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 -50:sc= 0.941 USER MOD Set 1.2: A 151 THR OG1 : rot 105:sc= 0.524! USER MOD Set 2.1: A 128 LYS NZ :NH3+ -113:sc= 0.26 (180deg=0) USER MOD Set 2.2: A 135 THR OG1 : rot 120:sc= -0.587! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 61:sc= -0.574! USER MOD Single : A 134 SER OG : rot 144:sc= 1.44 USER MOD Single : A 137 THR OG1 : rot -170:sc=-0.00532 USER MOD Single : A 142 ASN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 143 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.3!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 155 THR OG1 : rot -150:sc= -1.16 USER MOD Single : A 158 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.0015) USER MOD Single : A 159 THR OG1 : rot 77:sc= -1.12! USER MOD Single : A 166 SER OG : rot -54:sc= 0.00736 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 -23.642 -3.706 -7.516 1.00 0.00 N ATOM 2 CA ARG A 113 -22.334 -4.287 -7.935 1.00 0.00 C ATOM 3 C ARG A 113 -21.260 -3.197 -7.974 1.00 0.00 C ATOM 4 O ARG A 113 -21.340 -2.258 -8.740 1.00 0.00 O ATOM 5 CB ARG A 113 -22.580 -4.847 -9.336 1.00 0.00 C ATOM 6 CG ARG A 113 -23.536 -6.038 -9.248 1.00 0.00 C ATOM 7 CD ARG A 113 -24.704 -5.827 -10.213 1.00 0.00 C ATOM 8 NE ARG A 113 -24.123 -6.033 -11.568 1.00 0.00 N ATOM 9 CZ ARG A 113 -24.713 -5.526 -12.614 1.00 0.00 C ATOM 10 NH1 ARG A 113 -25.903 -5.938 -12.957 1.00 0.00 N ATOM 11 NH2 ARG A 113 -24.116 -4.603 -13.318 1.00 0.00 N ATOM 0 HA ARG A 113 -21.983 -5.054 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -23.002 -4.075 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -21.637 -5.156 -9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -23.009 -6.960 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -23.907 -6.145 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -25.511 -6.533 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -25.125 -4.827 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 113 -23.263 -6.571 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -26.372 -6.657 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -26.364 -5.541 -13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -23.187 -4.278 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -24.578 -4.207 -14.136 1.00 0.00 H new ATOM 27 N ILE A 114 -20.253 -3.314 -7.151 1.00 0.00 N ATOM 28 CA ILE A 114 -19.175 -2.285 -7.139 1.00 0.00 C ATOM 29 C ILE A 114 -18.283 -2.435 -8.375 1.00 0.00 C ATOM 30 O ILE A 114 -18.289 -3.455 -9.036 1.00 0.00 O ATOM 31 CB ILE A 114 -18.381 -2.563 -5.863 1.00 0.00 C ATOM 32 CG1 ILE A 114 -17.283 -1.509 -5.704 1.00 0.00 C ATOM 33 CG2 ILE A 114 -17.745 -3.952 -5.948 1.00 0.00 C ATOM 34 CD1 ILE A 114 -17.053 -1.235 -4.216 1.00 0.00 C ATOM 0 H ILE A 114 -20.131 -4.078 -6.486 1.00 0.00 H new ATOM 0 HA ILE A 114 -19.571 -1.270 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 114 -19.051 -2.522 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -16.360 -1.857 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -17.570 -0.589 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -17.179 -4.149 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -18.526 -4.704 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -17.076 -3.994 -6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -16.271 -0.484 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -17.976 -0.869 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -16.748 -2.156 -3.719 1.00 0.00 H new ATOM 46 N GLU A 115 -17.521 -1.425 -8.693 1.00 0.00 N ATOM 47 CA GLU A 115 -16.632 -1.509 -9.888 1.00 0.00 C ATOM 48 C GLU A 115 -15.200 -1.114 -9.515 1.00 0.00 C ATOM 49 O GLU A 115 -14.296 -1.183 -10.324 1.00 0.00 O ATOM 50 CB GLU A 115 -17.218 -0.511 -10.886 1.00 0.00 C ATOM 51 CG GLU A 115 -17.634 -1.245 -12.162 1.00 0.00 C ATOM 52 CD GLU A 115 -16.748 -0.792 -13.324 1.00 0.00 C ATOM 53 OE1 GLU A 115 -15.555 -0.649 -13.113 1.00 0.00 O ATOM 54 OE2 GLU A 115 -17.279 -0.596 -14.405 1.00 0.00 O ATOM 0 H GLU A 115 -17.475 -0.546 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.586 -2.518 -10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -18.079 -0.006 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.483 0.259 -11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.544 -2.322 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.681 -1.040 -12.387 1.00 0.00 H new ATOM 61 N THR A 116 -14.987 -0.697 -8.298 1.00 0.00 N ATOM 62 CA THR A 116 -13.614 -0.295 -7.877 1.00 0.00 C ATOM 63 C THR A 116 -12.861 -1.498 -7.302 1.00 0.00 C ATOM 64 O THR A 116 -13.250 -2.634 -7.488 1.00 0.00 O ATOM 65 CB THR A 116 -13.823 0.773 -6.801 1.00 0.00 C ATOM 66 OG1 THR A 116 -15.174 0.746 -6.362 1.00 0.00 O ATOM 67 CG2 THR A 116 -13.502 2.152 -7.379 1.00 0.00 C ATOM 0 H THR A 116 -15.703 -0.617 -7.576 1.00 0.00 H new ATOM 0 HA THR A 116 -13.021 0.080 -8.712 1.00 0.00 H new ATOM 0 HB THR A 116 -13.163 0.571 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 116 -15.307 1.429 -5.672 1.00 0.00 H new ATOM 0 HG21 THR A 116 -13.651 2.912 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 116 -12.465 2.174 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 116 -14.161 2.355 -8.223 1.00 0.00 H new ATOM 75 N ASP A 117 -11.783 -1.256 -6.607 1.00 0.00 N ATOM 76 CA ASP A 117 -11.004 -2.386 -6.022 1.00 0.00 C ATOM 77 C ASP A 117 -10.232 -1.911 -4.788 1.00 0.00 C ATOM 78 O ASP A 117 -9.238 -2.494 -4.403 1.00 0.00 O ATOM 79 CB ASP A 117 -10.038 -2.814 -7.127 1.00 0.00 C ATOM 80 CG ASP A 117 -10.635 -3.992 -7.899 1.00 0.00 C ATOM 81 OD1 ASP A 117 -11.467 -3.751 -8.758 1.00 0.00 O ATOM 82 OD2 ASP A 117 -10.252 -5.116 -7.618 1.00 0.00 O ATOM 0 H ASP A 117 -11.408 -0.326 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.644 -3.207 -5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.850 -1.980 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.078 -3.097 -6.696 1.00 0.00 H new ATOM 87 N GLU A 118 -10.681 -0.854 -4.166 1.00 0.00 N ATOM 88 CA GLU A 118 -9.974 -0.340 -2.959 1.00 0.00 C ATOM 89 C GLU A 118 -8.589 0.189 -3.341 1.00 0.00 C ATOM 90 O GLU A 118 -7.807 -0.492 -3.973 1.00 0.00 O ATOM 91 CB GLU A 118 -9.847 -1.548 -2.029 1.00 0.00 C ATOM 92 CG GLU A 118 -10.165 -1.125 -0.593 1.00 0.00 C ATOM 93 CD GLU A 118 -10.289 -2.368 0.290 1.00 0.00 C ATOM 94 OE1 GLU A 118 -9.264 -2.861 0.733 1.00 0.00 O ATOM 95 OE2 GLU A 118 -11.406 -2.807 0.507 1.00 0.00 O ATOM 0 H GLU A 118 -11.508 -0.324 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.510 0.484 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.529 -2.337 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.838 -1.957 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.379 -0.473 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.093 -0.554 -0.568 1.00 0.00 H new ATOM 102 N ARG A 119 -8.280 1.399 -2.962 1.00 0.00 N ATOM 103 CA ARG A 119 -6.945 1.968 -3.303 1.00 0.00 C ATOM 104 C ARG A 119 -5.933 1.622 -2.210 1.00 0.00 C ATOM 105 O ARG A 119 -5.004 0.869 -2.427 1.00 0.00 O ATOM 106 CB ARG A 119 -7.161 3.480 -3.371 1.00 0.00 C ATOM 107 CG ARG A 119 -5.874 4.159 -3.841 1.00 0.00 C ATOM 108 CD ARG A 119 -6.127 4.864 -5.176 1.00 0.00 C ATOM 109 NE ARG A 119 -6.597 3.790 -6.093 1.00 0.00 N ATOM 110 CZ ARG A 119 -7.258 4.101 -7.175 1.00 0.00 C ATOM 111 NH1 ARG A 119 -6.647 4.685 -8.167 1.00 0.00 N ATOM 112 NH2 ARG A 119 -8.531 3.826 -7.263 1.00 0.00 N ATOM 0 H ARG A 119 -8.893 2.018 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.554 1.571 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.977 3.711 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.449 3.861 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -5.537 4.879 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.080 3.420 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -6.875 5.650 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.219 5.335 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.403 2.812 -5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -5.652 4.899 -8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.164 4.928 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.009 3.368 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.048 4.069 -8.108 1.00 0.00 H new ATOM 126 N ASP A 120 -6.111 2.168 -1.036 1.00 0.00 N ATOM 127 CA ASP A 120 -5.169 1.879 0.084 1.00 0.00 C ATOM 128 C ASP A 120 -3.727 1.816 -0.429 1.00 0.00 C ATOM 129 O ASP A 120 -2.927 1.027 0.034 1.00 0.00 O ATOM 130 CB ASP A 120 -5.609 0.520 0.632 1.00 0.00 C ATOM 131 CG ASP A 120 -5.171 -0.590 -0.325 1.00 0.00 C ATOM 132 OD1 ASP A 120 -4.038 -1.026 -0.215 1.00 0.00 O ATOM 133 OD2 ASP A 120 -5.978 -0.982 -1.152 1.00 0.00 O ATOM 0 H ASP A 120 -6.873 2.805 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 120 -5.192 2.654 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -5.173 0.356 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -6.692 0.500 0.755 1.00 0.00 H new ATOM 138 N SER A 121 -3.389 2.640 -1.384 1.00 0.00 N ATOM 139 CA SER A 121 -1.999 2.625 -1.923 1.00 0.00 C ATOM 140 C SER A 121 -1.026 3.195 -0.889 1.00 0.00 C ATOM 141 O SER A 121 -0.521 4.291 -1.035 1.00 0.00 O ATOM 142 CB SER A 121 -2.043 3.515 -3.164 1.00 0.00 C ATOM 143 OG SER A 121 -0.961 3.176 -4.021 1.00 0.00 O ATOM 0 H SER A 121 -4.014 3.322 -1.814 1.00 0.00 H new ATOM 0 HA SER A 121 -1.659 1.616 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.991 3.385 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.979 4.564 -2.876 1.00 0.00 H new ATOM 0 HG SER A 121 -0.986 3.744 -4.820 1.00 0.00 H new ATOM 149 N THR A 122 -0.759 2.462 0.156 1.00 0.00 N ATOM 150 CA THR A 122 0.181 2.965 1.198 1.00 0.00 C ATOM 151 C THR A 122 1.590 2.420 0.944 1.00 0.00 C ATOM 152 O THR A 122 2.570 2.962 1.416 1.00 0.00 O ATOM 153 CB THR A 122 -0.372 2.434 2.521 1.00 0.00 C ATOM 154 OG1 THR A 122 0.343 3.020 3.600 1.00 0.00 O ATOM 155 CG2 THR A 122 -0.217 0.914 2.569 1.00 0.00 C ATOM 0 H THR A 122 -1.150 1.537 0.334 1.00 0.00 H new ATOM 0 HA THR A 122 0.257 4.052 1.198 1.00 0.00 H new ATOM 0 HB THR A 122 -1.428 2.691 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.011 2.682 4.449 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.612 0.538 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 122 -0.767 0.466 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.838 0.653 2.487 1.00 0.00 H new ATOM 163 N ASN A 123 1.698 1.354 0.199 1.00 0.00 N ATOM 164 CA ASN A 123 3.044 0.778 -0.088 1.00 0.00 C ATOM 165 C ASN A 123 3.628 1.409 -1.355 1.00 0.00 C ATOM 166 O ASN A 123 4.295 0.758 -2.134 1.00 0.00 O ATOM 167 CB ASN A 123 2.800 -0.718 -0.296 1.00 0.00 C ATOM 168 CG ASN A 123 4.022 -1.506 0.180 1.00 0.00 C ATOM 169 OD1 ASN A 123 3.990 -2.126 1.224 1.00 0.00 O ATOM 170 ND2 ASN A 123 5.106 -1.507 -0.547 1.00 0.00 N ATOM 0 H ASN A 123 0.914 0.857 -0.223 1.00 0.00 H new ATOM 0 HA ASN A 123 3.754 0.966 0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 123 1.914 -1.033 0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 123 2.610 -0.923 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.927 -2.029 -0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.133 -0.986 -1.424 1.00 0.00 H new ATOM 177 N ARG A 124 3.379 2.674 -1.566 1.00 0.00 N ATOM 178 CA ARG A 124 3.919 3.347 -2.783 1.00 0.00 C ATOM 179 C ARG A 124 5.306 3.929 -2.498 1.00 0.00 C ATOM 180 O ARG A 124 6.121 4.079 -3.386 1.00 0.00 O ATOM 181 CB ARG A 124 2.925 4.468 -3.090 1.00 0.00 C ATOM 182 CG ARG A 124 3.314 5.149 -4.403 1.00 0.00 C ATOM 183 CD ARG A 124 3.354 4.109 -5.524 1.00 0.00 C ATOM 184 NE ARG A 124 2.440 4.638 -6.575 1.00 0.00 N ATOM 185 CZ ARG A 124 2.308 4.000 -7.706 1.00 0.00 C ATOM 186 NH1 ARG A 124 3.350 3.793 -8.464 1.00 0.00 N ATOM 187 NH2 ARG A 124 1.136 3.569 -8.080 1.00 0.00 N ATOM 0 H ARG A 124 2.826 3.269 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 124 4.030 2.656 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.915 4.063 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 124 2.919 5.196 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.596 5.933 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.288 5.628 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.366 3.982 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.024 3.133 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 124 1.918 5.499 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.268 4.130 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.247 3.294 -9.348 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.321 3.730 -7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.034 3.071 -8.964 1.00 0.00 H new ATOM 201 N ALA A 125 5.578 4.256 -1.266 1.00 0.00 N ATOM 202 CA ALA A 125 6.912 4.829 -0.925 1.00 0.00 C ATOM 203 C ALA A 125 7.460 4.177 0.346 1.00 0.00 C ATOM 204 O ALA A 125 6.725 3.866 1.263 1.00 0.00 O ATOM 205 CB ALA A 125 6.658 6.319 -0.698 1.00 0.00 C ATOM 0 H ALA A 125 4.936 4.152 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 125 7.647 4.657 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.595 6.813 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.251 6.761 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.946 6.447 0.117 1.00 0.00 H new ATOM 211 N SER A 126 8.747 3.968 0.407 1.00 0.00 N ATOM 212 CA SER A 126 9.338 3.337 1.619 1.00 0.00 C ATOM 213 C SER A 126 10.798 3.763 1.781 1.00 0.00 C ATOM 214 O SER A 126 11.655 3.382 1.008 1.00 0.00 O ATOM 215 CB SER A 126 9.247 1.833 1.370 1.00 0.00 C ATOM 216 OG SER A 126 10.086 1.152 2.293 1.00 0.00 O ATOM 0 H SER A 126 9.412 4.207 -0.328 1.00 0.00 H new ATOM 0 HA SER A 126 8.817 3.632 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.216 1.496 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.549 1.603 0.348 1.00 0.00 H new ATOM 0 HG SER A 126 10.028 0.186 2.137 1.00 0.00 H new ATOM 222 N PHE A 127 11.088 4.548 2.779 1.00 0.00 N ATOM 223 CA PHE A 127 12.493 4.995 2.990 1.00 0.00 C ATOM 224 C PHE A 127 13.109 4.254 4.178 1.00 0.00 C ATOM 225 O PHE A 127 12.480 4.074 5.201 1.00 0.00 O ATOM 226 CB PHE A 127 12.397 6.487 3.293 1.00 0.00 C ATOM 227 CG PHE A 127 11.602 7.175 2.209 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.187 7.422 0.962 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.281 7.568 2.453 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.450 