USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=14 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 -79:sc= 1.25 USER MOD Set 1.2: A 151 THR OG1 : rot -61:sc= 0.0693 USER MOD Single : A 116 THR OG1 : rot 94:sc= -0.16 USER MOD Single : A 121 SER OG : rot 129:sc= 0.0381 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 51:sc= -0.482! USER MOD Single : A 134 SER OG : rot -159:sc= 1.02 USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 137 THR OG1 : rot -160:sc= 0.0237 USER MOD Single : A 142 ASN : amide:sc= -0.842 K(o=-0.84,f=-3.6!) USER MOD Single : A 143 GLN : amide:sc= -0.251 K(o=-0.25,f=-0.86) USER MOD Single : A 148 MET CE :methyl -166:sc= -0.15 (180deg=-1.25) USER MOD Single : A 155 THR OG1 : rot 94:sc= -0.161 USER MOD Single : A 158 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 159 THR OG1 : rot 76:sc= -1.24! USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 168 MET CE :methyl 180:sc= 0 (180deg=0) 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 6.775 -14.068 -19.007 1.00 0.00 N ATOM 2 CA ARG A 113 8.251 -13.927 -19.174 1.00 0.00 C ATOM 3 C ARG A 113 8.611 -12.469 -19.474 1.00 0.00 C ATOM 4 O ARG A 113 9.359 -11.842 -18.752 1.00 0.00 O ATOM 5 CB ARG A 113 8.606 -14.821 -20.363 1.00 0.00 C ATOM 6 CG ARG A 113 9.273 -16.103 -19.861 1.00 0.00 C ATOM 7 CD ARG A 113 10.528 -15.746 -19.062 1.00 0.00 C ATOM 8 NE ARG A 113 11.540 -16.764 -19.459 1.00 0.00 N ATOM 9 CZ ARG A 113 12.322 -17.293 -18.559 1.00 0.00 C ATOM 10 NH1 ARG A 113 12.727 -16.579 -17.544 1.00 0.00 N ATOM 11 NH2 ARG A 113 12.698 -18.537 -18.674 1.00 0.00 N ATOM 0 HA ARG A 113 8.796 -14.212 -18.274 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.707 -15.065 -20.929 1.00 0.00 H new ATOM 0 HB3 ARG A 113 9.276 -14.292 -21.041 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.579 -16.666 -19.237 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.535 -16.743 -20.703 1.00 0.00 H new ATOM 0 HD2 ARG A 113 10.870 -14.738 -19.294 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.336 -15.778 -17.990 1.00 0.00 H new ATOM 0 HE ARG A 113 11.622 -17.048 -20.435 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.432 -15.607 -17.454 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.338 -16.993 -16.841 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.380 -19.095 -19.467 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.310 -18.952 -17.971 1.00 0.00 H new ATOM 27 N ILE A 114 8.083 -11.927 -20.537 1.00 0.00 N ATOM 28 CA ILE A 114 8.393 -10.511 -20.886 1.00 0.00 C ATOM 29 C ILE A 114 7.499 -9.561 -20.086 1.00 0.00 C ATOM 30 O ILE A 114 7.965 -8.621 -19.473 1.00 0.00 O ATOM 31 CB ILE A 114 8.092 -10.398 -22.380 1.00 0.00 C ATOM 32 CG1 ILE A 114 9.164 -11.152 -23.172 1.00 0.00 C ATOM 33 CG2 ILE A 114 8.096 -8.926 -22.793 1.00 0.00 C ATOM 34 CD1 ILE A 114 8.515 -12.309 -23.935 1.00 0.00 C ATOM 0 H ILE A 114 7.450 -12.403 -21.179 1.00 0.00 H new ATOM 0 HA ILE A 114 9.425 -10.245 -20.656 1.00 0.00 H new ATOM 0 HB ILE A 114 7.113 -10.830 -22.587 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.660 -10.476 -23.868 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.930 -11.532 -22.497 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.881 -8.847 -23.859 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.335 -8.388 -22.228 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.075 -8.493 -22.587 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.278 -12.846 -24.499 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.040 -12.989 -23.229 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.765 -11.917 -24.622 1.00 0.00 H new ATOM 46 N GLU A 115 6.217 -9.801 -20.086 1.00 0.00 N ATOM 47 CA GLU A 115 5.292 -8.914 -19.325 1.00 0.00 C ATOM 48 C GLU A 115 5.755 -8.791 -17.870 1.00 0.00 C ATOM 49 O GLU A 115 6.155 -7.733 -17.424 1.00 0.00 O ATOM 50 CB GLU A 115 3.930 -9.605 -19.400 1.00 0.00 C ATOM 51 CG GLU A 115 2.851 -8.667 -18.860 1.00 0.00 C ATOM 52 CD GLU A 115 2.094 -9.360 -17.727 1.00 0.00 C ATOM 53 OE1 GLU A 115 1.884 -10.557 -17.827 1.00 0.00 O ATOM 54 OE2 GLU A 115 1.738 -8.682 -16.777 1.00 0.00 O ATOM 0 H GLU A 115 5.770 -10.573 -20.580 1.00 0.00 H new ATOM 0 HA GLU A 115 5.258 -7.904 -19.733 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.706 -9.879 -20.431 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.947 -10.529 -18.821 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.304 -7.744 -18.498 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.161 -8.392 -19.658 1.00 0.00 H new ATOM 61 N THR A 116 5.705 -9.863 -17.127 1.00 0.00 N ATOM 62 CA THR A 116 6.145 -9.804 -15.703 1.00 0.00 C ATOM 63 C THR A 116 5.467 -8.632 -14.990 1.00 0.00 C ATOM 64 O THR A 116 4.470 -8.107 -15.446 1.00 0.00 O ATOM 65 CB THR A 116 7.659 -9.594 -15.760 1.00 0.00 C ATOM 66 OG1 THR A 116 8.122 -9.816 -17.085 1.00 0.00 O ATOM 67 CG2 THR A 116 8.347 -10.574 -14.808 1.00 0.00 C ATOM 0 H THR A 116 5.379 -10.776 -17.444 1.00 0.00 H new ATOM 0 HA THR A 116 5.882 -10.707 -15.153 1.00 0.00 H new ATOM 0 HB THR A 116 7.893 -8.572 -15.462 1.00 0.00 H new ATOM 0 HG1 THR A 116 8.160 -8.963 -17.566 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.426 -10.424 -14.849 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.995 -10.401 -13.791 1.00 0.00 H new ATOM 0 HG23 THR A 116 8.111 -11.596 -15.105 1.00 0.00 H new ATOM 75 N ASP A 117 5.999 -8.216 -13.872 1.00 0.00 N ATOM 76 CA ASP A 117 5.383 -7.077 -13.134 1.00 0.00 C ATOM 77 C ASP A 117 5.659 -5.761 -13.865 1.00 0.00 C ATOM 78 O ASP A 117 6.789 -5.435 -14.171 1.00 0.00 O ATOM 79 CB ASP A 117 6.059 -7.080 -11.763 1.00 0.00 C ATOM 80 CG ASP A 117 5.302 -6.143 -10.821 1.00 0.00 C ATOM 81 OD1 ASP A 117 4.232 -6.521 -10.373 1.00 0.00 O ATOM 82 OD2 ASP A 117 5.806 -5.062 -10.563 1.00 0.00 O ATOM 0 H ASP A 117 6.832 -8.615 -13.439 1.00 0.00 H new ATOM 0 HA ASP A 117 4.300 -7.175 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 117 6.073 -8.090 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.097 -6.759 -11.856 1.00 0.00 H new ATOM 87 N GLU A 118 4.636 -5.002 -14.147 1.00 0.00 N ATOM 88 CA GLU A 118 4.839 -3.707 -14.858 1.00 0.00 C ATOM 89 C GLU A 118 5.445 -2.672 -13.906 1.00 0.00 C ATOM 90 O GLU A 118 6.613 -2.348 -13.987 1.00 0.00 O ATOM 91 CB GLU A 118 3.439 -3.274 -15.297 1.00 0.00 C ATOM 92 CG GLU A 118 2.910 -4.242 -16.357 1.00 0.00 C ATOM 93 CD GLU A 118 3.771 -4.140 -17.618 1.00 0.00 C ATOM 94 OE1 GLU A 118 4.677 -3.322 -17.627 1.00 0.00 O ATOM 95 OE2 GLU A 118 3.510 -4.880 -18.551 1.00 0.00 O ATOM 0 H GLU A 118 3.667 -5.222 -13.916 1.00 0.00 H new ATOM 0 HA GLU A 118 5.521 -3.801 -15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.767 -3.256 -14.439 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.470 -2.261 -15.698 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.927 -5.262 -15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.872 -4.008 -16.593 1.00 0.00 H new ATOM 102 N ARG A 119 4.658 -2.154 -13.004 1.00 0.00 N ATOM 103 CA ARG A 119 5.179 -1.139 -12.043 1.00 0.00 C ATOM 104 C ARG A 119 4.166 -0.922 -10.915 1.00 0.00 C ATOM 105 O ARG A 119 3.043 -1.381 -10.983 1.00 0.00 O ATOM 