PRO A 130 21.989 4.425 6.277 1.00 0.00 C ATOM 279 CG PRO A 130 21.429 5.814 6.284 1.00 0.00 C ATOM 280 CD PRO A 130 19.973 5.724 6.678 1.00 0.00 C ATOM 0 HA PRO A 130 20.991 2.582 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.028 4.419 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.969 3.999 5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 130 21.976 6.443 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.531 6.272 5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.716 6.478 7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.319 5.885 5.821 1.00 0.00 H new ATOM 288 N VAL A 131 21.367 4.535 9.476 1.00 0.00 N ATOM 289 CA VAL A 131 21.952 4.557 10.849 1.00 0.00 C ATOM 290 C VAL A 131 21.192 3.615 11.787 1.00 0.00 C ATOM 291 O VAL A 131 21.678 2.560 12.141 1.00 0.00 O ATOM 292 CB VAL A 131 21.831 6.007 11.315 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.030 6.078 12.831 1.00 0.00 C ATOM 294 CG2 VAL A 131 22.908 6.846 10.622 1.00 0.00 C ATOM 0 H VAL A 131 20.703 5.282 9.273 1.00 0.00 H new ATOM 0 HA VAL A 131 22.987 4.216 10.851 1.00 0.00 H new ATOM 0 HB VAL A 131 20.843 6.391 11.063 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.943 7.113 13.161 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.270 5.474 13.326 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.019 5.697 13.086 1.00 0.00 H new ATOM 0 HG21 VAL A 131 22.828 7.883 10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 131 23.893 6.459 10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.770 6.795 9.542 1.00 0.00 H new ATOM 304 N CYS A 132 20.010 3.982 12.200 1.00 0.00 N ATOM 305 CA CYS A 132 19.246 3.089 13.124 1.00 0.00 C ATOM 306 C CYS A 132 18.471 2.028 12.330 1.00 0.00 C ATOM 307 O CYS A 132 17.592 1.367 12.847 1.00 0.00 O ATOM 308 CB CYS A 132 18.314 4.009 13.922 1.00 0.00 C ATOM 309 SG CYS A 132 16.900 4.502 12.912 1.00 0.00 S ATOM 0 H CYS A 132 19.542 4.851 11.943 1.00 0.00 H new ATOM 0 HA CYS A 132 19.903 2.536 13.796 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.967 3.496 14.819 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.860 4.893 14.251 1.00 0.00 H new ATOM 314 N SER A 133 18.818 1.849 11.082 1.00 0.00 N ATOM 315 CA SER A 133 18.148 0.814 10.231 1.00 0.00 C ATOM 316 C SER A 133 16.624 0.875 10.347 1.00 0.00 C ATOM 317 O SER A 133 15.942 -0.105 10.122 1.00 0.00 O ATOM 318 CB SER A 133 18.668 -0.532 10.741 1.00 0.00 C ATOM 319 OG SER A 133 18.795 -0.495 12.157 1.00 0.00 O ATOM 0 H SER A 133 19.547 2.382 10.608 1.00 0.00 H new ATOM 0 HA SER A 133 18.374 0.974 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.985 -1.330 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.633 -0.755 10.286 1.00 0.00 H new ATOM 0 HG SER A 133 17.947 -0.204 12.554 1.00 0.00 H new ATOM 325 N SER A 134 16.075 2.009 10.669 1.00 0.00 N ATOM 326 CA SER A 134 14.594 2.100 10.762 1.00 0.00 C ATOM 327 C SER A 134 14.010 2.197 9.350 1.00 0.00 C ATOM 328 O SER A 134 14.709 2.018 8.373 1.00 0.00 O ATOM 329 CB SER A 134 14.319 3.375 11.550 1.00 0.00 C ATOM 330 OG SER A 134 14.450 3.105 12.940 1.00 0.00 O ATOM 0 H SER A 134 16.582 2.871 10.871 1.00 0.00 H new ATOM 0 HA SER A 134 14.145 1.233 11.246 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.017 4.158 11.252 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.316 3.742 11.332 1.00 0.00 H new ATOM 0 HG SER A 134 14.834 3.886 13.390 1.00 0.00 H new ATOM 336 N THR A 135 12.743 2.477 9.224 1.00 0.00 N ATOM 337 CA THR A 135 12.152 2.580 7.860 1.00 0.00 C ATOM 338 C THR A 135 10.916 3.478 7.869 1.00 0.00 C ATOM 339 O THR A 135 10.322 3.730 8.898 1.00 0.00 O ATOM 340 CB THR A 135 11.774 1.149 7.476 1.00 0.00 C ATOM 341 OG1 THR A 135 12.770 0.253 7.952 1.00 0.00 O ATOM 342 CG2 THR A 135 11.674 1.043 5.954 1.00 0.00 C ATOM 0 H THR A 135 12.097 2.638 9.997 1.00 0.00 H new ATOM 0 HA THR A 135 12.851 3.022 7.150 1.00 0.00 H new ATOM 0 HB THR A 135 10.813 0.892 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.528 -0.665 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.405 0.024 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.911 1.731 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.635 1.298 5.508 1.00 0.00 H new ATOM 350 N PHE A 136 10.528 3.964 6.721 1.00 0.00 N ATOM 351 CA PHE A 136 9.333 4.847 6.646 1.00 0.00 C ATOM 352 C PHE A 136 8.637 4.677 5.294 1.00 0.00 C ATOM 353 O PHE A 136 9.182 4.108 4.369 1.00 0.00 O ATOM 354 CB PHE A 136 9.878 6.269 6.782 1.00 0.00 C ATOM 355 CG PHE A 136 10.829 6.340 7.952 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.329 6.467 9.253 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.209 6.284 7.734 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.212 6.538 10.337 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.093 6.354 8.817 1.00 0.00 C ATOM 360 CZ PHE A 136 12.594 6.481 10.118 1.00 0.00 C ATOM 0 H PHE A 136 10.990 3.786 5.829 1.00 0.00 H new ATOM 0 HA PHE A 136 8.601 4.613 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.391 