8.062 -0.043 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.544 8.208 1.449 1.00 0.00 C ATOM 232 CZ PHE A 127 10.130 8.455 0.201 1.00 0.00 C ATOM 0 H PHE A 127 10.413 4.900 3.458 1.00 0.00 H new ATOM 0 HA PHE A 127 13.121 4.794 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.920 6.642 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.395 6.920 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.207 7.119 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.830 7.378 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.901 8.252 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.525 8.511 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.562 8.949 -0.573 1.00 0.00 H new ATOM 242 N LYS A 128 14.333 3.829 4.051 1.00 0.00 N ATOM 243 CA LYS A 128 14.986 3.107 5.172 1.00 0.00 C ATOM 244 C LYS A 128 16.164 3.925 5.707 1.00 0.00 C ATOM 245 O LYS A 128 16.807 4.656 4.980 1.00 0.00 O ATOM 246 CB LYS A 128 15.464 1.784 4.567 1.00 0.00 C ATOM 247 CG LYS A 128 16.565 1.180 5.445 1.00 0.00 C ATOM 248 CD LYS A 128 16.399 -0.341 5.510 1.00 0.00 C ATOM 249 CE LYS A 128 15.821 -0.736 6.872 1.00 0.00 C ATOM 250 NZ LYS A 128 14.395 -1.070 6.602 1.00 0.00 N ATOM 0 H LYS A 128 14.909 3.951 3.218 1.00 0.00 H new ATOM 0 HA LYS A 128 14.312 2.942 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.629 1.088 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.841 1.950 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.545 1.431 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.517 1.604 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.739 -0.680 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.361 -0.829 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.353 -1.588 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.906 0.080 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.781 -0.368 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.224 -1.060 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.182 -2.016 6.979 1.00 0.00 H new ATOM 264 N CYS A 129 16.444 3.813 6.974 1.00 0.00 N ATOM 265 CA CYS A 129 17.572 4.585 7.561 1.00 0.00 C ATOM 266 C CYS A 129 18.829 3.708 7.643 1.00 0.00 C ATOM 267 O CYS A 129 18.774 2.589 8.113 1.00 0.00 O ATOM 268 CB CYS A 129 17.086 4.972 8.956 1.00 0.00 C ATOM 269 SG CYS A 129 18.323 6.004 9.761 1.00 0.00 S ATOM 0 H CYS A 129 15.938 3.218 7.630 1.00 0.00 H new ATOM 0 HA CYS A 129 17.840 5.457 6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.140 5.508 8.887 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.902 4.077 9.550 1.00 0.00 H new ATOM 274 N PRO A 130 19.921 4.248 7.168 1.00 0.00 N ATOM 275 CA PRO A 130 21.206 3.505 7.171 1.00 0.00 C ATOM 276 C PRO A 130 21.851 3.505 8.563 1.00 0.00 C ATOM 277 O PRO A 130 22.790 2.776 8.815 1.00 0.00 O ATOM 278 CB PRO A 130 22.068 4.285 6.185 1.00 0.00 C ATOM 279 CG PRO A 130 21.509 5.674 6.181 1.00 0.00 C ATOM 280 CD PRO A 130 20.057 5.586 6.586 1.00 0.00 C ATOM 0 HA PRO A 130 21.081 2.456 6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.114 4.283 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.026 3.842 5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.061 6.310 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.604 6.121 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.798 6.361 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.397 5.715 5.728 1.00 0.00 H new ATOM 288 N VAL A 131 21.372 4.317 9.468 1.00 0.00 N ATOM 289 CA VAL A 131 21.987 4.348 10.826 1.00 0.00 C ATOM 290 C VAL A 131 21.227 3.434 11.789 1.00 0.00 C ATOM 291 O VAL A 131 21.706 2.383 12.165 1.00 0.00 O ATOM 292 CB VAL A 131 21.907 5.812 11.273 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.003 5.901 12.798 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.070 6.587 10.650 1.00 0.00 C ATOM 0 H VAL A 131 20.588 4.955 9.327 1.00 0.00 H new ATOM 0 HA VAL A 131 23.016 3.988 10.815 1.00 0.00 H new ATOM 0 HB VAL A 131 20.956 6.236 10.950 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.945 6.945 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.181 5.344 13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.951 5.477 13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.021 7.630 10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.014 6.153 10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.004 6.530 9.563 1.00 0.00 H new ATOM 304 N CYS A 132 20.053 3.822 12.200 1.00 0.00 N ATOM 305 CA CYS A 132 19.288 2.960 13.149 1.00 0.00 C ATOM 306 C CYS A 132 18.487 1.899 12.380 1.00 0.00 C ATOM 307 O CYS A 132 17.608 1.253 12.918 1.00 0.00 O ATOM 308 CB CYS A 132 18.379 3.916 13.927 1.00 0.00 C ATOM 309 SG CYS A 132 17.002 4.451 12.890 1.00 0.00 S ATOM 0 H CYS A 132 19.592 4.689 11.925 1.00 0.00 H new ATOM 0 HA CYS A 132 19.939 2.408 13.828 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.999 3.421 14.821 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.951 4.782 14.260 1.00 0.00 H new ATOM 314 N SER A 133 18.815 1.697 11.129 1.00 0.00 N ATOM 315 CA SER A 133 18.121 0.661 10.299 1.00 0.00 C ATOM 316 C SER A 133 16.598 0.752 10.418 1.00 0.00 C ATOM 317 O SER A 133 15.902 -0.233 10.274 1.00 0.00 O ATOM 318 CB SER A 133 18.614 -0.690 10.828 1.00 0.00 C ATOM 319 OG SER A 133 18.899 -0.591 12.216 1.00 0.00 O ATOM 0 H SER A 133 19.545 2.213 10.639 1.00 0.00 H new ATOM 0 HA SER A 133 18.348 0.802 9.242 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.857 -1.455 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.508 -0.999 10.286 1.00 0.00 H new ATOM 0 HG SER A 133 18.084 -0.341 12.700 1.00 0.00 H new ATOM 325 N SER A 134 16.070 1.916 10.655 1.00 0.00 N ATOM 326 CA SER A 134 14.589 2.042 10.749 1.00 0.00 C ATOM 327 C SER A 134 13.997 2.149 9.341 1.00 0.00 C ATOM 328 O SER A 134 14.672 1.907 8.361 1.00 0.00 O ATOM 329 CB SER A 134 14.347 3.329 11.531 1.00 0.00 C ATOM 330 OG SER A 134 14.532 3.079 12.918 1.00 0.00 O ATOM 0 H SER A 134 16.593 2.782 10.787 1.00 0.00 H new ATOM 0 HA SER A 134 14.124 1.184 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.033 4.106 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.337 3.695 11.347 1.00 0.00 H new ATOM 0 HG SER A 134 14.935 3.866 13.341 1.00 0.00 H new ATOM 336 N THR A 135 12.750 2.514 9.225 1.00 0.00 N ATOM 337 CA THR A 135 12.142 2.636 7.869 1.00 0.00 C ATOM 338 C THR A 135 10.888 3.511 7.916 1.00 0.00 C ATOM 339 O THR A 135 10.321 3.750 8.963 1.00 0.00 O ATOM 340 CB THR A 135 11.786 1.209 7.455 1.00 0.00 C ATOM 341 OG1 THR A 135 12.838 0.332 7.831 1.00 0.00 O ATOM 342 CG2 THR A 135 11.588 1.155 5.939 1.00 0.00 C ATOM 0 H THR A 135 12.129 2.732 10.004 1.00 0.00 H new ATOM 0 HA THR A 135 12.825 3.106 7.161 1.00 0.00 H new ATOM 0 HB THR A 135 10.865 0.902 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.494 -0.344 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.334 0.138 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.781 1.829 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.508 1.460 5.441 1.00 0.00 H new ATOM 350 N PHE A 136 10.453 3.989 6.782 1.00 0.00 N ATOM 351 CA PHE A 136 9.236 4.848 6.747 1.00 