106 CB ARG A 119 5.345 0.140 -12.867 1.00 0.00 C ATOM 107 CG ARG A 119 6.832 0.412 -13.111 1.00 0.00 C ATOM 108 CD ARG A 119 7.580 0.429 -11.775 1.00 0.00 C ATOM 109 NE ARG A 119 8.694 -0.543 -11.946 1.00 0.00 N ATOM 110 CZ ARG A 119 9.879 -0.271 -11.471 1.00 0.00 C ATOM 111 NH1 ARG A 119 10.520 0.789 -11.884 1.00 0.00 N ATOM 112 NH2 ARG A 119 10.424 -1.059 -10.584 1.00 0.00 N ATOM 0 H ARG A 119 3.672 -2.390 -12.890 1.00 0.00 H new ATOM 0 HA ARG A 119 6.116 -1.447 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 119 4.823 0.040 -13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.893 0.982 -12.343 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.250 -0.355 -13.763 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.958 1.367 -13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.957 1.426 -11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.926 0.139 -10.953 1.00 0.00 H new ATOM 0 HE ARG A 119 8.531 -1.423 -12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.095 1.404 -12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.446 1.002 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.924 -1.888 -10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 119 11.350 -0.846 -10.213 1.00 0.00 H new ATOM 126 N ASP A 120 4.550 -0.225 -9.881 1.00 0.00 N ATOM 127 CA ASP A 120 3.602 0.020 -8.755 1.00 0.00 C ATOM 128 C ASP A 120 3.639 1.496 -8.350 1.00 0.00 C ATOM 129 O ASP A 120 2.615 2.131 -8.190 1.00 0.00 O ATOM 130 CB ASP A 120 4.103 -0.864 -7.612 1.00 0.00 C ATOM 131 CG ASP A 120 2.987 -1.049 -6.583 1.00 0.00 C ATOM 132 OD1 ASP A 120 1.899 -0.553 -6.821 1.00 0.00 O ATOM 133 OD2 ASP A 120 3.239 -1.686 -5.573 1.00 0.00 O ATOM 0 H ASP A 120 5.477 0.185 -9.766 1.00 0.00 H new ATOM 0 HA ASP A 120 2.571 -0.212 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.419 -1.833 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 120 4.974 -0.409 -7.141 1.00 0.00 H new ATOM 138 N SER A 121 4.810 2.046 -8.186 1.00 0.00 N ATOM 139 CA SER A 121 4.912 3.482 -7.795 1.00 0.00 C ATOM 140 C SER A 121 6.339 3.989 -8.018 1.00 0.00 C ATOM 141 O SER A 121 7.299 3.271 -7.824 1.00 0.00 O ATOM 142 CB SER A 121 4.554 3.516 -6.310 1.00 0.00 C ATOM 143 OG SER A 121 5.691 3.141 -5.544 1.00 0.00 O ATOM 0 H SER A 121 5.701 1.564 -8.306 1.00 0.00 H new ATOM 0 HA SER A 121 4.253 4.119 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.224 4.515 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 121 3.725 2.837 -6.108 1.00 0.00 H new ATOM 0 HG SER A 121 5.855 3.814 -4.850 1.00 0.00 H new ATOM 149 N THR A 122 6.484 5.219 -8.428 1.00 0.00 N ATOM 150 CA THR A 122 7.850 5.767 -8.667 1.00 0.00 C ATOM 151 C THR A 122 8.059 7.049 -7.857 1.00 0.00 C ATOM 152 O THR A 122 9.169 7.517 -7.693 1.00 0.00 O ATOM 153 CB THR A 122 7.900 6.064 -10.166 1.00 0.00 C ATOM 154 OG1 THR A 122 9.224 6.421 -10.533 1.00 0.00 O ATOM 155 CG2 THR A 122 6.950 7.218 -10.491 1.00 0.00 C ATOM 0 H THR A 122 5.718 5.868 -8.608 1.00 0.00 H new ATOM 0 HA THR A 122 8.632 5.072 -8.362 1.00 0.00 H new ATOM 0 HB THR A 122 7.595 5.178 -10.722 1.00 0.00 H new ATOM 0 HG1 THR A 122 9.257 6.610 -11.494 1.00 0.00 H new ATOM 0 HG21 THR A 122 6.986 7.429 -11.560 1.00 0.00 H new ATOM 0 HG22 THR A 122 5.934 6.943 -10.210 1.00 0.00 H new ATOM 0 HG23 THR A 122 7.252 8.106 -9.935 1.00 0.00 H new ATOM 163 N ASN A 123 7.002 7.623 -7.349 1.00 0.00 N ATOM 164 CA ASN A 123 7.145 8.874 -6.550 1.00 0.00 C ATOM 165 C ASN A 123 7.063 8.558 -5.054 1.00 0.00 C ATOM 166 O ASN A 123 8.061 8.513 -4.364 1.00 0.00 O ATOM 167 CB ASN A 123 5.969 9.755 -6.977 1.00 0.00 C ATOM 168 CG ASN A 123 6.497 11.086 -7.514 1.00 0.00 C ATOM 169 OD1 ASN A 123 6.918 11.938 -6.755 1.00 0.00 O ATOM 170 ND2 ASN A 123 6.493 11.304 -8.800 1.00 0.00 N ATOM 0 H ASN A 123 6.047 7.280 -7.452 1.00 0.00 H new ATOM 0 HA ASN A 123 8.104 9.364 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.381 9.249 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.306 9.930 -6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.843 12.188 -9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.140 10.590 -9.437 1.00 0.00 H new ATOM 177 N ARG A 124 5.880 8.339 -4.550 1.00 0.00 N ATOM 178 CA ARG A 124 5.732 8.026 -3.099 1.00 0.00 C ATOM 179 C ARG A 124 6.137 6.574 -2.829 1.00 0.00 C ATOM 180 O ARG A 124 5.700 5.662 -3.503 1.00 0.00 O ATOM 181 CB ARG A 124 4.247 8.232 -2.800 1.00 0.00 C ATOM 182 CG ARG A 124 4.043 9.591 -2.125 1.00 0.00 C ATOM 183 CD ARG A 124 3.468 10.584 -3.138 1.00 0.00 C ATOM 184 NE ARG A 124 1.990 10.490 -2.971 1.00 0.00 N ATOM 185 CZ ARG A 124 1.263 11.574 -2.973 1.00 0.00 C ATOM 186 NH1 ARG A 124 1.095 12.245 -4.079 1.00 0.00 N ATOM 187 NH2 ARG A 124 0.705 11.987 -1.868 1.00 0.00 N ATOM 0 H ARG A 124 5.009 8.363 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 124 6.365 8.655 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.670 8.183 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 124 3.882 7.435 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.367 9.489 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.991 9.961 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.824 11.596 -2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.768 10.329 -4.155 1.00 0.00 H new ATOM 0 HE ARG A 124 1.547 9.579 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.532 11.923 -4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.527 13.092 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.837 11.463 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.137 12.834 -1.869 1.00 0.00 H new ATOM 201 N ALA A 125 6.971 6.352 -1.848 1.00 0.00 N ATOM 202 CA ALA A 125 7.403 4.958 -1.539 1.00 0.00 C ATOM 203 C ALA A 125 7.864 4.853 -0.083 1.00 0.00 C ATOM 204 O ALA A 125 7.435 5.604 0.771 1.00 0.00 O ATOM 205 CB ALA A 125 8.566 4.684 -2.491 1.00 0.00 C ATOM 0 H ALA A 125 7.371 7.074 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 125 6.594 4.239 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.941 3.674 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.223 4.780 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.364 5.403 -2.306 1.00 0.00 H new ATOM 211 N SER A 126 8.733 3.923 0.205 1.00 0.00 N ATOM 212 CA SER A 126 9.217 3.766 1.607 1.00 0.00 C ATOM 213 C SER A 126 10.702 4.124 1.700 1.00 0.00 C ATOM 214 O SER A 126 11.455 3.939 0.765 1.00 0.00 O ATOM 215 CB SER A 126 9.001 2.290 1.936 1.00 0.00 C ATOM 216 OG SER A 126 7.646 1.946 1.681 1.00 0.00 O ATOM 0 H SER A 126 9.128 3.266 -0.468 1.00 0.00 H new ATOM 0 HA SER A 126 8.690 4.421 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.665 1.670 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.247 2.099 2.981 1.00 0.00 H new ATOM 0 HG SER A 126 7.504 0.999 1.889 1.00 0.00 H new ATOM 222 N PHE A 127 11.126 4.635 2.822 1.00 0.00 N ATOM 223 CA PHE A 127 12.560 5.006 2.978 1.00 0.00 C ATOM 224 C PHE A 127 13.165 4.272 4.176 1.00 0.00 C ATOM 225 O PHE A 127 12.512 4.050 5.176 1.00 0.00 O ATOM 226 CB PHE A 127 12.553 6.515 3.216 1.00 0.00 C ATOM 227 CG PHE A 127 11.679 7.175 2.179 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.290 7.205 2.351 1.00 0.00 C ATOM 229 CD2 PHE A 127 12.256 