6.561 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.057 6.971 6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.263 6.510 9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.593 6.187 6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.828 6.637 11.341 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.159 6.310 8.649 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.275 6.535 10.954 1.00 0.00 H new ATOM 370 N THR A 137 7.439 5.174 5.174 1.00 0.00 N ATOM 371 CA THR A 137 6.703 5.054 3.885 1.00 0.00 C ATOM 372 C THR A 137 6.130 6.413 3.485 1.00 0.00 C ATOM 373 O THR A 137 6.462 7.432 4.058 1.00 0.00 O ATOM 374 CB THR A 137 5.580 4.052 4.158 1.00 0.00 C ATOM 375 OG1 THR A 137 5.166 4.166 5.512 1.00 0.00 O ATOM 376 CG2 THR A 137 6.085 2.633 3.893 1.00 0.00 C ATOM 0 H THR A 137 6.935 5.660 5.916 1.00 0.00 H new ATOM 0 HA THR A 137 7.345 4.725 3.068 1.00 0.00 H new ATOM 0 HB THR A 137 4.736 4.262 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.696 3.349 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.284 1.920 4.088 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.402 2.548 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.929 2.419 4.549 1.00 0.00 H new ATOM 384 N ASP A 138 5.274 6.438 2.504 1.00 0.00 N ATOM 385 CA ASP A 138 4.683 7.732 2.066 1.00 0.00 C ATOM 386 C ASP A 138 4.110 8.491 3.266 1.00 0.00 C ATOM 387 O ASP A 138 4.307 9.680 3.411 1.00 0.00 O ATOM 388 CB ASP A 138 3.573 7.347 1.092 1.00 0.00 C ATOM 389 CG ASP A 138 2.761 6.184 1.670 1.00 0.00 C ATOM 390 OD1 ASP A 138 1.932 6.434 2.528 1.00 0.00 O ATOM 391 OD2 ASP A 138 2.984 5.063 1.241 1.00 0.00 O ATOM 0 H ASP A 138 4.958 5.618 1.986 1.00 0.00 H new ATOM 0 HA ASP A 138 5.421 8.388 1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 138 2.923 8.203 0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.001 7.062 0.131 1.00 0.00 H new ATOM 396 N LEU A 139 3.403 7.814 4.130 1.00 0.00 N ATOM 397 CA LEU A 139 2.825 8.507 5.317 1.00 0.00 C ATOM 398 C LEU A 139 3.934 9.212 6.102 1.00 0.00 C ATOM 399 O LEU A 139 3.687 10.129 6.860 1.00 0.00 O ATOM 400 CB LEU A 139 2.173 7.399 6.151 1.00 0.00 C ATOM 401 CG LEU A 139 3.240 6.651 6.954 1.00 0.00 C ATOM 402 CD1 LEU A 139 3.217 7.137 8.403 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.944 5.151 6.917 1.00 0.00 C ATOM 0 H LEU A 139 3.201 6.816 4.066 1.00 0.00 H new ATOM 0 HA LEU A 139 2.101 9.274 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.433 7.829 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.644 6.705 5.498 1.00 0.00 H new ATOM 0 HG LEU A 139 4.222 6.840 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.976 6.606 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.423 8.207 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.235 6.945 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.703 4.616 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.962 4.963 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.955 4.803 5.884 1.00 0.00 H new ATOM 415 N GLU A 140 5.157 8.794 5.921 1.00 0.00 N ATOM 416 CA GLU A 140 6.285 9.444 6.649 1.00 0.00 C ATOM 417 C GLU A 140 7.063 10.357 5.698 1.00 0.00 C ATOM 418 O GLU A 140 7.851 11.181 6.116 1.00 0.00 O ATOM 419 CB GLU A 140 7.173 8.294 7.124 1.00 0.00 C ATOM 420 CG GLU A 140 6.538 7.625 8.344 1.00 0.00 C ATOM 421 CD GLU A 140 7.019 8.320 9.619 1.00 0.00 C ATOM 422 OE1 GLU A 140 8.216 8.514 9.749 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.180 8.647 10.444 1.00 0.00 O ATOM 0 H GLU A 140 5.425 8.030 5.300 1.00 0.00 H new ATOM 0 HA GLU A 140 5.939 10.059 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.301 7.566 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.165 8.668 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.451 7.679 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.804 6.568 8.371 1.00 0.00 H new ATOM 430 N ALA A 141 6.848 10.214 4.418 1.00 0.00 N ATOM 431 CA ALA A 141 7.577 11.068 3.438 1.00 0.00 C ATOM 432 C ALA A 141 7.113 12.523 3.554 1.00 0.00 C ATOM 433 O ALA A 141 7.873 13.445 3.341 1.00 0.00 O ATOM 434 CB ALA A 141 7.212 10.496 2.067 1.00 0.00 C ATOM 0 H ALA A 141 6.199 9.542 4.009 1.00 0.00 H new ATOM 0 HA ALA A 141 8.654 11.065 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.711 11.072 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.532 9.456 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.133 10.552 1.925 1.00 0.00 H new ATOM 440 N ASN A 142 5.869 12.734 3.886 1.00 0.00 N ATOM 441 CA ASN A 142 5.358 14.129 4.011 1.00 0.00 C ATOM 442 C ASN A 142 5.760 14.727 5.362 1.00 0.00 C ATOM 443 O ASN A 142 5.557 15.897 5.619 1.00 0.00 O ATOM 444 CB ASN A 142 3.838 14.000 3.917 1.00 0.00 C ATOM 445 CG ASN A 142 3.324 13.187 5.107 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.087 12.515 5.773 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.053 13.220 5.404 1.00 0.00 N ATOM 0 H ASN A 142 5.185 12.002 4.076 1.00 0.00 H new ATOM 0 HA ASN A 142 5.764 14.786 3.242 