0.00 C ATOM 352 C PHE A 136 8.490 4.646 5.425 1.00 0.00 C ATOM 353 O PHE A 136 8.951 3.949 4.544 1.00 0.00 O ATOM 354 CB PHE A 136 9.762 6.280 6.853 1.00 0.00 C ATOM 355 CG PHE A 136 10.767 6.366 7.976 1.00 0.00 C ATOM 356 CD1 PHE A 136 12.109 6.047 7.741 1.00 0.00 C ATOM 357 CD2 PHE A 136 10.353 6.764 9.254 1.00 0.00 C ATOM 358 CE1 PHE A 136 13.040 6.128 8.784 1.00 0.00 C ATOM 359 CE2 PHE A 136 11.284 6.844 10.296 1.00 0.00 C ATOM 360 CZ PHE A 136 12.627 6.526 10.062 1.00 0.00 C ATOM 0 H PHE A 136 10.890 3.821 5.876 1.00 0.00 H new ATOM 0 HA PHE A 136 8.536 4.611 7.548 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.225 6.579 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 136 8.937 6.969 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 136 12.427 5.739 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 136 9.317 7.009 9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 136 14.076 5.884 8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.966 7.151 11.281 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.345 6.588 10.867 1.00 0.00 H new ATOM 370 N THR A 137 7.345 5.252 5.280 1.00 0.00 N ATOM 371 CA THR A 137 6.570 5.099 4.014 1.00 0.00 C ATOM 372 C THR A 137 6.107 6.468 3.515 1.00 0.00 C ATOM 373 O THR A 137 6.467 7.492 4.061 1.00 0.00 O ATOM 374 CB THR A 137 5.367 4.229 4.384 1.00 0.00 C ATOM 375 OG1 THR A 137 5.220 4.200 5.797 1.00 0.00 O ATOM 376 CG2 THR A 137 5.582 2.808 3.862 1.00 0.00 C ATOM 0 H THR A 137 6.910 5.848 5.984 1.00 0.00 H new ATOM 0 HA THR A 137 7.164 4.651 3.217 1.00 0.00 H new ATOM 0 HB THR A 137 4.466 4.646 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.555 3.524 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.724 2.190 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.692 2.831 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.483 2.389 4.309 1.00 0.00 H new ATOM 384 N ASP A 138 5.311 6.497 2.483 1.00 0.00 N ATOM 385 CA ASP A 138 4.829 7.805 1.954 1.00 0.00 C ATOM 386 C ASP A 138 4.175 8.619 3.074 1.00 0.00 C ATOM 387 O ASP A 138 4.477 9.780 3.264 1.00 0.00 O ATOM 388 CB ASP A 138 3.810 7.452 0.868 1.00 0.00 C ATOM 389 CG ASP A 138 2.900 6.319 1.351 1.00 0.00 C ATOM 390 OD1 ASP A 138 2.944 6.006 2.528 1.00 0.00 O ATOM 391 OD2 ASP A 138 2.170 5.785 0.531 1.00 0.00 O ATOM 0 H ASP A 138 4.974 5.674 1.983 1.00 0.00 H new ATOM 0 HA ASP A 138 5.641 8.413 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.212 8.329 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.327 7.151 -0.043 1.00 0.00 H new ATOM 396 N LEU A 139 3.287 8.022 3.822 1.00 0.00 N ATOM 397 CA LEU A 139 2.631 8.772 4.930 1.00 0.00 C ATOM 398 C LEU A 139 3.700 9.422 5.811 1.00 0.00 C ATOM 399 O LEU A 139 3.449 10.390 6.503 1.00 0.00 O ATOM 400 CB LEU A 139 1.842 7.723 5.716 1.00 0.00 C ATOM 401 CG LEU A 139 2.804 6.873 6.548 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.752 7.325 8.007 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.393 5.401 6.455 1.00 0.00 C ATOM 0 H LEU A 139 2.989 7.052 3.714 1.00 0.00 H new ATOM 0 HA LEU A 139 1.981 9.569 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.117 8.211 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.279 7.088 5.031 1.00 0.00 H new ATOM 0 HG LEU A 139 3.818 6.993 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.437 6.720 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.043 8.373 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.738 7.205 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.078 4.794 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.379 5.282 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.429 5.078 5.415 1.00 0.00 H new ATOM 415 N GLU A 140 4.896 8.898 5.782 1.00 0.00 N ATOM 416 CA GLU A 140 5.991 9.482 6.606 1.00 0.00 C ATOM 417 C GLU A 140 6.838 10.425 5.749 1.00 0.00 C ATOM 418 O GLU A 140 7.514 11.301 6.251 1.00 0.00 O ATOM 419 CB GLU A 140 6.822 8.285 7.068 1.00 0.00 C ATOM 420 CG GLU A 140 5.968 7.386 7.962 1.00 0.00 C ATOM 421 CD GLU A 140 6.805 6.899 9.146 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.516 5.922 8.982 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.723 7.513 10.197 1.00 0.00 O ATOM 0 H GLU A 140 5.161 8.088 5.221 1.00 0.00 H new ATOM 0 HA GLU A 140 5.615 10.062 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.181 7.723 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.701 8.628 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.097 7.934 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.597 6.535 7.391 1.00 0.00 H new ATOM 430 N ALA A 141 6.803 10.252 4.456 1.00 0.00 N ATOM 431 CA ALA A 141 7.601 11.138 3.562 1.00 0.00 C ATOM 432 C ALA A 141 7.088 12.577 3.662 1.00 0.00 C ATOM 433 O ALA A 141 7.782 13.519 3.331 1.00 0.00 O ATOM 434 CB ALA A 141 7.377 10.583 2.154 1.00 0.00 C ATOM 0 H ALA A 141 6.256 9.535 3.980 1.00 0.00 H new ATOM 0 HA ALA A 141 8.658 11.156 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.933 11.183 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.723 9.550 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.315 10.620 1.913 1.00 0.00 H new ATOM 440 N ASN A 142 5.877 12.754 4.117 1.00 0.00 N ATOM 441 CA ASN A 142 5.317 14.131 4.240 1.00 0.00 C ATOM 442 C ASN A 142 5.634 14.712 5.622 1.00 0.00 C ATOM 443 O ASN A 142 5.423 15.882 5.874 1.00 0.00 O ATOM 444 CB ASN A 142 3.808 13.960 4.062 1.00 0.00 C ATOM 445 CG ASN A 142 3.506 13.552 2.619 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.350 14.395 1.757 1.00 0.00 O ATOM 447 ND2 ASN A 142 3.413 12.286 2.317 1.00 0.00 N ATOM 0 H ASN A 142 5.251 12.004 4.409 1.00 0.00 H new ATOM 0 HA ASN A 142 5.740 14.816 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.434 13.203 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.295 14.891 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 142 3.210 12.004 1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 142 3.544 11.578 3.040 1.00 0.00 H new ATOM 454 N GLN A 143 6.138 13.907 6.518 1.00 0.00 N ATOM 455 CA GLN A 143 6.466 14.423 7.879 1.00 0.00 C ATOM 456 C GLN A 143 7.964 14.272 8.157 1.00 0.00 C ATOM 457 O GLN A 143 8.499 14.871 9.067 1.00 0.00 O ATOM 458 CB GLN A 143 5.650 13.560 8.844 1.00 0.00 C ATOM 459 CG GLN A 143 6.198 12.131 8.841 1.00 0.00 C ATOM 460 CD GLN A 143 5.311 11.243 9.715 1.00 0.00 C ATOM 461 OE1 GLN A 143 4.211 11.619 10.065 1.00 0.00 O ATOM 462 NE2 GLN A 143 5.746 10.069 10.084 1.00 0.00 N ATOM 0 H GLN A 143 6.336 12.918 6.368 1.00 0.00 H new ATOM 0 HA GLN A 143 6.229 15.482 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.698 13.977 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.601 13.559 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.228 11.744 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.222 12.122 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.670 9.752 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.162 9.468 10.666 1.00 0.00 H new ATOM 471 N LEU A 144 8.645 13.476 7.378 1.00 0.00 N ATOM 472 CA LEU A 144 10.109 13.290 7.599 1.00 0.00 C ATOM 473 C LEU A 144 10.903 14.100 6.571 1.00 0.00 C ATOM 474 O LEU A 144 12.108 14.224 6.659 1.00 0.00 