7.752 1.042 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.478 7.811 1.384 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.445 8.359 0.076 1.00 0.00 C ATOM 232 CZ PHE A 127 10.056 8.389 0.247 1.00 0.00 C ATOM 0 H PHE A 127 10.541 4.812 3.639 1.00 0.00 H new ATOM 0 HA PHE A 127 13.157 4.736 2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.181 6.736 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.568 6.909 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.845 6.761 3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.328 7.729 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.406 7.833 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.891 8.804 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.430 8.858 -0.498 1.00 0.00 H new ATOM 242 N LYS A 128 14.409 3.894 4.083 1.00 0.00 N ATOM 243 CA LYS A 128 15.055 3.177 5.212 1.00 0.00 C ATOM 244 C LYS A 128 16.255 3.977 5.725 1.00 0.00 C ATOM 245 O LYS A 128 16.955 4.620 4.969 1.00 0.00 O ATOM 246 CB LYS A 128 15.494 1.833 4.628 1.00 0.00 C ATOM 247 CG LYS A 128 16.438 1.119 5.603 1.00 0.00 C ATOM 248 CD LYS A 128 15.662 0.050 6.376 1.00 0.00 C ATOM 249 CE LYS A 128 16.343 -1.307 6.184 1.00 0.00 C ATOM 250 NZ LYS A 128 15.930 -2.115 7.364 1.00 0.00 N ATOM 0 H LYS A 128 15.006 4.052 3.271 1.00 0.00 H new ATOM 0 HA LYS A 128 14.385 3.043 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.621 1.210 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.995 1.989 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.263 0.661 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.875 1.839 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.626 0.305 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.632 0.006 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.028 -1.778 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.427 -1.202 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.358 -3.061 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.249 -1.645 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.894 -2.204 7.378 1.00 0.00 H new ATOM 264 N CYS A 129 16.487 3.943 7.007 1.00 0.00 N ATOM 265 CA CYS A 129 17.629 4.701 7.584 1.00 0.00 C ATOM 266 C CYS A 129 18.866 3.800 7.692 1.00 0.00 C ATOM 267 O CYS A 129 18.789 2.702 8.207 1.00 0.00 O ATOM 268 CB CYS A 129 17.143 5.120 8.968 1.00 0.00 C ATOM 269 SG CYS A 129 18.406 6.110 9.785 1.00 0.00 S ATOM 0 H CYS A 129 15.931 3.419 7.683 1.00 0.00 H new ATOM 0 HA CYS A 129 17.920 5.555 6.972 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.219 5.692 8.881 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.916 4.238 9.566 1.00 0.00 H new ATOM 274 N PRO A 130 19.965 4.294 7.188 1.00 0.00 N ATOM 275 CA PRO A 130 21.232 3.521 7.216 1.00 0.00 C ATOM 276 C PRO A 130 21.873 3.533 8.612 1.00 0.00 C ATOM 277 O PRO A 130 22.761 2.755 8.895 1.00 0.00 O ATOM 278 CB PRO A 130 22.117 4.255 6.213 1.00 0.00 C ATOM 279 CG PRO A 130 21.590 5.655 6.171 1.00 0.00 C ATOM 280 CD PRO A 130 20.130 5.604 6.547 1.00 0.00 C ATOM 0 HA PRO A 130 21.082 2.469 6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.162 4.237 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.069 3.787 5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.141 6.293 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.714 6.081 5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.866 6.415 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.490 5.701 5.670 1.00 0.00 H new ATOM 288 N VAL A 131 21.446 4.409 9.484 1.00 0.00 N ATOM 289 CA VAL A 131 22.059 4.449 10.845 1.00 0.00 C ATOM 290 C VAL A 131 21.293 3.547 11.814 1.00 0.00 C ATOM 291 O VAL A 131 21.760 2.490 12.192 1.00 0.00 O ATOM 292 CB VAL A 131 21.986 5.914 11.287 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.134 6.002 12.810 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.125 6.697 10.629 1.00 0.00 C ATOM 0 H VAL A 131 20.707 5.092 9.316 1.00 0.00 H new ATOM 0 HA VAL A 131 23.086 4.085 10.834 1.00 0.00 H new ATOM 0 HB VAL A 131 21.025 6.333 10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.082 7.045 13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.330 5.441 13.287 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.095 5.583 13.107 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.077 7.740 10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.082 6.271 10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.029 6.638 9.545 1.00 0.00 H new ATOM 304 N CYS A 132 20.126 3.953 12.230 1.00 0.00 N ATOM 305 CA CYS A 132 19.354 3.106 13.185 1.00 0.00 C ATOM 306 C CYS A 132 18.554 2.035 12.427 1.00 0.00 C ATOM 307 O CYS A 132 17.682 1.389 12.974 1.00 0.00 O ATOM 308 CB CYS A 132 18.449 4.074 13.954 1.00 0.00 C ATOM 309 SG CYS A 132 17.065 4.600 12.921 1.00 0.00 S ATOM 0 H CYS A 132 19.676 4.826 11.954 1.00 0.00 H new ATOM 0 HA CYS A 132 20.000 2.559 13.872 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.074 3.592 14.857 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.024 4.944 14.273 1.00 0.00 H new ATOM 314 N SER A 133 18.878 1.828 11.175 1.00 0.00 N ATOM 315 CA SER A 133 18.190 0.781 10.353 1.00 0.00 C ATOM 316 C SER A 133 16.668 0.853 10.481 1.00 0.00 C ATOM 317 O SER A 133 15.985 -0.149 10.399 1.00 0.00 O ATOM 318 CB SER A 133 18.710 -0.558 10.882 1.00 0.00 C ATOM 319 OG SER A 133 18.852 -0.495 12.295 1.00 0.00 O ATOM 0 H SER A 133 19.602 2.348 10.679 1.00 0.00 H new ATOM 0 HA SER A 133 18.403 0.921 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.021 -1.358 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.669 -0.794 10.421 1.00 0.00 H new ATOM 0 HG SER A 133 18.022 -0.157 12.692 1.00 0.00 H new ATOM 325 N SER A 134 16.125 2.022 10.651 1.00 0.00 N ATOM 326 CA SER A 134 14.646 2.139 10.747 1.00 0.00 C ATOM 327 C SER A 134 14.055 2.220 9.336 1.00 0.00 C ATOM 328 O SER A 134 14.746 2.016 8.358 1.00 0.00 O ATOM 329 CB SER A 134 14.400 3.435 11.512 1.00 0.00 C ATOM 330 OG SER A 134 14.436 3.172 12.909 1.00 0.00 O ATOM 0 H SER A 134 16.639 2.900 10.728 1.00 0.00 H new ATOM 0 HA SER A 134 14.184 1.288 11.247 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.157 4.174 11.250 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.434 3.856 11.235 1.00 0.00 H new ATOM 0 HG SER A 134 13.962 3.883 13.388 1.00 0.00 H new ATOM 336 N THR A 135 12.791 2.517 9.213 1.00 0.00 N ATOM 337 CA THR A 135 12.189 2.608 7.850 1.00 0.00 C ATOM 338 C THR A 135 10.928 3.474 7.873 1.00 0.00 C ATOM 339 O THR A 135 10.362 3.741 8.915 1.00 0.00 O ATOM 340 CB THR A 135 11.847 1.169 7.466 1.00 0.00 C ATOM 341 OG1 THR A 135 12.888 0.305 7.900 1.00 0.00 O ATOM 342 CG2 THR A 135 11.697 1.070 5.946 1.00 0.00 C ATOM 0 H THR A 135 12.153 2.699 9.988 1.00 0.00 H new ATOM 0 HA THR A 135 12.870 3.069 7.135 1.00 0.00 H new ATOM 0 HB THR A 135 10.911 0.876 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.670 -0.619 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.453 0.044 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.899 1.734 5.615 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.632 1.361 5.468 1.00 0.00 H new ATOM 350 N PHE A 136 10.483 3.914 6.728 1.00 0.00 N ATOM 