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.378 14.988 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.560 13.513 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 142 1.700 12.682 6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.413 13.784 4.845 1.00 0.00 H new ATOM 454 N GLN A 143 6.326 13.934 6.230 1.00 0.00 N ATOM 455 CA GLN A 143 6.736 14.463 7.563 1.00 0.00 C ATOM 456 C GLN A 143 8.249 14.322 7.749 1.00 0.00 C ATOM 457 O GLN A 143 8.872 15.092 8.453 1.00 0.00 O ATOM 458 CB GLN A 143 5.985 13.599 8.578 1.00 0.00 C ATOM 459 CG GLN A 143 6.610 12.205 8.623 1.00 0.00 C ATOM 460 CD GLN A 143 5.876 11.349 9.657 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.361 11.150 10.753 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.718 10.830 9.353 1.00 0.00 N ATOM 0 H GLN A 143 6.522 12.945 6.075 1.00 0.00 H new ATOM 0 HA GLN A 143 6.503 15.522 7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.027 14.060 9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.933 13.528 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.551 11.737 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.667 12.277 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.310 10.997 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.221 10.258 10.035 1.00 0.00 H new ATOM 471 N LEU A 144 8.846 13.344 7.123 1.00 0.00 N ATOM 472 CA LEU A 144 10.319 13.155 7.266 1.00 0.00 C ATOM 473 C LEU A 144 11.067 14.035 6.260 1.00 0.00 C ATOM 474 O LEU A 144 12.244 14.295 6.404 1.00 0.00 O ATOM 475 CB LEU A 144 10.561 11.676 6.956 1.00 0.00 C ATOM 476 CG LEU A 144 9.971 10.808 8.070 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.487 9.374 7.927 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.395 11.365 9.432 1.00 0.00 C ATOM 0 H LEU A 144 8.378 12.668 6.519 1.00 0.00 H new ATOM 0 HA LEU A 144 10.673 13.431 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.105 11.416 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.630 11.485 6.862 1.00 0.00 H new ATOM 0 HG LEU A 144 8.884 10.814 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.067 8.755 8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.187 8.974 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.574 9.370 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.975 10.746 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.483 11.359 9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.030 12.387 9.537 1.00 0.00 H new ATOM 490 N PHE A 145 10.395 14.487 5.235 1.00 0.00 N ATOM 491 CA PHE A 145 11.071 15.340 4.213 1.00 0.00 C ATOM 492 C PHE A 145 11.591 16.635 4.841 1.00 0.00 C ATOM 493 O PHE A 145 10.877 17.334 5.534 1.00 0.00 O ATOM 494 CB PHE A 145 9.992 15.650 3.176 1.00 0.00 C ATOM 495 CG PHE A 145 10.637 16.217 1.933 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.701 15.540 1.327 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.168 17.418 1.386 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.298 16.063 0.174 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.765 17.941 0.233 1.00 0.00 C ATOM 500 CZ PHE A 145 11.830 17.264 -0.373 1.00 0.00 C ATOM 0 H PHE A 145 9.407 14.303 5.061 1.00 0.00 H new ATOM 0 HA PHE A 145 11.933 14.837 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.438 14.744 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.274 16.362 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 145 12.062 14.614 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.346 17.940 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 145 13.119 15.540 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.404 18.867 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.291 17.668 -1.262 1.00 0.00 H new ATOM 510 N ASP A 146 12.829 16.963 4.591 1.00 0.00 N ATOM 511 CA ASP A 146 13.400 18.218 5.157 1.00 0.00 C ATOM 512 C ASP A 146 13.608 19.241 4.036 1.00 0.00 C ATOM 513 O ASP A 146 14.253 18.952 3.047 1.00 0.00 O ATOM 514 CB ASP A 146 14.741 17.806 5.765 1.00 0.00 C ATOM 515 CG ASP A 146 14.646 17.852 7.291 1.00 0.00 C ATOM 516 OD1 ASP A 146 14.131 16.904 7.861 1.00 0.00 O ATOM 517 OD2 ASP A 146 15.090 18.834 7.863 1.00 0.00 O ATOM 0 H ASP A 146 13.471 16.415 4.018 1.00 0.00 H new ATOM 0 HA ASP A 146 12.746 18.678 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 146 15.008 16.801 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.530 18.474 5.419 1.00 0.00 H new ATOM 522 N PRO A 147 13.048 20.405 4.225 1.00 0.00 N ATOM 523 CA PRO A 147 13.167 21.482 3.210 1.00 0.00 C ATOM 524 C PRO A 147 14.585 22.063 3.194 1.00 0.00 C ATOM 525 O PRO A 147 14.882 22.969 2.441 1.00 0.00 O ATOM 526 CB PRO A 147 12.159 22.526 3.680 1.00 0.00 C ATOM 527 CG PRO A 147 12.015 22.291 5.150 1.00 0.00 C ATOM 528 CD PRO A 147 12.260 20.825 5.388 1.00 0.00 C ATOM 0 HA PRO A 147 12.976 21.132 2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.513 23.536 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.204 22.412 3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.728 22.897 