O ATOM 475 CB LEU A 144 10.353 11.793 7.404 1.00 0.00 C ATOM 476 CG LEU A 144 9.485 11.002 8.383 1.00 0.00 C ATOM 477 CD1 LEU A 144 9.839 9.517 8.295 1.00 0.00 C ATOM 478 CD2 LEU A 144 9.741 11.503 9.806 1.00 0.00 C ATOM 0 H LEU A 144 8.252 12.947 6.599 1.00 0.00 H new ATOM 0 HA LEU A 144 10.425 13.629 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 144 10.117 11.506 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.406 11.561 7.566 1.00 0.00 H new ATOM 0 HG LEU A 144 8.434 11.139 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.220 8.953 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.660 9.160 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.890 9.378 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 144 9.123 10.941 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 144 10.793 11.364 10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.490 12.562 9.870 1.00 0.00 H new ATOM 490 N PHE A 145 10.235 14.652 5.596 1.00 0.00 N ATOM 491 CA PHE A 145 10.946 15.452 4.559 1.00 0.00 C ATOM 492 C PHE A 145 11.559 16.709 5.182 1.00 0.00 C ATOM 493 O PHE A 145 11.083 17.217 6.177 1.00 0.00 O ATOM 494 CB PHE A 145 9.867 15.827 3.544 1.00 0.00 C ATOM 495 CG PHE A 145 10.511 16.468 2.340 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.894 17.814 2.385 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.727 15.718 1.178 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.493 18.409 1.268 1.00 0.00 C ATOM 499 CE2 PHE A 145 11.325 16.312 0.061 1.00 0.00 C ATOM 500 CZ PHE A 145 11.708 17.658 0.107 1.00 0.00 C ATOM 0 H PHE A 145 9.225 14.583 5.472 1.00 0.00 H new ATOM 0 HA PHE A 145 11.765 14.898 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.311 14.939 3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.151 16.513 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.727 18.393 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 145 10.432 14.680 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 145 11.789 19.447 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 145 11.491 15.733 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.170 18.117 -0.755 1.00 0.00 H new ATOM 510 N ASP A 146 12.611 17.217 4.599 1.00 0.00 N ATOM 511 CA ASP A 146 13.254 18.444 5.153 1.00 0.00 C ATOM 512 C ASP A 146 13.574 19.426 4.022 1.00 0.00 C ATOM 513 O ASP A 146 14.157 19.052 3.022 1.00 0.00 O ATOM 514 CB ASP A 146 14.539 17.953 5.820 1.00 0.00 C ATOM 515 CG ASP A 146 14.258 17.621 7.287 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.427 16.763 7.532 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.880 18.232 8.142 1.00 0.00 O ATOM 0 H ASP A 146 13.053 16.836 3.763 1.00 0.00 H new ATOM 0 HA ASP A 146 12.608 18.969 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.916 17.071 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.312 18.718 5.751 1.00 0.00 H new ATOM 522 N PRO A 147 13.175 20.655 4.217 1.00 0.00 N ATOM 523 CA PRO A 147 13.419 21.706 3.199 1.00 0.00 C ATOM 524 C PRO A 147 14.898 22.102 3.176 1.00 0.00 C ATOM 525 O PRO A 147 15.340 22.828 2.307 1.00 0.00 O ATOM 526 CB PRO A 147 12.551 22.869 3.672 1.00 0.00 C ATOM 527 CG PRO A 147 12.390 22.660 5.144 1.00 0.00 C ATOM 528 CD PRO A 147 12.469 21.175 5.393 1.00 0.00 C ATOM 0 HA PRO A 147 13.179 21.384 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.025 23.827 3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.586 22.872 3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.170 23.185 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.435 23.058 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.009 20.953 6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.477 20.733 5.491 1.00 0.00 H new ATOM 536 N MET A 148 15.667 21.634 4.121 1.00 0.00 N ATOM 537 CA MET A 148 17.115 21.990 4.147 1.00 0.00 C ATOM 538 C MET A 148 17.934 20.941 3.389 1.00 0.00 C ATOM 539 O MET A 148 18.993 21.226 2.867 1.00 0.00 O ATOM 540 CB MET A 148 17.497 22.004 5.628 1.00 0.00 C ATOM 541 CG MET A 148 17.240 20.625 6.239 1.00 0.00 C ATOM 542 SD MET A 148 18.273 20.413 7.710 1.00 0.00 S ATOM 543 CE MET A 148 17.100 21.088 8.912 1.00 0.00 C ATOM 0 H MET A 148 15.356 21.022 4.875 1.00 0.00 H new ATOM 0 HA MET A 148 17.311 22.950 3.669 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.548 22.272 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.917 22.761 6.156 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.187 20.523 6.503 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.462 19.846 5.510 1.00 0.00 H new ATOM 0 HE1 MET A 148 17.540 21.054 9.909 1.00 0.00 H new ATOM 0 HE2 MET A 148 16.868 22.121 8.653 1.00 0.00 H new ATOM 0 HE3 MET A 148 16.185 20.496 8.899 1.00 0.00 H new ATOM 553 N THR A 149 17.453 19.729 3.324 1.00 0.00 N ATOM 554 CA THR A 149 18.207 18.667 2.599 1.00 0.00 C ATOM 555 C THR A 149 17.423 18.210 1.366 1.00 0.00 C ATOM 556 O THR A 149 17.933 17.505 0.518 1.00 0.00 O ATOM 557 CB THR A 149 18.347 17.525 3.607 1.00 0.00 C ATOM 558 OG1 THR A 149 18.878 16.381 2.954 1.00 0.00 O ATOM 559 CG2 THR A 149 16.977 17.190 4.197 1.00 0.00 C ATOM 0 H THR A 149 16.572 19.429 3.741 1.00 0.00 H new ATOM 0 HA THR A 149 19.177 19.015 2.243 1.00 0.00 H new ATOM 0 HB THR A 149 19.019 17.829 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.362 16.200 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.079 16.376 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.573 18.069 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.301 16.886 3.398 1.00 0.00 H new ATOM 567 N GLY A 150 16.184 18.611 1.257 1.00 0.00 N ATOM 568 CA GLY A 150 15.367 18.207 0.077 1.00 0.00 C ATOM 569 C GLY A 150 15.081 16.705 0.135 1.00 0.00 C ATOM 570 O GLY A 150 14.557 16.127 -0.797 1.00 0.00 O ATOM 0 H GLY A 150 15.703 19.201 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.431 18.765 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 150 15.896 18.450 -0.844 1.00 0.00 H new ATOM 574 N THR A 151 15.420 16.065 1.221 1.00 0.00 N ATOM 575 CA THR A 151 15.165 14.599 1.333 1.00 0.00 C ATOM 576 C THR A 151 14.409 14.290 2.628 1.00 0.00 C ATOM 577 O THR A 151 13.960 15.179 3.324 1.00 0.00 O ATOM 578 CB THR A 151 16.551 13.954 1.355 1.00 0.00 C ATOM 579 OG1 THR A 151 17.511 14.916 1.764 1.00 0.00 O ATOM 580 CG2 THR A 151 16.903 13.443 -0.042 1.00 0.00 C ATOM 0 H THR A 151 15.862 16.492 2.035 1.00 0.00 H new ATOM 0 HA THR A 151 14.554 14.224 0.512 1.00 0.00 H new ATOM 0 HB THR A 151 16.551 13.118 2.054 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.780 14.737 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.891 12.984 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 151 16.166 12.704 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.903 14.276 -0.745 1.00 0.00 H new ATOM 588 N PHE A 152 14.268 13.035 2.957 1.00 0.00 N ATOM 589 CA PHE A 152 13.546 12.668 4.208 1.00 0.00 C ATOM 590 C PHE A 152 14.548 12.389 5.329 1.00 0.00 C ATOM 591 O PHE A 152 15.550 11.731 5.129 1.00 0.00 O ATOM 592 CB PHE A 152 12.764 11.402 3.856 1.00 0.00 C ATOM 593 CG PHE A 152 11.946 11.652 2.612 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.501 11.411 1.349 