351 CA PHE A 136 9.259 4.764 6.678 1.00 0.00 C ATOM 352 C PHE A 136 8.518 4.563 5.355 1.00 0.00 C ATOM 353 O PHE A 136 9.041 4.000 4.414 1.00 0.00 O ATOM 354 CB PHE A 136 9.767 6.203 6.776 1.00 0.00 C ATOM 355 CG PHE A 136 10.788 6.312 7.881 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.369 6.394 9.213 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.153 6.335 7.573 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.316 6.501 10.238 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.101 6.441 8.598 1.00 0.00 C ATOM 360 CZ PHE A 136 12.681 6.524 9.931 1.00 0.00 C ATOM 0 H PHE A 136 10.914 3.722 5.824 1.00 0.00 H new ATOM 0 HA PHE A 136 8.562 4.514 7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.210 6.507 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.935 6.879 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.316 6.375 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.475 6.271 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.993 6.566 11.267 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.154 6.459 8.361 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.411 6.606 10.723 1.00 0.00 H new ATOM 370 N THR A 137 7.305 5.034 5.278 1.00 0.00 N ATOM 371 CA THR A 137 6.518 4.893 4.020 1.00 0.00 C ATOM 372 C THR A 137 6.142 6.282 3.498 1.00 0.00 C ATOM 373 O THR A 137 6.520 7.287 4.066 1.00 0.00 O ATOM 374 CB THR A 137 5.267 4.109 4.422 1.00 0.00 C ATOM 375 OG1 THR A 137 5.099 4.178 5.830 1.00 0.00 O ATOM 376 CG2 THR A 137 5.421 2.649 3.996 1.00 0.00 C ATOM 0 H THR A 137 6.821 5.514 6.037 1.00 0.00 H new ATOM 0 HA THR A 137 7.071 4.387 3.229 1.00 0.00 H new ATOM 0 HB THR A 137 4.394 4.539 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.517 3.447 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.530 2.090 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.550 2.597 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.293 2.217 4.487 1.00 0.00 H new ATOM 384 N ASP A 138 5.405 6.353 2.426 1.00 0.00 N ATOM 385 CA ASP A 138 5.019 7.689 1.888 1.00 0.00 C ATOM 386 C ASP A 138 4.334 8.518 2.977 1.00 0.00 C ATOM 387 O ASP A 138 4.647 9.676 3.174 1.00 0.00 O ATOM 388 CB ASP A 138 4.053 7.402 0.737 1.00 0.00 C ATOM 389 CG ASP A 138 3.066 6.309 1.150 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.437 5.148 1.087 1.00 0.00 O ATOM 391 OD2 ASP A 138 1.956 6.651 1.523 1.00 0.00 O ATOM 0 H ASP A 138 5.055 5.551 1.901 1.00 0.00 H new ATOM 0 HA ASP A 138 5.884 8.260 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.513 8.310 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.609 7.088 -0.147 1.00 0.00 H new ATOM 396 N LEU A 139 3.408 7.939 3.693 1.00 0.00 N ATOM 397 CA LEU A 139 2.720 8.708 4.770 1.00 0.00 C ATOM 398 C LEU A 139 3.764 9.306 5.718 1.00 0.00 C ATOM 399 O LEU A 139 3.504 10.257 6.428 1.00 0.00 O ATOM 400 CB LEU A 139 1.836 7.688 5.496 1.00 0.00 C ATOM 401 CG LEU A 139 2.684 6.847 6.454 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.439 7.310 7.893 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.290 5.375 6.321 1.00 0.00 C ATOM 0 H LEU A 139 3.100 6.973 3.580 1.00 0.00 H new ATOM 0 HA LEU A 139 2.127 9.536 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.051 8.204 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.342 7.041 4.771 1.00 0.00 H new ATOM 0 HG LEU A 139 3.739 6.967 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.042 6.712 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.716 8.360 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.384 7.189 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.893 4.774 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.235 5.257 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.461 5.044 5.297 1.00 0.00 H new ATOM 415 N GLU A 140 4.948 8.758 5.723 1.00 0.00 N ATOM 416 CA GLU A 140 6.018 9.294 6.612 1.00 0.00 C ATOM 417 C GLU A 140 6.925 10.234 5.815 1.00 0.00 C ATOM 418 O GLU A 140 7.630 11.054 6.369 1.00 0.00 O ATOM 419 CB GLU A 140 6.799 8.065 7.084 1.00 0.00 C ATOM 420 CG GLU A 140 5.928 7.239 8.033 1.00 0.00 C ATOM 421 CD GLU A 140 6.577 7.200 9.417 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.290 8.135 9.743 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.350 6.235 10.130 1.00 0.00 O ATOM 0 H GLU A 140 5.221 7.961 5.149 1.00 0.00 H new ATOM 0 HA GLU A 140 5.618 9.863 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.097 7.460 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.714 8.375 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.931 7.674 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.809 6.227 7.647 1.00 0.00 H new ATOM 430 N ALA A 141 6.908 10.121 4.513 1.00 0.00 N ATOM 431 CA ALA A 141 7.764 11.005 3.673 1.00 0.00 C ATOM 432 C ALA A 141 7.401 12.474 3.913 1.00 0.00 C ATOM 433 O ALA A 141 8.241 13.349 3.848 1.00 0.00 O ATOM 434 CB ALA A 141 7.450 10.602 2.230 1.00 0.00 C ATOM 0 H ALA A 141 6.337 9.453 3.995 1.00 0.00 H new ATOM 0 HA ALA A 141 8.824 10.898 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 141 8.042 11.209 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.694 9.549 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.390 10.760 2.031 1.00 0.00 H new ATOM 440 N ASN A 142 6.156 12.748 4.194 1.00 0.00 N ATOM 441 CA ASN A 142 5.740 14.160 4.440 1.00 0.00 C ATOM 442 C ASN A 142 6.245 14.629 5.807 1.00 0.00 C ATOM 443 O ASN A 142 6.706 15.743 5.960 1.00 0.00 O ATOM 444 CB ASN A 142 4.211 14.131 4.415 1.00 0.00 C ATOM 445 CG ASN A 142 3.733 13.482 3.114 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.531 13.130 2.268 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.455 13.309 2.918 1.00 0.00 N ATOM 0 H ASN A 142 5.409 12.057 4.264 1.00 0.00 H new ATOM 0 HA ASN A 142 6.148 14.847 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.833 13.573 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.816 15.144 4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.125 12.878 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.785 13.605 3.628 1.00 0.00 H new ATOM 454 N GLN A 143 6.159 13.790 6.804 1.00 0.00 N ATOM 455 CA GLN A 143 6.631 14.191 8.160 1.00 0.00 C ATOM 456 C GLN A 143 8.140 13.964 8.288 1.00 0.00 C ATOM 457 O GLN A 143 8.752 14.331 9.273 1.00 0.00 O ATOM 458 CB GLN A 143 5.867 13.287 9.129 1.00 0.00 C ATOM 459 CG GLN A 143 6.410 11.860 9.035 1.00 0.00 C ATOM 460 CD GLN A 143 5.635 10.956 9.996 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.217 10.321 10.853 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.338 10.870 9.890 1.00 0.00 N ATOM 0 H GLN A 143 5.782 12.844 6.738 1.00 0.00 H new ATOM 0 HA GLN A 143 6.454 15.247 8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.970 13.660 10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.803 13.299 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.315 11.490 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.472 11.846 9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.849 11.403 9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 143 3.813 10.270 10.526 1.00 0.00 H new ATOM 471 N LEU A 144 8.746 13.361 7.302 1.00 0.00 N ATOM 472 CA LEU A 144 10.215 13.111 