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.019 22.576 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.801 20.657 6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.325 20.270 5.458 1.00 0.00 H new ATOM 536 N MET A 148 15.462 21.554 4.014 1.00 0.00 N ATOM 537 CA MET A 148 16.855 22.087 4.035 1.00 0.00 C ATOM 538 C MET A 148 17.794 21.143 3.278 1.00 0.00 C ATOM 539 O MET A 148 18.811 21.554 2.752 1.00 0.00 O ATOM 540 CB MET A 148 17.232 22.154 5.516 1.00 0.00 C ATOM 541 CG MET A 148 17.524 20.746 6.039 1.00 0.00 C ATOM 542 SD MET A 148 17.144 20.668 7.807 1.00 0.00 S ATOM 543 CE MET A 148 18.218 22.026 8.331 1.00 0.00 C ATOM 0 H MET A 148 15.276 20.794 4.669 1.00 0.00 H new ATOM 0 HA MET A 148 16.933 23.062 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.107 22.791 5.650 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.420 22.603 6.088 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.927 20.014 5.495 1.00 0.00 H new ATOM 0 HG3 MET A 148 18.571 20.493 5.870 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.464 21.909 9.386 1.00 0.00 H new ATOM 0 HE2 MET A 148 19.134 22.014 7.741 1.00 0.00 H new ATOM 0 HE3 MET A 148 17.703 22.975 8.182 1.00 0.00 H new ATOM 553 N THR A 149 17.465 19.882 3.219 1.00 0.00 N ATOM 554 CA THR A 149 18.342 18.915 2.497 1.00 0.00 C ATOM 555 C THR A 149 17.606 18.332 1.288 1.00 0.00 C ATOM 556 O THR A 149 18.169 17.595 0.502 1.00 0.00 O ATOM 557 CB THR A 149 18.647 17.819 3.519 1.00 0.00 C ATOM 558 OG1 THR A 149 19.310 16.741 2.871 1.00 0.00 O ATOM 559 CG2 THR A 149 17.342 17.318 4.138 1.00 0.00 C ATOM 0 H THR A 149 16.628 19.479 3.639 1.00 0.00 H new ATOM 0 HA THR A 149 19.250 19.384 2.118 1.00 0.00 H new ATOM 0 HB THR A 149 19.287 18.222 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.658 16.213 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.561 16.537 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.834 18.145 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.699 16.915 3.355 1.00 0.00 H new ATOM 567 N GLY A 150 16.350 18.657 1.132 1.00 0.00 N ATOM 568 CA GLY A 150 15.580 18.120 -0.027 1.00 0.00 C ATOM 569 C GLY A 150 15.455 16.601 0.096 1.00 0.00 C ATOM 570 O GLY A 150 15.288 15.901 -0.883 1.00 0.00 O ATOM 0 H GLY A 150 15.825 19.270 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.590 18.574 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.081 18.379 -0.960 1.00 0.00 H new ATOM 574 N THR A 151 15.531 16.085 1.293 1.00 0.00 N ATOM 575 CA THR A 151 15.415 14.609 1.475 1.00 0.00 C ATOM 576 C THR A 151 14.611 14.294 2.739 1.00 0.00 C ATOM 577 O THR A 151 14.213 15.178 3.471 1.00 0.00 O ATOM 578 CB THR A 151 16.854 14.108 1.618 1.00 0.00 C ATOM 579 OG1 THR A 151 17.752 15.117 1.176 1.00 0.00 O ATOM 580 CG2 THR A 151 17.042 12.848 0.774 1.00 0.00 C ATOM 0 H THR A 151 15.668 16.620 2.151 1.00 0.00 H new ATOM 0 HA THR A 151 14.900 14.132 0.641 1.00 0.00 H new ATOM 0 HB THR A 151 17.057 13.875 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.662 14.755 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.067 12.491 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.353 12.075 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.840 13.077 -0.272 1.00 0.00 H new ATOM 588 N PHE A 152 14.367 13.038 2.999 1.00 0.00 N ATOM 589 CA PHE A 152 13.588 12.670 4.215 1.00 0.00 C ATOM 590 C PHE A 152 14.536 12.336 5.367 1.00 0.00 C ATOM 591 O PHE A 152 15.413 11.505 5.246 1.00 0.00 O ATOM 592 CB PHE A 152 12.773 11.444 3.806 1.00 0.00 C ATOM 593 CG PHE A 152 11.996 11.761 2.551 1.00 0.00 C ATOM 594 CD1 PHE A 152 10.779 12.447 2.637 1.00 0.00 C ATOM 595 CD2 PHE A 152 12.493 11.372 1.301 1.00 0.00 C ATOM 596 CE1 PHE A 152 10.058 12.745 1.474 1.00 0.00 C ATOM 597 CE2 PHE A 152 11.774 11.672 0.137 1.00 0.00 C ATOM 598 CZ PHE A 152 10.556 12.358 0.225 1.00 0.00 C ATOM 0 H PHE A 152 14.673 12.253 2.424 1.00 0.00 H new ATOM 0 HA PHE A 152 12.949 13.482 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.433 10.594 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.092 11.161 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 152 10.396 12.747 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 152 13.431 10.841 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.118 13.273 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 152 12.158 11.375 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.001 12.588 -0.672 1.00 0.00 H new ATOM 608 N ARG A 153 14.365 12.987 6.485 1.00 0.00 N ATOM 609 CA ARG A 153 15.257 12.717 7.649 1.00 0.00 C ATOM 610 C ARG A 153 14.573 11.770 8.639 1.00 0.00 C ATOM 611 O ARG A 153 13.388 11.859 8.890 1.00 0.00 O ATOM 612 CB ARG A 153 15.496 14.085 8.290 1.00 0.00 C ATOM 613 CG ARG A 153 16.736 14.732 7.668 1.00 0.00 C ATOM 614 CD ARG A 153 17.393 15.664 8.689 1.00 0.00 C ATOM 615 NE ARG A 153 18.622 14.948 9.128 1.00 0.00 N ATOM 616 CZ ARG A 153 19.798 15.410 8.802 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.223 16.532 9.313 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.548 