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.633 12.125 2.722 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.744 11.645 0.196 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.876 12.359 1.567 1.00 0.00 C ATOM 598 CZ PHE A 152 10.431 12.119 0.305 1.00 0.00 C ATOM 0 H PHE A 152 14.622 12.248 2.413 1.00 0.00 H new ATOM 0 HA PHE A 152 12.891 13.465 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.450 10.570 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.112 11.121 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.513 11.044 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.204 12.309 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.172 11.460 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.863 12.725 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.846 12.299 -0.585 1.00 0.00 H new ATOM 608 N ARG A 153 14.293 12.892 6.505 1.00 0.00 N ATOM 609 CA ARG A 153 15.238 12.656 7.631 1.00 0.00 C ATOM 610 C ARG A 153 14.625 11.702 8.656 1.00 0.00 C ATOM 611 O ARG A 153 13.455 11.785 8.976 1.00 0.00 O ATOM 612 CB ARG A 153 15.465 14.032 8.258 1.00 0.00 C ATOM 613 CG ARG A 153 16.630 14.729 7.552 1.00 0.00 C ATOM 614 CD ARG A 153 17.161 15.860 8.436 1.00 0.00 C ATOM 615 NE ARG A 153 18.643 15.741 8.364 1.00 0.00 N ATOM 616 CZ ARG A 153 19.382 16.815 8.298 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.075 17.862 9.013 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.429 16.840 7.519 1.00 0.00 N ATOM 0 H ARG A 153 13.474 13.455 6.734 1.00 0.00 H new ATOM 0 HA ARG A 153 16.168 12.201 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.561 14.635 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.680 13.928 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.424 14.012 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.301 15.127 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.825 16.833 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.806 15.759 9.462 1.00 0.00 H new ATOM 0 HE ARG A 153 19.081 14.820 8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.258 17.841 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.652 18.702 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.670 16.020 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.006 17.679 7.467 1.00 0.00 H new ATOM 632 N CYS A 154 15.412 10.808 9.181 1.00 0.00 N ATOM 633 CA CYS A 154 14.892 9.854 10.198 1.00 0.00 C ATOM 634 C CYS A 154 14.076 10.618 11.247 1.00 0.00 C ATOM 635 O CYS A 154 14.019 11.831 11.232 1.00 0.00 O ATOM 636 CB CYS A 154 16.149 9.253 10.818 1.00 0.00 C ATOM 637 SG CYS A 154 15.723 7.810 11.816 1.00 0.00 S ATOM 0 H CYS A 154 16.399 10.696 8.948 1.00 0.00 H new ATOM 0 HA CYS A 154 14.235 9.091 9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.850 8.968 10.033 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.650 9.997 11.437 1.00 0.00 H new ATOM 642 N THR A 155 13.443 9.929 12.156 1.00 0.00 N ATOM 643 CA THR A 155 12.636 10.644 13.188 1.00 0.00 C ATOM 644 C THR A 155 13.185 10.380 14.593 1.00 0.00 C ATOM 645 O THR A 155 12.903 11.110 15.523 1.00 0.00 O ATOM 646 CB THR A 155 11.216 10.091 13.053 1.00 0.00 C ATOM 647 OG1 THR A 155 11.165 9.160 11.979 1.00 0.00 O ATOM 648 CG2 THR A 155 10.249 11.244 12.777 1.00 0.00 C ATOM 0 H THR A 155 13.448 8.912 12.230 1.00 0.00 H new ATOM 0 HA THR A 155 12.667 11.724 13.041 1.00 0.00 H new ATOM 0 HB THR A 155 10.932 9.588 13.978 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.269 9.167 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.236 10.854 12.680 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.286 11.956 13.602 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.535 11.745 11.852 1.00 0.00 H new ATOM 656 N PHE A 156 13.969 9.350 14.763 1.00 0.00 N ATOM 657 CA PHE A 156 14.524 9.067 16.120 1.00 0.00 C ATOM 658 C PHE A 156 16.041 9.264 16.121 1.00 0.00 C ATOM 659 O PHE A 156 16.619 9.691 17.100 1.00 0.00 O ATOM 660 CB PHE A 156 14.165 7.612 16.467 1.00 0.00 C ATOM 661 CG PHE A 156 13.634 6.872 15.259 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.510 6.466 14.250 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.266 6.593 15.154 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.019 5.783 13.133 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.775 5.909 14.036 1.00 0.00 C ATOM 666 CZ PHE A 156 12.652 5.503 13.025 1.00 0.00 C ATOM 0 H PHE A 156 14.248 8.698 14.030 1.00 0.00 H new ATOM 0 HA PHE A 156 14.105 9.748 16.861 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.047 7.100 16.851 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.418 7.599 17.261 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.566 6.679 14.332 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.590 6.906 15.936 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.696 5.471 12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.720 5.695 13.954 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.275 4.974 12.162 1.00 0.00 H new ATOM 676 N CYS A 157 16.689 8.970 15.030 1.00 0.00 N ATOM 677 CA CYS A 157 18.165 9.159 14.975 1.00 0.00 C ATOM 678 C CYS A 157 18.510 10.163 13.858 1.00 0.00 C ATOM 679 O CYS A 157 19.626 10.241 13.383 1.00 0.00 O ATOM 680 CB CYS A 157 18.736 7.745 14.752 1.00 0.00 C ATOM 681 SG CYS A 157 19.267 7.490 13.040 1.00 0.00 S ATOM 0 H CYS A 157 16.263 8.608 14.177 1.00 0.00 H new ATOM 0 HA CYS A 157 18.596 9.586 15.880 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.581 7.586 15.421 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.980 7.004 15.011 1.00 0.00 H new ATOM 686 N HIS A 158 17.537 10.948 13.475 1.00 0.00 N ATOM 687 CA HIS A 158 17.727 11.999 12.423 1.00 0.00 C ATOM 688 C HIS A 158 18.788 11.629 11.378 1.00 0.00 C ATOM 689 O HIS A 158 19.462 12.490 10.849 1.00 0.00 O ATOM 690 CB HIS A 158 18.153 13.242 13.201 1.00 0.00 C ATOM 691 CG HIS A 158 16.996 13.720 14.036 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.252 14.840 13.698 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.437 13.234 15.191 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.296 14.987 14.633 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.363 14.035 15.567 1.00 0.00 N ATOM 0 H HIS A 158 16.592 10.905 13.857 1.00 0.00 H new ATOM 0 HA HIS A 158 16.812 12.138 11.848 1.00 0.00 H new ATOM 0 HB2 HIS A 158 19.007 13.013 13.838 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.470 14.026 12.513 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.779 12.361 15.727 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.562 15.780 14.629 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.758 13.920 16.380 1.00 0.00 H new ATOM 703 N THR A 159 18.932 10.378 11.043 1.00 0.00 N ATOM 704 CA THR A 159 19.934 10.012 10.001 1.00 0.00 C ATOM 705 C THR A 159 19.264 10.030 8.623 1.00 0.00 C ATOM 706 O THR A 159 18.182 9.505 8.443 1.00 0.00 O ATOM 707 CB THR A 159 20.396 8.601 10.362 1.00 0.00 C ATOM 708 OG1 THR A 159 21.263 8.668 11.485 1.00 0.00 O ATOM 709 CG2 THR A 159 21.141 7.972 9.177 1.00 0.00 C ATOM 0 H THR A 159 18.406 9.599 11.440 1.00 0.00 H new ATOM 0 HA THR A 159 20.774 10.706 9.964 