7.369 1.00 0.00 C ATOM 473 C LEU A 144 10.945 13.954 6.319 1.00 0.00 C ATOM 474 O LEU A 144 12.129 14.209 6.428 1.00 0.00 O ATOM 475 CB LEU A 144 10.377 11.621 7.064 1.00 0.00 C ATOM 476 CG LEU A 144 9.778 10.798 8.204 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.115 9.321 7.997 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.366 11.271 9.535 1.00 0.00 C ATOM 0 H LEU A 144 8.288 13.030 6.453 1.00 0.00 H new ATOM 0 HA LEU A 144 10.635 13.378 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.881 11.375 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.432 11.377 6.941 1.00 0.00 H new ATOM 0 HG LEU A 144 8.696 10.926 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.688 8.733 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.700 8.983 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.197 9.193 7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.940 10.685 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.448 11.141 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.129 12.325 9.683 1.00 0.00 H new ATOM 490 N PHE A 145 10.251 14.381 5.302 1.00 0.00 N ATOM 491 CA PHE A 145 10.907 15.201 4.243 1.00 0.00 C ATOM 492 C PHE A 145 11.272 16.587 4.784 1.00 0.00 C ATOM 493 O PHE A 145 10.512 17.204 5.504 1.00 0.00 O ATOM 494 CB PHE A 145 9.864 15.318 3.132 1.00 0.00 C ATOM 495 CG PHE A 145 10.368 16.257 2.064 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.212 17.639 2.216 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.993 15.744 0.920 1.00 0.00 C ATOM 498 CE1 PHE A 145 10.680 18.509 1.226 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.460 16.615 -0.071 1.00 0.00 C ATOM 500 CZ PHE A 145 11.304 17.997 0.082 1.00 0.00 C ATOM 0 H PHE A 145 9.258 14.198 5.157 1.00 0.00 H new ATOM 0 HA PHE A 145 11.834 14.749 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.663 14.336 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.923 15.686 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 145 9.730 18.034 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.114 14.677 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.560 19.576 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 145 11.941 16.220 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.665 18.669 -0.683 1.00 0.00 H new ATOM 510 N ASP A 146 12.430 17.081 4.436 1.00 0.00 N ATOM 511 CA ASP A 146 12.845 18.428 4.924 1.00 0.00 C ATOM 512 C ASP A 146 13.421 19.253 3.770 1.00 0.00 C ATOM 513 O ASP A 146 14.170 18.747 2.958 1.00 0.00 O ATOM 514 CB ASP A 146 13.919 18.155 5.976 1.00 0.00 C ATOM 515 CG ASP A 146 13.253 17.785 7.302 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.130 18.210 7.517 1.00 0.00 O ATOM 517 OD2 ASP A 146 13.876 17.082 8.080 1.00 0.00 O ATOM 0 H ASP A 146 13.106 16.610 3.835 1.00 0.00 H new ATOM 0 HA ASP A 146 12.009 18.995 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.569 17.345 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.548 19.036 6.106 1.00 0.00 H new ATOM 522 N PRO A 147 13.045 20.502 3.738 1.00 0.00 N ATOM 523 CA PRO A 147 13.527 21.415 2.672 1.00 0.00 C ATOM 524 C PRO A 147 14.997 21.782 2.900 1.00 0.00 C ATOM 525 O PRO A 147 15.764 21.913 1.968 1.00 0.00 O ATOM 526 CB PRO A 147 12.632 22.642 2.824 1.00 0.00 C ATOM 527 CG PRO A 147 12.177 22.619 4.249 1.00 0.00 C ATOM 528 CD PRO A 147 12.145 21.175 4.680 1.00 0.00 C ATOM 0 HA PRO A 147 13.477 20.974 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.178 23.558 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.785 22.599 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.855 23.194 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.190 23.072 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.485 21.058 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.136 20.766 4.629 1.00 0.00 H new ATOM 536 N MET A 148 15.393 21.950 4.132 1.00 0.00 N ATOM 537 CA MET A 148 16.813 22.311 4.415 1.00 0.00 C ATOM 538 C MET A 148 17.758 21.338 3.704 1.00 0.00 C ATOM 539 O MET A 148 18.888 21.664 3.403 1.00 0.00 O ATOM 540 CB MET A 148 16.958 22.193 5.932 1.00 0.00 C ATOM 541 CG MET A 148 16.391 20.850 6.397 1.00 0.00 C ATOM 542 SD MET A 148 17.411 20.195 7.741 1.00 0.00 S ATOM 543 CE MET A 148 16.224 18.977 8.358 1.00 0.00 C ATOM 0 H MET A 148 14.797 21.853 4.954 1.00 0.00 H new ATOM 0 HA MET A 148 17.064 23.311 4.060 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.008 22.274 6.215 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.431 23.011 6.423 1.00 0.00 H new ATOM 0 HG2 MET A 148 15.362 20.975 6.735 1.00 0.00 H new ATOM 0 HG3 MET A 148 16.370 20.145 5.566 1.00 0.00 H new ATOM 0 HE1 MET A 148 16.541 18.625 9.340 1.00 0.00 H new ATOM 0 HE2 MET A 148 15.239 19.437 8.438 1.00 0.00 H new ATOM 0 HE3 MET A 148 16.176 18.134 7.668 1.00 0.00 H new ATOM 553 N THR A 149 17.304 20.145 3.434 1.00 0.00 N ATOM 554 CA THR A 149 18.178 19.155 2.741 1.00 0.00 C ATOM 555 C THR A 149 17.479 18.618 1.491 1.00 0.00 C ATOM 556 O THR A 149 18.069 17.922 0.688 1.00 0.00 O ATOM 557 CB THR A 149 18.397 18.036 3.761 1.00 0.00 C ATOM 558 OG1 THR A 149 19.216 17.028 3.186 1.00 0.00 O ATOM 559 CG2 THR A 149 17.047 17.436 4.159 1.00 0.00 C ATOM 0 H THR A 149 16.367 19.813 3.663 1.00 0.00 H new ATOM 0 HA THR A 149 19.120 19.593 2.412 1.00 0.00 H new ATOM 0 HB THR A 149 18.887 18.440 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.675 16.464 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.203 16.639 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.420 18.211 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.555 17.030 3.275 1.00 0.00 H new ATOM 567 N GLY A 150 16.225 18.936 1.317 1.00 0.00 N ATOM 568 CA GLY A 150 15.491 18.444 0.118 1.00 0.00 C ATOM 569 C GLY A 150 15.441 16.916 0.140 1.00 0.00 C ATOM 570 O GLY A 150 15.486 16.268 -0.886 1.00 0.00 O ATOM 0 H GLY A 150 15.678 19.515 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.480 18.851 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.985 18.789 -0.790 1.00 0.00 H new ATOM 574 N THR A 151 15.349 16.334 1.304 1.00 0.00 N ATOM 575 CA THR A 151 15.295 14.845 1.392 1.00 0.00 C ATOM 576 C THR A 151 14.489 14.424 2.621 1.00 0.00 C ATOM 577 O THR A 151 13.829 15.228 3.248 1.00 0.00 O ATOM 578 CB THR A 151 16.754 14.394 1.527 1.00 0.00 C ATOM 579 OG1 THR A 151 17.605 15.532 1.565 1.00 0.00 O ATOM 580 CG2 THR A 151 17.130 13.513 0.334 1.00 0.00 C ATOM 0 H THR A 151 15.309 16.824 2.198 1.00 0.00 H new ATOM 0 HA THR A 151 14.814 14.398 0.522 1.00 0.00 H new ATOM 0 HB THR A 151 16.872 13.825 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.508 16.041 0.733 1.00 0.00 H new ATOM 0 HG21 THR A 151 18.167 13.193 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.481 12.638 0.309 1.00 0.00 H new ATOM 0 HG23 THR A 151 17.010 14.080 -0.589 1.00 0.00 H new ATOM 588 N PHE A 152 14.538 13.168 2.975 1.00 0.00 N ATOM 589 CA PHE A 152 13.775 12.702 4.166 1.00 0.00 C ATOM 590 C PHE A 152 14.733 12.431 5.328 1.00 0.00 C ATOM 591 O PHE A 152 15.682 11.682 5.201 1.00 0.00 O ATOM 592 CB PHE A 152 13.093 11.409 3.720 1.00 0.00 C ATOM 593 CG PHE A 152 12.173 11.698 2.560 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.670 