14.750 7.962 1.00 0.00 N ATOM 0 H ARG A 153 13.647 13.694 6.643 1.00 0.00 H new ATOM 0 HA ARG A 153 16.189 12.238 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.626 14.725 8.142 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.631 13.975 9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.442 13.963 7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.458 15.292 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.636 16.629 8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.728 15.859 9.530 1.00 0.00 H new ATOM 0 HE ARG A 153 18.545 14.096 9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.636 17.049 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.142 16.893 9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.215 13.873 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.467 15.111 7.707 1.00 0.00 H new ATOM 632 N CYS A 154 15.324 10.866 9.207 1.00 0.00 N ATOM 633 CA CYS A 154 14.746 9.906 10.192 1.00 0.00 C ATOM 634 C CYS A 154 13.874 10.655 11.206 1.00 0.00 C ATOM 635 O CYS A 154 13.783 11.867 11.182 1.00 0.00 O ATOM 636 CB CYS A 154 15.970 9.306 10.877 1.00 0.00 C ATOM 637 SG CYS A 154 15.520 7.821 11.799 1.00 0.00 S ATOM 0 H CYS A 154 16.322 10.750 9.030 1.00 0.00 H new ATOM 0 HA CYS A 154 14.111 9.150 9.731 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.727 9.062 10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.412 10.039 11.552 1.00 0.00 H new ATOM 642 N THR A 155 13.232 9.951 12.099 1.00 0.00 N ATOM 643 CA THR A 155 12.373 10.642 13.101 1.00 0.00 C ATOM 644 C THR A 155 12.893 10.398 14.521 1.00 0.00 C ATOM 645 O THR A 155 12.570 11.126 15.439 1.00 0.00 O ATOM 646 CB THR A 155 10.976 10.041 12.929 1.00 0.00 C ATOM 647 OG1 THR A 155 10.978 9.128 11.840 1.00 0.00 O ATOM 648 CG2 THR A 155 9.974 11.164 12.654 1.00 0.00 C ATOM 0 H THR A 155 13.265 8.935 12.178 1.00 0.00 H new ATOM 0 HA THR A 155 12.369 11.721 12.950 1.00 0.00 H new ATOM 0 HB THR A 155 10.693 9.512 13.839 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.277 8.248 12.151 1.00 0.00 H new ATOM 0 HG21 THR A 155 8.977 10.740 12.531 1.00 0.00 H new ATOM 0 HG22 THR A 155 9.971 11.862 13.491 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.259 11.691 11.744 1.00 0.00 H new ATOM 656 N PHE A 156 13.696 9.388 14.717 1.00 0.00 N ATOM 657 CA PHE A 156 14.224 9.127 16.088 1.00 0.00 C ATOM 658 C PHE A 156 15.733 9.358 16.123 1.00 0.00 C ATOM 659 O PHE A 156 16.269 9.882 17.080 1.00 0.00 O ATOM 660 CB PHE A 156 13.887 7.667 16.443 1.00 0.00 C ATOM 661 CG PHE A 156 13.369 6.909 15.241 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.247 6.527 14.223 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.009 6.589 15.149 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.767 5.828 13.113 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.528 5.888 14.038 1.00 0.00 C ATOM 666 CZ PHE A 156 12.407 5.508 13.018 1.00 0.00 C ATOM 0 H PHE A 156 14.007 8.738 13.996 1.00 0.00 H new ATOM 0 HA PHE A 156 13.772 9.804 16.812 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.777 7.171 16.831 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.140 7.648 17.236 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.296 6.772 14.295 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.331 6.884 15.936 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.446 5.534 12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.479 5.640 13.968 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.037 4.969 12.159 1.00 0.00 H new ATOM 676 N CYS A 157 16.423 8.988 15.084 1.00 0.00 N ATOM 677 CA CYS A 157 17.895 9.207 15.059 1.00 0.00 C ATOM 678 C CYS A 157 18.234 10.246 13.974 1.00 0.00 C ATOM 679 O CYS A 157 19.354 10.362 13.519 1.00 0.00 O ATOM 680 CB CYS A 157 18.498 7.811 14.804 1.00 0.00 C ATOM 681 SG CYS A 157 19.045 7.613 13.089 1.00 0.00 S ATOM 0 H CYS A 157 16.034 8.544 14.252 1.00 0.00 H new ATOM 0 HA CYS A 157 18.304 9.616 15.983 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.342 7.653 15.475 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.757 7.047 15.039 1.00 0.00 H new ATOM 686 N HIS A 158 17.246 11.013 13.589 1.00 0.00 N ATOM 687 CA HIS A 158 17.424 12.089 12.564 1.00 0.00 C ATOM 688 C HIS A 158 18.493 11.756 11.514 1.00 0.00 C ATOM 689 O HIS A 158 19.130 12.641 10.976 1.00 0.00 O ATOM 690 CB HIS A 158 17.826 13.324 13.368 1.00 0.00 C ATOM 691 CG HIS A 158 16.606 13.886 14.046 1.00 0.00 C ATOM 692 ND1 HIS A 158 15.893 14.951 13.519 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.954 13.534 15.202 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.862 15.199 14.349 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.853 14.364 15.392 1.00 0.00 N ATOM 0 H HIS A 158 16.296 10.936 13.953 1.00 0.00 H new ATOM 0 HA HIS A 158 16.508 12.228 11.990 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.581 13.061 14.109 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.270 14.072 12.712 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.251 