1.00 0.00 H new ATOM 0 HB THR A 159 19.527 7.987 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.734 8.798 12.299 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.466 6.967 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.476 7.921 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.011 8.581 8.929 1.00 0.00 H new ATOM 717 N GLU A 160 19.895 10.628 7.649 1.00 0.00 N ATOM 718 CA GLU A 160 19.289 10.675 6.286 1.00 0.00 C ATOM 719 C GLU A 160 18.821 9.277 5.869 1.00 0.00 C ATOM 720 O GLU A 160 19.549 8.310 5.976 1.00 0.00 O ATOM 721 CB GLU A 160 20.413 11.161 5.371 1.00 0.00 C ATOM 722 CG GLU A 160 19.878 11.339 3.949 1.00 0.00 C ATOM 723 CD GLU A 160 21.022 11.167 2.947 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.873 12.040 2.896 1.00 0.00 O ATOM 725 OE2 GLU A 160 21.028 10.166 2.250 1.00 0.00 O ATOM 0 H GLU A 160 20.802 11.085 7.737 1.00 0.00 H new ATOM 0 HA GLU A 160 18.417 11.328 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 160 20.813 12.105 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.234 10.444 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 160 19.094 10.609 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.430 12.326 3.839 1.00 0.00 H new ATOM 732 N VAL A 161 17.609 9.161 5.396 1.00 0.00 N ATOM 733 CA VAL A 161 17.097 7.826 4.974 1.00 0.00 C ATOM 734 C VAL A 161 17.301 7.633 3.467 1.00 0.00 C ATOM 735 O VAL A 161 17.742 8.527 2.773 1.00 0.00 O ATOM 736 CB VAL A 161 15.606 7.849 5.312 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.424 7.961 6.828 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.951 9.052 4.632 1.00 0.00 C ATOM 0 H VAL A 161 16.952 9.933 5.284 1.00 0.00 H new ATOM 0 HA VAL A 161 17.617 7.008 5.473 1.00 0.00 H new ATOM 0 HB VAL A 161 15.140 6.929 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.361 7.977 7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.892 7.105 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.890 8.880 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.888 9.071 4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.419 9.970 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.079 8.974 3.552 1.00 0.00 H new ATOM 748 N GLU A 162 16.981 6.474 2.958 1.00 0.00 N ATOM 749 CA GLU A 162 17.155 6.226 1.498 1.00 0.00 C ATOM 750 C GLU A 162 16.065 5.277 0.992 1.00 0.00 C ATOM 751 O GLU A 162 15.521 4.489 1.740 1.00 0.00 O ATOM 752 CB GLU A 162 18.533 5.576 1.364 1.00 0.00 C ATOM 753 CG GLU A 162 19.616 6.656 1.400 1.00 0.00 C ATOM 754 CD GLU A 162 20.832 6.188 0.598 1.00 0.00 C ATOM 755 OE1 GLU A 162 20.916 5.002 0.326 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.656 7.023 0.269 1.00 0.00 O ATOM 0 H GLU A 162 16.607 5.688 3.490 1.00 0.00 H new ATOM 0 HA GLU A 162 17.079 7.142 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.690 4.863 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.593 5.017 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.230 7.587 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.905 6.862 2.431 1.00 0.00 H new ATOM 763 N GLU A 163 15.745 5.341 -0.272 1.00 0.00 N ATOM 764 CA GLU A 163 14.694 4.435 -0.817 1.00 0.00 C ATOM 765 C GLU A 163 15.070 2.977 -0.543 1.00 0.00 C ATOM 766 O GLU A 163 16.126 2.516 -0.929 1.00 0.00 O ATOM 767 CB GLU A 163 14.666 4.711 -2.321 1.00 0.00 C ATOM 768 CG GLU A 163 14.171 6.136 -2.572 1.00 0.00 C ATOM 769 CD GLU A 163 12.704 6.098 -3.004 1.00 0.00 C ATOM 770 OE1 GLU A 163 12.009 5.184 -2.593 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.300 6.986 -3.738 1.00 0.00 O ATOM 0 H GLU A 163 16.164 5.979 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 163 13.720 4.607 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.663 4.582 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 163 14.013 3.995 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 163 14.279 6.735 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 163 14.776 6.612 -3.344 1.00 0.00 H new ATOM 778 N ASP A 164 14.218 2.250 0.125 1.00 0.00 N ATOM 779 CA ASP A 164 14.531 0.824 0.430 1.00 0.00 C ATOM 780 C ASP A 164 13.986 -0.090 -0.671 1.00 0.00 C ATOM 781 O ASP A 164 12.811 -0.076 -0.977 1.00 0.00 O ATOM 782 CB ASP A 164 13.830 0.543 1.758 1.00 0.00 C ATOM 783 CG ASP A 164 13.972 -0.939 2.109 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.590 -1.654 1.337 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.462 -1.334 3.144 1.00 0.00 O ATOM 0 H ASP A 164 13.318 2.581 0.473 1.00 0.00 H new ATOM 0 HA ASP A 164 15.604 0.640 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 164 14.264 1.157 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.776 0.811 1.688 1.00 0.00 H new ATOM 790 N GLU A 165 14.831 -0.887 -1.264 1.00 0.00 N ATOM 791 CA GLU A 165 14.363 -1.806 -2.340 1.00 0.00 C ATOM 792 C GLU A 165 14.218 -3.227 -1.788 1.00 0.00 C ATOM 793 O GLU A 165 13.693 -4.107 -2.440 1.00 0.00 O ATOM 794 CB GLU A 165 15.454 -1.755 -3.411 1.00 0.00 C ATOM 795 CG GLU A 165 16.816 -2.012 -2.764 1.00 0.00 C ATOM 796 CD GLU A 165 17.702 -2.799 -3.731 1.00 0.00 C ATOM 797 OE1 GLU A 165 17.284 -2.997 -4.859 1.00 0.00 O ATOM 798 OE2 GLU A 165 18.785 -3.191 -3.325 1.00 0.00 O ATOM 0 H GLU A 165 15.827 -0.942 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 165 13.391 -1.516 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 165 15.258 -2.502 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.451 -0.782 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 165 17.292 -1.066 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 165 16.690 -2.569 -1.835 1.00 0.00 H new ATOM 805 N SER A 166 14.678 -3.453 -0.587 1.00 0.00 N ATOM 806 CA SER A 166 14.565 -4.815 0.010 1.00 0.00 C ATOM 807 C SER A 166 13.349 -4.877 0.936 1.00 0.00 C ATOM 808 O SER A 166 13.287 -5.681 1.845 1.00 0.00 O ATOM 809 CB SER A 166 15.855 -5.011 0.803 1.00 0.00 C ATOM 810 OG SER A 166 15.657 -4.572 2.140 1.00 0.00 O ATOM 0 H SER A 166 15.127 -2.755 0.006 1.00 0.00 H new ATOM 0 HA SER A 166 14.434 -5.590 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 166 16.146 -6.062 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 166 16.668 -4.451 0.341 1.00 0.00 H new ATOM 0 HG SER A 166 15.316 -3.653 2.136 1.00 0.00 H new ATOM 816 N ALA A 167 12.381 -4.032 0.712 1.00 0.00 N ATOM 817 CA ALA A 167 11.168 -4.038 1.577 1.00 0.00 C ATOM 818 C ALA A 167 9.909 -4.187 0.717 1.00 0.00 C ATOM 819 O ALA A 167 8.918 -3.518 0.930 1.00 0.00 O ATOM 820 CB ALA A 167 11.179 -2.682 2.283 1.00 0.00 C ATOM 0 H ALA A 167 12.378 -3.336 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 167 11.168 -4.866 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 167 10.314 -2.608 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 167 12.092 -2.585 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 167 11.140 -1.885 1.541 1.00 0.00 H new ATOM 826 N MET A 168 9.945 -5.060 -0.251 1.00 0.00 N ATOM 827 CA MET A 168 8.752 -5.254 -1.124 1.00 0.00 C ATOM 828 C MET A 168 8.299 -6.716 -1.077 1.00 0.00 C ATOM 829 O MET A 168 9.083 -7.615 -1.312 1.00 0.00 O ATOM 830 CB MET A 168 9.228 -4.883 -2.529 1.00 0.00 C ATOM 831 CG MET A 168 9.402 -3.366 -2.625 1.00 0.00 C ATOM 832 SD MET A 168 8.216 -2.696 -3.817 1.00 0.00 S ATOM 833 CE MET A 168 9.393 -1.715 -4.778 1.00 0.00 C ATOM 0 H MET A 168 10.748 -5.647 -0.476 1.00 0.00 H new ATOM 0 HA MET A 168 7.903 -4.648 -0.809 1.00 0.00 H new ATOM 0 HB2 MET A 168 10.172 -5.383 -2.749 1.00 0.00 H new ATOM 0 HB3 MET A 168 8.506 -5.225 -3.271 1.00 0.00 H new ATOM 0 HG2 MET A 168 9.249 -2.909 -1.647 1.00 0.00 H new ATOM 0 HG3 MET A 168 10.419 -3.125 -2.933 1.00 0.00 H new ATOM 0 HE1 MET A 168 8.868 -1.204 -5.585 1.00 0.00 H new ATOM 0 HE2 MET A 168 9.867 -0.978 -4.130 1.00 0.00 H new ATOM 0 HE3 MET A 168 10.155 -2.371 -5.199 1.00 0.00 H new ATOM 843 N PRO A 169 7.044 -6.905 -0.771 1.00 0.00 N ATOM 844 CA PRO A 169 6.481 -8.276 -0.689 1.00 0.00 C ATOM 845 C PRO A 169 6.335 -8.879 -2.088 1.00 0.00 C ATOM 846 O PRO A 169 5.344 -8.675 -2.762 1.00 0.00 O ATOM 847 CB PRO A 169 5.117 -8.065 -0.038 1.00 0.00 C ATOM 848 CG PRO A 169 4.752 -6.649 -0.354 1.00 0.00 C ATOM 849 CD PRO A 169 6.040 -5.878 -0.477 1.00 0.00 C ATOM 0 HA PRO A 169 7.111 -8.966 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 169 4.378 -8.761 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 169 5.164 -8.230 1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 169 4.181 -6.596 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 169 4.124 -6.228 0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 169 5.985 -5.135 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 169 6.274 -5.343 0.444 1.00 0.00 H new ATOM 857 N LYS A 170 7.312 -9.623 -2.528 1.00 0.00 N ATOM 858 CA LYS A 170 7.231 -10.243 -3.881 1.00 0.00 C ATOM 859 C LYS A 170 7.278 -9.164 -4.967 1.00 0.00 C ATOM 860 O LYS A 170 6.934 -8.022 -4.738 1.00 0.00 O ATOM 861 CB LYS A 170 5.883 -10.965 -3.905 1.00 0.00 C ATOM 862 CG LYS A 170 6.086 -12.413 -4.354 1.00 0.00 C ATOM 863 CD LYS A 170 4.728 -13.046 -4.660 1.00 0.00 C ATOM 864 CE LYS A 170 4.905 -14.169 -5.684 1.00 0.00 C ATOM 865 NZ LYS A 170 4.075 -13.759 -6.851 1.00 0.00 N ATOM 0 H LYS A 170 8.165 -9.829 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 170 8.063 -10.921 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 170 5.428 -10.941 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 170 5.198 -10.456 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 170 6.722 -12.445 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 170 6.596 -12.979 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 170 4.285 -13.440 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 170 4.043 -12.292 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 170 5.952 -14.286 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 170 4.575 -15.126 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 4.145 -14.480 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 3.083 -13.662 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 4.417 -12.848 -7.217 1.00 0.00 H new ATOM 879 N LYS A 171 7.702 -9.521 -6.148 1.00 0.00 N ATOM 880 CA LYS A 171 7.772 -8.521 -7.252 1.00 0.00 C ATOM 881 C LYS A 171 7.460 -9.198 -8.590 1.00 0.00 C ATOM 882 O LYS A 171 8.297 -9.858 -9.172 1.00 0.00 O ATOM 883 CB LYS A 171 9.212 -8.008 -7.234 1.00 0.00 C ATOM 884 CG LYS A 171 9.212 -6.480 -7.314 1.00 0.00 C ATOM 885 CD LYS A 171 8.981 -6.044 -8.762 1.00 0.00 C ATOM 886 CE LYS A 171 7.571 -5.465 -8.901 1.00 0.00 C ATOM 887 NZ LYS A 171 7.773 -4.064 -9.364 1.00 0.00 N ATOM 0 H LYS A 171 8.003 -10.463 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 171 7.052 -7.712 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 171 9.714 -8.335 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 171 9.769 -8.426 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 171 8.432 -6.072 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 171 10.162 -6.086 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 171 9.722 -5.299 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 171 9.105 -6.894 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 171 6.979 -6.036 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 171 7.037 -5.494 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 6.849 -3.601 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 8.334 -3.543 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 8.277 -4.068 -10.274 1.00 0.00 H new ATOM 901 N ASP A 172 6.260 -9.044 -9.079 1.00 0.00 N ATOM 902 CA ASP A 172 5.898 -9.684 -10.377 1.00 0.00 C ATOM 903 C ASP A 172 5.309 -8.646 -11.336 1.00 0.00 C ATOM 904 O ASP A 172 4.163 -8.258 -11.220 1.00 0.00 O ATOM 905 CB ASP A 172 4.851 -10.740 -10.017 1.00 0.00 C ATOM 906 CG ASP A 172 4.776 -11.787 -11.130 1.00 0.00 C ATOM 907 OD1 ASP A 172 4.057 -11.555 -12.087 1.00 0.00 O ATOM 908 OD2 ASP A 172 5.440 -12.803 -11.005 1.00 0.00 O ATOM 0 H ASP A 172 5.516 -8.504 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 172 6.762 -10.120 -10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 172 5.111 -11.217 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 172 3.877 -10.270 -9.880 1.00 0.00 H new ATOM 913 N ALA A 173 6.085 -8.192 -12.283 1.00 0.00 N ATOM 914 CA ALA A 173 5.571 -7.178 -13.250 1.00 0.00 C ATOM 915 C ALA A 173 4.541 -7.816 -14.187 1.00 0.00 C ATOM 916 O ALA A 173 3.477 -7.277 -14.415 1.00 0.00 O ATOM 917 CB ALA A 173 6.801 -6.722 -14.035 1.00 0.00 C ATOM 0 H ALA A 173 7.053 -8.479 -12.429 1.00 0.00 H new ATOM 0 HA ALA A 173 5.074 -6.346 -12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 173 6.506 -5.973 -14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 173 7.531 -6.291 -13.350 1.00 0.00 H new ATOM 0 HB3 ALA A 173 7.244 -7.577 -14.546 1.00 0.00 H new ATOM 923 N ARG A 174 4.850 -8.962 -14.730 1.00 0.00 N ATOM 924 CA ARG A 174 3.887 -9.633 -15.651 1.00 0.00 C ATOM 925 C ARG A 174 4.406 -11.021 -16.038 1.00 0.00 C ATOM 926 O ARG A 174 5.540 -11.321 -15.705 1.00 0.00 O ATOM 927 CB ARG A 174 3.812 -8.726 -16.879 1.00 0.00 C ATOM 928 CG ARG A 174 5.227 -8.372 -17.341 1.00 0.00 C ATOM 929 CD ARG A 174 5.274 -8.356 -18.871 1.00 0.00 C ATOM 930 NE ARG A 174 5.159 -6.919 -19.243 1.00 0.00 N ATOM 931 CZ ARG A 174 5.348 -6.549 -20.480 1.00 0.00 C ATOM 932 NH1 ARG A 174 6.521 -6.694 -21.033 1.00 0.00 N ATOM 933 NH2 ARG A 174 4.363 -6.031 -21.164 1.00 0.00 N ATOM 934 OXT ARG A 174 3.660 -11.757 -16.661 1.00 0.00 O ATOM 0 H ARG A 174 5.726 -9.462 -14.577 1.00 0.00 H new ATOM 0 HA ARG A 174 2.909 -9.776 -15.192 1.00 0.00 H new ATOM 0 HB2 ARG A 174 3.271 -9.227 -17.682 1.00 0.00 H new ATOM 0 HB3 ARG A 174 3.258 -7.818 -16.640 1.00 0.00 H new ATOM 0 HG2 ARG A 174 5.517 -7.398 -16.947 1.00 0.00 H new ATOM 0 HG3 ARG A 174 5.941 -9.098 -16.952 1.00 0.00 H new ATOM 0 HD2 ARG A 174 6.204 -8.787 -19.242 1.00 0.00 H new ATOM 0 HD3 ARG A 174 4.459 -8.941 -19.297 1.00 0.00 H new ATOM 0 HE ARG A 174 4.933 -6.224 -18.531 1.00 0.00 H new ATOM 0 HH11 ARG A 174 7.291 -7.097 -20.498 1.00 0.00 H new ATOM 0 HH12 ARG A 174 6.668 -6.405 -22.000 1.00 0.00 H new ATOM 0 HH21 ARG A 174 3.447 -5.916 -20.731 1.00 0.00 H new ATOM 0 HH22 ARG A 174 4.510 -5.742 -22.131 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.575 6.441 11.887 1.00 0.00 ZN