11.683 1.251 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.821 11.981 2.791 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.816 11.950 0.175 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.967 12.249 1.714 1.00 0.00 C ATOM 598 CZ PHE A 152 10.465 12.233 0.406 1.00 0.00 C ATOM 0 H PHE A 152 15.073 12.446 2.491 1.00 0.00 H new ATOM 0 HA PHE A 152 13.054 13.442 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.842 10.672 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.528 10.979 4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.713 11.465 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.437 11.993 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.200 11.938 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.925 12.468 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.807 12.439 -0.425 1.00 0.00 H new ATOM 608 N ARG A 153 14.495 13.036 6.459 1.00 0.00 N ATOM 609 CA ARG A 153 15.398 12.810 7.622 1.00 0.00 C ATOM 610 C ARG A 153 14.749 11.856 8.624 1.00 0.00 C ATOM 611 O ARG A 153 13.568 11.935 8.901 1.00 0.00 O ATOM 612 CB ARG A 153 15.601 14.188 8.252 1.00 0.00 C ATOM 613 CG ARG A 153 16.758 14.904 7.554 1.00 0.00 C ATOM 614 CD ARG A 153 17.658 15.561 8.601 1.00 0.00 C ATOM 615 NE ARG A 153 18.800 16.125 7.828 1.00 0.00 N ATOM 616 CZ ARG A 153 19.977 15.567 7.902 1.00 0.00 C ATOM 617 NH1 ARG A 153 20.480 15.260 9.066 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.651 15.318 6.813 1.00 0.00 N ATOM 0 H ARG A 153 13.718 13.674 6.628 1.00 0.00 H new ATOM 0 HA ARG A 153 16.343 12.359 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.689 14.778 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.812 14.085 9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.333 14.194 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.372 15.657 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.126 16.341 9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 153 18.001 14.835 9.338 1.00 0.00 H new ATOM 0 HE ARG A 153 18.662 16.947 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.953 15.456 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.400 14.824 9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.258 15.560 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.571 14.882 6.871 1.00 0.00 H new ATOM 632 N CYS A 154 15.519 10.964 9.176 1.00 0.00 N ATOM 633 CA CYS A 154 14.968 10.003 10.171 1.00 0.00 C ATOM 634 C CYS A 154 14.116 10.752 11.202 1.00 0.00 C ATOM 635 O CYS A 154 14.032 11.964 11.186 1.00 0.00 O ATOM 636 CB CYS A 154 16.207 9.397 10.825 1.00 0.00 C ATOM 637 SG CYS A 154 15.758 7.919 11.761 1.00 0.00 S ATOM 0 H CYS A 154 16.514 10.858 8.980 1.00 0.00 H new ATOM 0 HA CYS A 154 14.324 9.245 9.726 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.943 9.144 10.062 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.672 10.128 11.486 1.00 0.00 H new ATOM 642 N THR A 155 13.481 10.045 12.098 1.00 0.00 N ATOM 643 CA THR A 155 12.637 10.733 13.120 1.00 0.00 C ATOM 644 C THR A 155 13.152 10.437 14.532 1.00 0.00 C ATOM 645 O THR A 155 12.834 11.135 15.474 1.00 0.00 O ATOM 646 CB THR A 155 11.227 10.163 12.934 1.00 0.00 C ATOM 647 OG1 THR A 155 11.217 9.255 11.840 1.00 0.00 O ATOM 648 CG2 THR A 155 10.247 11.306 12.660 1.00 0.00 C ATOM 0 H THR A 155 13.509 9.028 12.167 1.00 0.00 H new ATOM 0 HA THR A 155 12.657 11.816 12.998 1.00 0.00 H new ATOM 0 HB THR A 155 10.928 9.637 13.840 1.00 0.00 H new ATOM 0 HG1 THR A 155 11.365 8.344 12.170 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.244 10.901 12.528 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.251 11.998 13.502 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.548 11.834 11.755 1.00 0.00 H new ATOM 656 N PHE A 156 13.945 9.413 14.692 1.00 0.00 N ATOM 657 CA PHE A 156 14.471 9.091 16.051 1.00 0.00 C ATOM 658 C PHE A 156 15.978 9.339 16.103 1.00 0.00 C ATOM 659 O PHE A 156 16.503 9.820 17.088 1.00 0.00 O ATOM 660 CB PHE A 156 14.158 7.610 16.328 1.00 0.00 C ATOM 661 CG PHE A 156 13.577 6.925 15.110 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.406 6.571 14.042 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.206 6.647 15.054 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.866 5.940 12.917 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.664 6.015 13.929 1.00 0.00 C ATOM 666 CZ PHE A 156 12.495 5.661 12.860 1.00 0.00 C ATOM 0 H PHE A 156 14.251 8.788 13.946 1.00 0.00 H new ATOM 0 HA PHE A 156 14.005 9.724 16.806 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.069 7.096 16.635 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.455 7.535 17.158 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.464 6.785 14.086 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.566 6.921 15.880 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.507 5.668 12.091 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.606 5.801 13.886 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.079 5.173 11.991 1.00 0.00 H new ATOM 676 N CYS A 157 16.678 9.025 15.051 1.00 0.00 N ATOM 677 CA CYS A 157 18.148 9.257 15.045 1.00 0.00 C ATOM 678 C CYS A 157 18.503 10.315 13.980 1.00 0.00 C ATOM 679 O CYS A 157 19.652 10.529 13.648 1.00 0.00 O ATOM 680 CB CYS A 157 18.763 7.868 14.776 1.00 0.00 C ATOM 681 SG CYS A 157 19.283 7.682 13.052 1.00 0.00 S ATOM 0 H CYS A 157 16.297 8.619 14.196 1.00 0.00 H new ATOM 0 HA CYS A 157 18.538 9.659 15.980 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.620 7.717 15.432 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.035 7.095 15.021 1.00 0.00 H new ATOM 686 N HIS A 158 17.501 10.994 13.481 1.00 0.00 N ATOM 687 CA HIS A 158 17.711 12.077 12.467 1.00 0.00 C ATOM 688 C HIS A 158 18.785 11.733 11.428 1.00 0.00 C ATOM 689 O HIS A 158 19.439 12.611 10.901 1.00 0.00 O ATOM 690 CB HIS A 158 18.132 13.295 13.289 1.00 0.00 C ATOM 691 CG HIS A 158 16.958 13.768 14.102 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.218 14.887 13.751 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.379 13.279 15.246 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.244 15.031 14.668 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.297 14.079 15.602 1.00 0.00 N ATOM 0 H HIS A 158 16.526 10.841 13.738 1.00 0.00 H new ATOM 0 HA HIS A 158 16.804 12.240 11.884 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.964 13.037 13.944 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.479 14.091 12.631 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.712 12.406 15.788 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.508 15.821 14.650 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.678 13.963 16.404 1.00 0.00 H new ATOM 703 N THR A 159 18.962 10.485 11.098 1.00 0.00 N ATOM 704 CA THR A 159 19.979 10.147 10.061 1.00 0.00 C ATOM 705 C THR A 159 19.321 10.187 8.679 1.00 0.00 C ATOM 706 O THR A 159 18.181 9.802 8.515 1.00 0.00 O ATOM 707 CB THR A 159 20.442 8.730 10.393 1.00 0.00 C ATOM 708 OG1 THR A 159 21.300 8.769 11.524 1.00 0.00 O ATOM 709 CG2 THR A 159 21.195 8.137 9.197 1.00 0.00 C ATOM 0 H THR A 159 18.455 9.693 11.494 1.00 0.00 H new ATOM 0 HA THR A 159 20.816 10.846 10.050 