12.734 15.864 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.131 15.978 14.191 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.184 14.340 16.161 1.00 0.00 H new ATOM 703 N THR A 159 18.683 10.510 11.185 1.00 0.00 N ATOM 704 CA THR A 159 19.693 10.176 10.140 1.00 0.00 C ATOM 705 C THR A 159 19.042 10.271 8.756 1.00 0.00 C ATOM 706 O THR A 159 17.854 10.062 8.607 1.00 0.00 O ATOM 707 CB THR A 159 20.118 8.741 10.437 1.00 0.00 C ATOM 708 OG1 THR A 159 21.001 8.736 11.548 1.00 0.00 O ATOM 709 CG2 THR A 159 20.823 8.144 9.216 1.00 0.00 C ATOM 0 H THR A 159 18.189 9.714 11.589 1.00 0.00 H new ATOM 0 HA THR A 159 20.546 10.854 10.148 1.00 0.00 H new ATOM 0 HB THR A 159 19.237 8.142 10.666 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.488 8.861 12.374 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.124 7.119 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.142 8.149 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.705 8.738 8.978 1.00 0.00 H new ATOM 717 N GLU A 160 19.802 10.584 7.746 1.00 0.00 N ATOM 718 CA GLU A 160 19.213 10.689 6.381 1.00 0.00 C ATOM 719 C GLU A 160 18.726 9.315 5.913 1.00 0.00 C ATOM 720 O GLU A 160 19.464 8.349 5.918 1.00 0.00 O ATOM 721 CB GLU A 160 20.352 11.191 5.493 1.00 0.00 C ATOM 722 CG GLU A 160 19.891 12.428 4.720 1.00 0.00 C ATOM 723 CD GLU A 160 19.772 12.087 3.233 1.00 0.00 C ATOM 724 OE1 GLU A 160 19.373 10.975 2.932 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.084 12.943 2.421 1.00 0.00 O ATOM 0 H GLU A 160 20.803 10.771 7.805 1.00 0.00 H new ATOM 0 HA GLU A 160 18.353 11.358 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.222 11.434 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.658 10.408 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 160 18.930 12.772 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 160 20.601 13.243 4.861 1.00 0.00 H new ATOM 732 N VAL A 161 17.487 9.216 5.513 1.00 0.00 N ATOM 733 CA VAL A 161 16.957 7.900 5.052 1.00 0.00 C ATOM 734 C VAL A 161 17.029 7.803 3.525 1.00 0.00 C ATOM 735 O VAL A 161 17.144 8.796 2.834 1.00 0.00 O ATOM 736 CB VAL A 161 15.503 7.872 5.521 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.441 8.159 7.023 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.704 8.937 4.767 1.00 0.00 C ATOM 0 H VAL A 161 16.820 9.987 5.485 1.00 0.00 H new ATOM 0 HA VAL A 161 17.531 7.063 5.450 1.00 0.00 H new ATOM 0 HB VAL A 161 15.079 6.888 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.403 8.138 7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 161 16.009 7.401 7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.867 9.142 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.667 8.918 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.131 9.920 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.745 8.733 3.697 1.00 0.00 H new ATOM 748 N GLU A 162 16.959 6.612 2.996 1.00 0.00 N ATOM 749 CA GLU A 162 17.018 6.445 1.515 1.00 0.00 C ATOM 750 C GLU A 162 15.882 5.531 1.047 1.00 0.00 C ATOM 751 O GLU A 162 15.377 4.719 1.798 1.00 0.00 O ATOM 752 CB GLU A 162 18.379 5.799 1.241 1.00 0.00 C ATOM 753 CG GLU A 162 19.493 6.732 1.719 1.00 0.00 C ATOM 754 CD GLU A 162 20.846 6.187 1.260 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.062 6.120 0.062 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.645 5.844 2.116 1.00 0.00 O ATOM 0 H GLU A 162 16.863 5.746 3.526 1.00 0.00 H new ATOM 0 HA GLU A 162 16.906 7.391 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.448 4.840 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.490 5.599 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.338 7.735 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.472 6.814 2.806 1.00 0.00 H new ATOM 763 N GLU A 163 15.472 5.655 -0.185 1.00 0.00 N ATOM 764 CA GLU A 163 14.364 4.793 -0.692 1.00 0.00 C ATOM 765 C GLU A 163 14.657 3.320 -0.395 1.00 0.00 C ATOM 766 O GLU A 163 15.764 2.849 -0.565 1.00 0.00 O ATOM 767 CB GLU A 163 14.328 5.038 -2.201 1.00 0.00 C ATOM 768 CG GLU A 163 13.442 6.249 -2.498 1.00 0.00 C ATOM 769 CD GLU A 163 14.314 7.410 -2.979 1.00 0.00 C ATOM 770 OE1 GLU A 163 15.471 7.455 -2.596 1.00 0.00 O ATOM 771 OE2 GLU A 163 13.809 8.235 -3.722 1.00 0.00 O ATOM 0 H GLU A 163 15.855 6.314 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 163 13.411 5.028 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.337 5.211 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.943 4.157 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.703 5.995 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 163 12.892 6.539 -1.603 1.00 0.00 H new ATOM 778 N ASP A 164 13.669 2.590 0.047 1.00 0.00 N ATOM 779 CA ASP A 164 13.886 1.147 0.354 1.00 0.00 C ATOM 780 C ASP A 164 13.238 0.275 -0.725 1.00 0.00 C ATOM 781 O ASP A 164 12.079 -0.077 -0.638 1.00 0.00 O ATOM 782 CB ASP A 164 13.203 0.923 1.706 1.00 0.00 C ATOM 783 CG ASP A 164 13.909 -0.209 2.453 1.00 0.00 C ATOM 784 OD1 ASP A 164 15.122 -0.154 2.565 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.223 -1.113 2.902 1.00 0.00 O ATOM 0 H ASP A 164 12.721 2.930 0.209 1.00 0.00 H new ATOM 0 HA ASP A 164 14.944 0.884 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.234 1.838 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.152 0.675 1.558 1.00 0.00 H new ATOM 790 N GLU A 165 13.975 -0.071 -1.745 1.00 0.00 N ATOM 791 CA GLU A 165 13.397 -0.916 -2.829 1.00 0.00 C ATOM 792 C GLU A 165 13.248 -2.364 -2.355 1.00 0.00 C ATOM 793 O GLU A 165 12.782 -3.219 -3.082 1.00 0.00 O ATOM 794 CB GLU A 165 14.400 -0.830 -3.979 1.00 0.00 C ATOM 795 CG GLU A 165 13.807 -1.495 -5.223 1.00 0.00 C ATOM 796 CD GLU A 165 14.033 -0.595 -6.440 1.00 0.00 C ATOM 797 OE1 GLU A 165 15.042 0.089 -6.466 1.00 0.00 O ATOM 798 OE2 GLU A 165 13.194 -0.606 -7.324 1.00 0.00 O ATOM 0 H GLU A 165 14.951 0.194 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 165 12.405 -0.578 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 165 14.639 0.212 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.332 -1.321 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 165 14.272 -2.467 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 165 12.741 -1.671 -5.081 1.00 0.00 H new ATOM 805 N SER A 166 13.637 -2.646 -1.143 1.00 0.00 N ATOM 806 CA SER A 166 13.514 -4.039 -0.628 1.00 0.00 C ATOM 807 C SER A 166 12.633 -4.065 0.624 1.00 0.00 C ATOM 808 O SER A 166 13.011 -4.592 1.650 1.00 0.00 O ATOM 809 CB SER A 166 14.942 -4.464 -0.288 1.00 0.00 C ATOM 810 OG SER A 166 15.362 -5.470 -1.200 1.00 0.00 O ATOM 0 H SER A 166 14.034 -1.973 -0.487 1.00 0.00 H new ATOM 0 HA SER A 166 13.052 -4.708 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 166 15.612 -3.606 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 166 14.988 -4.841 0.734 1.00 0.00 H new ATOM 0 HG SER A 166 16.278 -5.744 -0.986 1.00 0.00 H new ATOM 816 N ALA A 167 11.460 -3.497 0.544 1.00 0.00 N ATOM 817 CA ALA A 167 10.555 -3.488 1.729 1.00 0.00 C ATOM 818 C ALA A 167 9.172 -4.020 1.341 1.00 0.00 C ATOM 819 O ALA A 167 8.227 -3.272 1.194 1.00 0.00 O ATOM 820 CB ALA A 167 10.465 -2.020 2.144 1.00 0.00 C ATOM 0 H ALA A 167 11.090 -3.040 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 167 10.924 -4.120 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 167 9.814 -1.927 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 167 11.460 -1.651 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.057 -1.434 1.321 1.00 0.00 H new ATOM 826 N MET A 168 9.048 -5.309 1.175 1.00 0.00 N ATOM 827 CA MET A 168 7.726 -5.886 0.798 1.00 0.00 C ATOM 828 C MET A 168 7.356 -7.028 1.750 1.00 0.00 C ATOM 829 O MET A 168 8.174 -7.873 2.053 1.00 0.00 O ATOM 830 CB MET A 168 7.919 -6.416 -0.623 1.00 0.00 C ATOM 831 CG MET A 168 7.690 -5.286 -1.626 1.00 0.00 C ATOM 832 SD MET A 168 6.710 -5.904 -3.016 1.00 0.00 S ATOM 833 CE MET A 168 5.098 -5.332 -2.427 1.00 0.00 C ATOM 0 H MET A 168 9.803 -5.986 1.284 1.00 0.00 H new ATOM 0 HA MET A 168 6.923 -5.152 0.856 1.00 0.00 H new ATOM 0 HB2 MET A 168 8.925 -6.820 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 168 7.224 -7.233 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 168 7.174 -4.456 -1.144 1.00 0.00 H new ATOM 0 HG3 MET A 168 8.646 -4.903 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 168 4.351 -5.483 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 168 4.814 -5.896 -1.538 1.00 0.00 H new ATOM 0 HE3 MET A 168 5.156 -4.272 -2.181 1.00 0.00 H new ATOM 843 N PRO A 169 6.126 -7.013 2.187 1.00 0.00 N ATOM 844 CA PRO A 169 5.636 -8.063 3.113 1.00 0.00 C ATOM 845 C PRO A 169 5.442 -9.382 2.361 1.00 0.00 C ATOM 846 O PRO A 169 4.346 -9.900 2.266 1.00 0.00 O ATOM 847 CB PRO A 169 4.299 -7.513 3.602 1.00 0.00 C ATOM 848 CG PRO A 169 3.848 -6.577 2.526 1.00 0.00 C ATOM 849 CD PRO A 169 5.087 -6.028 1.866 1.00 0.00 C ATOM 0 HA PRO A 169 6.326 -8.275 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 169 3.576 -8.314 3.757 1.00 0.00 H new ATOM 0 HB3 PRO A 169 4.410 -6.995 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 169 3.224 -7.098 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 169 3.246 -5.771 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 169 4.953 -5.925 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 169 5.340 -5.040 2.251 1.00 0.00 H new ATOM 857 N LYS A 170 6.499 -9.927 1.823 1.00 0.00 N ATOM 858 CA LYS A 170 6.379 -11.211 1.073 1.00 0.00 C ATOM 859 C LYS A 170 6.797 -12.385 1.964 1.00 0.00 C ATOM 860 O LYS A 170 7.576 -12.232 2.883 1.00 0.00 O ATOM 861 CB LYS A 170 7.335 -11.065 -0.110 1.00 0.00 C ATOM 862 CG LYS A 170 6.925 -12.032 -1.223 1.00 0.00 C ATOM 863 CD LYS A 170 7.417 -11.497 -2.569 1.00 0.00 C ATOM 864 CE LYS A 170 8.256 -12.569 -3.269 1.00 0.00 C ATOM 865 NZ LYS A 170 7.313 -13.243 -4.204 1.00 0.00 N ATOM 0 H LYS A 170 7.441 -9.539 1.870 1.00 0.00 H new ATOM 0 HA LYS A 170 5.357 -11.409 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 170 7.318 -10.040 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 170 8.357 -11.272 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 170 7.347 -13.019 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 170 5.841 -12.147 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 170 6.568 -11.219 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 170 8.011 -10.596 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 170 9.095 -12.126 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 170 8.673 -13.275 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 7.814 -13.993 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 6.528 -13.661 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 6.937 -12.547 -4.879 1.00 0.00 H new ATOM 879 N LYS A 171 6.284 -13.555 1.698 1.00 0.00 N ATOM 880 CA LYS A 171 6.652 -14.737 2.527 1.00 0.00 C ATOM 881 C LYS A 171 6.081 -16.013 1.903 1.00 0.00 C ATOM 882 O LYS A 171 4.985 -16.433 2.217 1.00 0.00 O ATOM 883 CB LYS A 171 6.016 -14.475 3.893 1.00 0.00 C ATOM 884 CG LYS A 171 6.688 -15.354 4.949 1.00 0.00 C ATOM 885 CD LYS A 171 5.620 -16.134 5.719 1.00 0.00 C ATOM 886 CE LYS A 171 6.001 -17.616 5.761 1.00 0.00 C ATOM 887 NZ LYS A 171 4.749 -18.345 5.419 1.00 0.00 N ATOM 0 H LYS A 171 5.626 -13.743 0.942 1.00 0.00 H new ATOM 0 HA LYS A 171 7.731 -14.874 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 171 6.123 -13.423 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 171 4.948 -14.687 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 171 7.385 -16.044 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 171 7.268 -14.737 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 171 5.528 -15.742 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 171 4.649 -16.011 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 171 6.795 -17.840 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 171 6.367 -17.902 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 4.930 -19.369 5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 4.013 -18.118 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 4.428 -18.058 4.472 1.00 0.00 H new ATOM 901 N ASP A 172 6.814 -16.630 1.017 1.00 0.00 N ATOM 902 CA ASP A 172 6.311 -17.876 0.371 1.00 0.00 C ATOM 903 C ASP A 172 4.990 -17.597 -0.352 1.00 0.00 C ATOM 904 O ASP A 172 3.972 -18.194 -0.060 1.00 0.00 O ATOM 905 CB ASP A 172 6.097 -18.861 1.521 1.00 0.00 C ATOM 906 CG ASP A 172 7.352 -19.719 1.698 1.00 0.00 C ATOM 907 OD1 ASP A 172 8.353 -19.184 2.144 1.00 0.00 O ATOM 908 OD2 ASP A 172 7.290 -20.897 1.386 1.00 0.00 O ATOM 0 H ASP A 172 7.739 -16.326 0.713 1.00 0.00 H new ATOM 0 HA ASP A 172 7.005 -18.266 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 172 5.881 -18.320 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 172 5.235 -19.496 1.315 1.00 0.00 H new ATOM 913 N ALA A 173 4.998 -16.693 -1.294 1.00 0.00 N ATOM 914 CA ALA A 173 3.742 -16.375 -2.034 1.00 0.00 C ATOM 915 C ALA A 173 2.607 -16.080 -1.051 1.00 0.00 C ATOM 916 O ALA A 173 1.972 -16.978 -0.534 1.00 0.00 O ATOM 917 CB ALA A 173 3.432 -17.633 -2.847 1.00 0.00 C ATOM 0 H ALA A 173 5.819 -16.161 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 173 3.849 -15.495 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 173 2.519 -17.479 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 173 4.258 -17.839 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 173 3.298 -18.478 -2.172 1.00 0.00 H new ATOM 923 N ARG A 174 2.345 -14.829 -0.789 1.00 0.00 N ATOM 924 CA ARG A 174 1.250 -14.478 0.161 1.00 0.00 C ATOM 925 C ARG A 174 0.870 -13.004 0.008 1.00 0.00 C ATOM 926 O ARG A 174 1.655 -12.164 0.418 1.00 0.00 O ATOM 927 CB ARG A 174 1.831 -14.742 1.550 1.00 0.00 C ATOM 928 CG ARG A 174 0.838 -15.564 2.373 1.00 0.00 C ATOM 929 CD ARG A 174 1.602 -16.424 3.382 1.00 0.00 C ATOM 930 NE ARG A 174 0.684 -17.551 3.701 1.00 0.00 N ATOM 931 CZ ARG A 174 0.674 -18.068 4.900 1.00 0.00 C ATOM 932 NH1 ARG A 174 0.367 -17.325 5.927 1.00 0.00 N ATOM 933 NH2 ARG A 174 0.971 -19.326 5.071 1.00 0.00 N ATOM 934 OXT ARG A 174 -0.200 -12.739 -0.516 1.00 0.00 O ATOM 0 H ARG A 174 2.842 -14.034 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 174 0.345 -15.059 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 174 2.777 -15.276 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 174 2.042 -13.798 2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 174 0.145 -14.903 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 174 0.242 -16.198 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 174 2.540 -16.786 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 174 1.853 -15.854 4.277 1.00 0.00 H new ATOM 0 HE ARG A 174 0.062 -17.920 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 174 0.135 -16.341 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 174 0.359 -17.728 6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 174 1.211 -19.907 4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 174 0.963 -19.729 6.008 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.409 6.507 11.909 1.00 0.00 ZN