1.00 0.00 H new ATOM 0 HB THR A 159 19.575 8.108 10.613 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.766 8.905 12.335 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.523 7.126 9.439 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.535 8.107 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.063 8.756 8.970 1.00 0.00 H new ATOM 717 N GLU A 160 20.024 10.649 7.683 1.00 0.00 N ATOM 718 CA GLU A 160 19.428 10.707 6.318 1.00 0.00 C ATOM 719 C GLU A 160 18.919 9.322 5.905 1.00 0.00 C ATOM 720 O GLU A 160 19.664 8.363 5.871 1.00 0.00 O ATOM 721 CB GLU A 160 20.571 11.153 5.407 1.00 0.00 C ATOM 722 CG GLU A 160 20.032 11.412 3.998 1.00 0.00 C ATOM 723 CD GLU A 160 21.087 11.012 2.966 1.00 0.00 C ATOM 724 OE1 GLU A 160 22.045 10.361 3.350 1.00 0.00 O ATOM 725 OE2 GLU A 160 20.921 11.363 1.810 1.00 0.00 O ATOM 0 H GLU A 160 20.983 10.988 7.754 1.00 0.00 H new ATOM 0 HA GLU A 160 18.577 11.386 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.033 12.057 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.345 10.387 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.117 10.843 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.777 12.465 3.883 1.00 0.00 H new ATOM 732 N VAL A 161 17.656 9.209 5.592 1.00 0.00 N ATOM 733 CA VAL A 161 17.107 7.883 5.183 1.00 0.00 C ATOM 734 C VAL A 161 17.343 7.649 3.690 1.00 0.00 C ATOM 735 O VAL A 161 17.884 8.488 2.997 1.00 0.00 O ATOM 736 CB VAL A 161 15.608 7.959 5.476 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.383 8.154 6.976 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.999 9.137 4.714 1.00 0.00 C ATOM 0 H VAL A 161 16.982 9.975 5.602 1.00 0.00 H new ATOM 0 HA VAL A 161 17.586 7.062 5.717 1.00 0.00 H new ATOM 0 HB VAL A 161 15.132 7.031 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.314 8.208 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.814 7.314 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.860 9.079 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.931 9.192 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.479 10.063 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.153 8.997 3.644 1.00 0.00 H new ATOM 748 N GLU A 162 16.937 6.516 3.190 1.00 0.00 N ATOM 749 CA GLU A 162 17.130 6.223 1.741 1.00 0.00 C ATOM 750 C GLU A 162 15.929 5.444 1.202 1.00 0.00 C ATOM 751 O GLU A 162 15.335 4.646 1.898 1.00 0.00 O ATOM 752 CB GLU A 162 18.395 5.367 1.672 1.00 0.00 C ATOM 753 CG GLU A 162 19.627 6.256 1.852 1.00 0.00 C ATOM 754 CD GLU A 162 20.833 5.388 2.214 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.739 4.652 3.183 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.831 5.473 1.518 1.00 0.00 O ATOM 0 H GLU A 162 16.478 5.777 3.723 1.00 0.00 H new ATOM 0 HA GLU A 162 17.221 7.130 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.371 4.601 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.444 4.850 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.826 6.810 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.447 6.992 2.636 1.00 0.00 H new ATOM 763 N GLU A 163 15.566 5.661 -0.032 1.00 0.00 N ATOM 764 CA GLU A 163 14.404 4.921 -0.602 1.00 0.00 C ATOM 765 C GLU A 163 14.561 3.422 -0.341 1.00 0.00 C ATOM 766 O GLU A 163 15.571 2.830 -0.667 1.00 0.00 O ATOM 767 CB GLU A 163 14.444 5.206 -2.103 1.00 0.00 C ATOM 768 CG GLU A 163 14.269 6.706 -2.345 1.00 0.00 C ATOM 769 CD GLU A 163 14.989 7.100 -3.635 1.00 0.00 C ATOM 770 OE1 GLU A 163 15.655 6.249 -4.202 1.00 0.00 O ATOM 771 OE2 GLU A 163 14.864 8.246 -4.033 1.00 0.00 O ATOM 0 H GLU A 163 16.021 6.316 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 163 13.459 5.230 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.391 4.868 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.655 4.651 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 163 13.210 6.953 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 163 14.671 7.271 -1.504 1.00 0.00 H new ATOM 778 N ASP A 164 13.575 2.804 0.246 1.00 0.00 N ATOM 779 CA ASP A 164 13.675 1.344 0.526 1.00 0.00 C ATOM 780 C ASP A 164 13.356 0.537 -0.736 1.00 0.00 C ATOM 781 O ASP A 164 12.220 0.453 -1.159 1.00 0.00 O ATOM 782 CB ASP A 164 12.632 1.075 1.611 1.00 0.00 C ATOM 783 CG ASP A 164 12.402 -0.432 1.737 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.270 -1.181 1.320 1.00 0.00 O ATOM 785 OD2 ASP A 164 11.361 -0.812 2.249 1.00 0.00 O ATOM 0 H ASP A 164 12.705 3.246 0.544 1.00 0.00 H new ATOM 0 HA ASP A 164 14.677 1.054 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 164 12.970 1.483 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 164 11.697 1.577 1.363 1.00 0.00 H new ATOM 790 N GLU A 165 14.349 -0.059 -1.338 1.00 0.00 N ATOM 791 CA GLU A 165 14.098 -0.864 -2.567 1.00 0.00 C ATOM 792 C GLU A 165 13.835 -2.323 -2.191 1.00 0.00 C ATOM 793 O GLU A 165 13.810 -3.199 -3.032 1.00 0.00 O ATOM 794 CB GLU A 165 15.381 -0.742 -3.391 1.00 0.00 C ATOM 795 CG GLU A 165 15.599 0.721 -3.781 1.00 0.00 C ATOM 796 CD GLU A 165 14.854 1.020 -5.083 1.00 0.00 C ATOM 797 OE1 GLU A 165 14.360 0.081 -5.687 1.00 0.00 O ATOM 798 OE2 GLU A 165 14.788 2.180 -5.453 1.00 0.00 O ATOM 0 H GLU A 165 15.322 -0.023 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 165 13.227 -0.516 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 165 16.232 -1.107 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.312 -1.362 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 165 15.242 1.377 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 165 16.663 0.920 -3.905 1.00 0.00 H new ATOM 805 N SER A 166 13.639 -2.590 -0.929 1.00 0.00 N ATOM 806 CA SER A 166 13.378 -3.991 -0.492 1.00 0.00 C ATOM 807 C SER A 166 11.914 -4.149 -0.069 1.00 0.00 C ATOM 808 O SER A 166 11.085 -4.605 -0.830 1.00 0.00 O ATOM 809 CB SER A 166 14.309 -4.213 0.699 1.00 0.00 C ATOM 810 OG SER A 166 15.419 -5.001 0.287 1.00 0.00 O ATOM 0 H SER A 166 13.648 -1.897 -0.180 1.00 0.00 H new ATOM 0 HA SER A 166 13.557 -4.713 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 166 14.653 -3.255 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 166 13.773 -4.713 1.506 1.00 0.00 H new ATOM 0 HG SER A 166 16.019 -5.144 1.048 1.00 0.00 H new ATOM 816 N ALA A 167 11.593 -3.774 1.140 1.00 0.00 N ATOM 817 CA ALA A 167 10.184 -3.903 1.610 1.00 0.00 C ATOM 818 C ALA A 167 9.653 -5.308 1.315 1.00 0.00 C ATOM 819 O ALA A 167 10.403 -6.260 1.221 1.00 0.00 O ATOM 820 CB ALA A 167 9.403 -2.857 0.817 1.00 0.00 C ATOM 0 H ALA A 167 12.245 -3.385 1.821 1.00 0.00 H new ATOM 0 HA ALA A 167 10.093 -3.750 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 167 8.353 -2.890 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 167 9.807 -1.866 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 167 9.491 -3.068 -0.249 1.00 0.00 H new ATOM 826 N MET A 168 8.363 -5.445 1.167 1.00 0.00 N ATOM 827 CA MET A 168 7.781 -6.787 0.876 1.00 0.00 C ATOM 828 C MET A 168 8.056 -7.749 2.035 1.00 0.00 C ATOM 829 O MET A 168 8.702 -8.764 1.860 1.00 0.00 O ATOM 830 CB MET A 168 8.484 -7.262 -0.393 1.00 0.00 C ATOM 831 CG MET A 168 7.529 -7.140 -1.580 1.00 0.00 C ATOM 832 SD MET A 168 8.482 -7.078 -3.118 1.00 0.00 S ATOM 833 CE MET A 168 7.462 -8.237 -4.062 1.00 0.00 C ATOM 0 H MET A 168 7.686 -4.685 1.235 1.00 0.00 H new ATOM 0 HA MET A 168 6.699 -6.745 0.749 1.00 0.00 H new ATOM 0 HB2 MET A 168 9.379 -6.666 -0.570 1.00 0.00 H new ATOM 0 HB3 MET A 168 8.807 -8.297 -0.277 1.00 0.00 H new ATOM 0 HG2 MET A 168 6.844 -7.988 -1.598 1.00 0.00 H new ATOM 0 HG3 MET A 168 6.921 -6.241 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 168 7.875 -8.352 -5.064 1.00 0.00 H new ATOM 0 HE2 MET A 168 7.452 -9.205 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 168 6.444 -7.853 -4.131 1.00 0.00 H new ATOM 843 N PRO A 169 7.548 -7.396 3.184 1.00 0.00 N ATOM 844 CA PRO A 169 7.732 -8.238 4.388 1.00 0.00 C ATOM 845 C PRO A 169 6.820 -9.467 4.320 1.00 0.00 C ATOM 846 O PRO A 169 7.201 -10.507 3.820 1.00 0.00 O ATOM 847 CB PRO A 169 7.323 -7.317 5.533 1.00 0.00 C ATOM 848 CG PRO A 169 6.395 -6.314 4.921 1.00 0.00 C ATOM 849 CD PRO A 169 6.763 -6.190 3.463 1.00 0.00 C ATOM 0 HA PRO A 169 8.747 -8.619 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 169 6.830 -7.875 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 169 8.192 -6.830 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 169 5.359 -6.634 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 169 6.486 -5.351 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 169 5.876 -6.138 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 169 7.342 -5.286 3.274 1.00 0.00 H new ATOM 857 N LYS A 170 5.616 -9.354 4.814 1.00 0.00 N ATOM 858 CA LYS A 170 4.682 -10.515 4.771 1.00 0.00 C ATOM 859 C LYS A 170 4.628 -11.093 3.354 1.00 0.00 C ATOM 860 O LYS A 170 5.126 -10.503 2.415 1.00 0.00 O ATOM 861 CB LYS A 170 3.321 -9.943 5.171 1.00 0.00 C ATOM 862 CG LYS A 170 3.282 -9.726 6.684 1.00 0.00 C ATOM 863 CD LYS A 170 2.266 -8.631 7.016 1.00 0.00 C ATOM 864 CE LYS A 170 1.739 -8.838 8.437 1.00 0.00 C ATOM 865 NZ LYS A 170 1.108 -7.541 8.807 1.00 0.00 N ATOM 0 H LYS A 170 5.240 -8.509 5.245 1.00 0.00 H new ATOM 0 HA LYS A 170 4.993 -11.323 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 170 3.145 -9.000 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 170 2.526 -10.625 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 170 3.011 -10.654 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 170 4.270 -9.443 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 170 2.732 -7.649 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.441 -8.657 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.017 -9.653 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 170 2.546 -9.094 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 0.723 -7.605 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 1.821 -6.785 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 0.339 -7.326 8.140 1.00 0.00 H new ATOM 879 N LYS A 171 4.030 -12.240 3.190 1.00 0.00 N ATOM 880 CA LYS A 171 3.949 -12.850 1.831 1.00 0.00 C ATOM 881 C LYS A 171 2.629 -13.605 1.664 1.00 0.00 C ATOM 882 O LYS A 171 1.859 -13.746 2.593 1.00 0.00 O ATOM 883 CB LYS A 171 5.132 -13.816 1.762 1.00 0.00 C ATOM 884 CG LYS A 171 5.747 -13.771 0.362 1.00 0.00 C ATOM 885 CD LYS A 171 7.273 -13.792 0.471 1.00 0.00 C ATOM 886 CE LYS A 171 7.819 -12.379 0.252 1.00 0.00 C ATOM 887 NZ LYS A 171 9.105 -12.340 1.004 1.00 0.00 N ATOM 0 H LYS A 171 3.594 -12.782 3.936 1.00 0.00 H new ATOM 0 HA LYS A 171 3.985 -12.101 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 171 5.880 -13.546 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 171 4.802 -14.829 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 171 5.403 -14.622 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 171 5.422 -12.871 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 171 7.573 -14.162 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 171 7.692 -14.474 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 171 7.975 -12.176 -0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 171 7.123 -11.626 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 9.539 -11.401 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 8.924 -12.529 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 9.750 -13.063 0.626 1.00 0.00 H new ATOM 901 N ASP A 172 2.362 -14.095 0.483 1.00 0.00 N ATOM 902 CA ASP A 172 1.094 -14.843 0.252 1.00 0.00 C ATOM 903 C ASP A 172 1.336 -16.002 -0.719 1.00 0.00 C ATOM 904 O ASP A 172 0.698 -16.107 -1.748 1.00 0.00 O ATOM 905 CB ASP A 172 0.136 -13.820 -0.360 1.00 0.00 C ATOM 906 CG ASP A 172 -1.130 -14.531 -0.842 1.00 0.00 C ATOM 907 OD1 ASP A 172 -1.339 -15.664 -0.438 1.00 0.00 O ATOM 908 OD2 ASP A 172 -1.869 -13.932 -1.606 1.00 0.00 O ATOM 0 H ASP A 172 2.969 -14.009 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 172 0.695 -15.275 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -0.120 -13.059 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 172 0.618 -13.308 -1.193 1.00 0.00 H new ATOM 913 N ALA A 173 2.256 -16.872 -0.400 1.00 0.00 N ATOM 914 CA ALA A 173 2.541 -18.022 -1.305 1.00 0.00 C ATOM 915 C ALA A 173 2.633 -17.544 -2.757 1.00 0.00 C ATOM 916 O ALA A 173 2.674 -16.361 -3.030 1.00 0.00 O ATOM 917 CB ALA A 173 1.356 -18.972 -1.127 1.00 0.00 C ATOM 0 H ALA A 173 2.822 -16.836 0.448 1.00 0.00 H new ATOM 0 HA ALA A 173 3.489 -18.506 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 173 1.492 -19.847 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 173 1.295 -19.287 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 173 0.435 -18.461 -1.406 1.00 0.00 H new ATOM 923 N ARG A 174 2.665 -18.457 -3.689 1.00 0.00 N ATOM 924 CA ARG A 174 2.752 -18.055 -5.123 1.00 0.00 C ATOM 925 C ARG A 174 1.628 -18.715 -5.924 1.00 0.00 C ATOM 926 O ARG A 174 0.557 -18.132 -5.996 1.00 0.00 O ATOM 927 CB ARG A 174 4.116 -18.563 -5.593 1.00 0.00 C ATOM 928 CG ARG A 174 4.300 -18.238 -7.077 1.00 0.00 C ATOM 929 CD ARG A 174 4.770 -16.789 -7.230 1.00 0.00 C ATOM 930 NE ARG A 174 5.823 -16.836 -8.282 1.00 0.00 N ATOM 931 CZ ARG A 174 6.593 -15.801 -8.479 1.00 0.00 C ATOM 932 NH1 ARG A 174 7.092 -15.154 -7.462 1.00 0.00 N ATOM 933 NH2 ARG A 174 6.865 -15.412 -9.695 1.00 0.00 N ATOM 934 OXT ARG A 174 1.854 -19.792 -6.451 1.00 0.00 O ATOM 0 H ARG A 174 2.635 -19.463 -3.521 1.00 0.00 H new ATOM 0 HA ARG A 174 2.649 -16.978 -5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 174 4.910 -18.099 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 174 4.189 -19.639 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 174 5.029 -18.916 -7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 174 3.361 -18.385 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 174 3.948 -16.136 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 174 5.166 -16.401 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 174 5.942 -17.676 -8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 174 6.880 -15.457 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 174 7.694 -14.345 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 174 6.476 -15.917 -10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 174 7.467 -14.603 -9.849 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.628 6.581 11.892 1.00 0.00 ZN