USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 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 Single : A 1 KDH O02 : rot -20:sc= 0.0289 USER MOD Single : A 1 KDH O03 : rot -46:sc= -1.47! USER MOD Single : A 1 KDH O1 : rot -2:sc= 0.0413 USER MOD Single : A 1 KDH O10 : rot -176:sc= 0.0834 USER MOD Single : A 1 KDH O44 : rot 160:sc= 0.00838 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0142 USER MOD Single : A 1 KDH O50 : rot 179:sc= 0.0339 USER MOD Single : A 1 KDH O7 : rot -159:sc= 0.0574 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -126:sc= -0.593! USER MOD Single : A 98 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.19! C(o=-4.2!,f=-4!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 148:sc= 0.598 (180deg=0.172) USER MOD Single : A 120 MET CE :methyl -125:sc= -1.68 (180deg=-5.83!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot -72:sc= 0.767 USER MOD Single : A 127 THR OG1 : rot 53:sc= 0.136 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.00978 USER MOD Single : A 137 MET CE :methyl 137:sc= -5.47! (180deg=-11.9!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.14) USER MOD Single : A 144 ASN : amide:sc= -1.02! C(o=-1!,f=-1.1!) USER MOD Single : A 150 TYR OH : rot -96:sc= -1.74! USER MOD Single : A 157 MET CE :methyl -125:sc= -1.96 (180deg=-7.56!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 14.160 8.141 4.592 1.00 2.87 N ATOM 2 CA MET A 90 13.919 6.985 3.681 1.00 2.20 C ATOM 3 C MET A 90 12.423 6.844 3.386 1.00 1.76 C ATOM 4 O MET A 90 11.869 5.765 3.443 1.00 2.23 O ATOM 5 CB MET A 90 14.432 5.764 4.446 1.00 2.68 C ATOM 6 CG MET A 90 15.762 5.307 3.845 1.00 3.11 C ATOM 7 SD MET A 90 15.653 3.554 3.407 1.00 4.08 S ATOM 8 CE MET A 90 15.208 3.782 1.668 1.00 4.71 C ATOM 0 HA MET A 90 14.421 7.106 2.721 1.00 2.20 H new ATOM 0 HB2 MET A 90 14.563 6.010 5.500 1.00 2.68 H new ATOM 0 HB3 MET A 90 13.701 4.957 4.395 1.00 2.68 H new ATOM 0 HG2 MET A 90 15.997 5.900 2.961 1.00 3.11 H new ATOM 0 HG3 MET A 90 16.570 5.465 4.559 1.00 3.11 H new ATOM 0 HE1 MET A 90 15.088 2.809 1.192 1.00 4.71 H new ATOM 0 HE2 MET A 90 14.272 4.336 1.602 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.996 4.339 1.161 1.00 4.71 H new ATOM 20 N GLY A 91 11.765 7.927 3.069 1.00 1.61 N ATOM 21 CA GLY A 91 10.308 7.849 2.769 1.00 1.31 C ATOM 22 C GLY A 91 10.043 6.659 1.847 1.00 1.37 C ATOM 23 O GLY A 91 10.717 6.471 0.853 1.00 1.61 O ATOM 0 H GLY A 91 12.173 8.860 3.005 1.00 1.61 H new ATOM 0 HA2 GLY A 91 9.740 7.741 3.693 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.973 8.772 2.295 1.00 1.31 H new ATOM 27 N LYS A 92 9.070 5.850 2.167 1.00 1.27 N ATOM 28 CA LYS A 92 8.770 4.671 1.305 1.00 1.47 C ATOM 29 C LYS A 92 7.257 4.471 1.176 1.00 1.40 C ATOM 30 O LYS A 92 6.695 4.606 0.108 1.00 1.56 O ATOM 31 CB LYS A 92 9.409 3.483 2.025 1.00 1.61 C ATOM 32 CG LYS A 92 10.304 2.718 1.048 1.00 1.94 C ATOM 33 CD LYS A 92 10.408 1.256 1.485 1.00 2.31 C ATOM 34 CE LYS A 92 10.469 0.355 0.247 1.00 2.59 C ATOM 35 NZ LYS A 92 9.885 -0.949 0.679 1.00 3.20 N ATOM 0 H LYS A 92 8.471 5.954 2.986 1.00 1.27 H new ATOM 0 HA LYS A 92 9.157 4.793 0.293 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.995 3.831 2.876 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.636 2.824 2.419 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.894 2.778 0.040 1.00 1.94 H new ATOM 0 HG3 LYS A 92 11.295 3.170 1.017 1.00 1.94 H new ATOM 0 HD2 LYS A 92 11.298 1.111 2.097 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.550 0.988 2.101 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.904 0.784 -0.580 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.495 0.231 -0.099 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 9.895 -1.615 -0.119 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.447 -1.339 1.462 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.905 -0.803 0.996 1.00 3.20 H new ATOM 49 N SER A 93 6.594 4.143 2.252 1.00 1.38 N ATOM 50 CA SER A 93 5.119 3.928 2.177 1.00 1.40 C ATOM 51 C SER A 93 4.386 4.870 3.137 1.00 1.20 C ATOM 52 O SER A 93 4.979 5.732 3.754 1.00 1.08 O ATOM 53 CB SER A 93 4.911 2.473 2.594 1.00 1.60 C ATOM 54 OG SER A 93 3.610 2.326 3.148 1.00 2.20 O ATOM 0 H SER A 93 7.007 4.015 3.176 1.00 1.38 H new ATOM 0 HA SER A 93 4.727 4.131 1.180 1.00 1.40 H new ATOM 0 HB2 SER A 93 5.029 1.815 1.733 1.00 1.60 H new ATOM 0 HB3 SER A 93 5.665 2.180 3.324 1.00 1.60 H new ATOM 0 HG SER A 93 3.677 1.923 4.039 1.00 2.20 H new ATOM 60 N GLU A 94 3.097 4.707 3.262 1.00 1.26 N ATOM 61 CA GLU A 94 2.314 5.588 4.176 1.00 1.17 C ATOM 62 C GLU A 94 2.973 5.645 5.557 1.00 1.12 C ATOM 63 O GLU A 94 2.776 6.577 6.311 1.00 1.09 O ATOM 64 CB GLU A 94 0.936 4.933 4.261 1.00 1.33 C ATOM 65 CG GLU A 94 0.293 4.928 2.872 1.00 1.28 C ATOM 66 CD GLU A 94 -0.405 3.588 2.634 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.079 2.641 3.331 1.00 2.09 O ATOM 68 OE2 GLU A 94 -1.253 3.532 1.759 1.00 1.94 O ATOM 0 H GLU A 94 2.551 4.000 2.770 1.00 1.26 H new ATOM 0 HA GLU A 94 2.258 6.615 3.815 1.00 1.17 H new ATOM 0 HB2 GLU A 94 1.027 3.914 4.636 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.305 5.476 4.965 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.426 5.743 2.790 1.00 1.28 H new ATOM 0 HG3 GLU A 94 1.052 5.095 2.108 1.00 1.28 H new ATOM 75 N GLU A 95 3.756 4.657 5.894 1.00 1.19 N ATOM 76 CA GLU A 95 4.426 4.663 7.226 1.00 1.23 C ATOM 77 C GLU A 95 5.186 5.978 7.425 1.00 1.03 C ATOM 78 O GLU A 95 4.905 6.737 8.331 1.00 1.01 O ATOM 79 CB GLU A 95 5.395 3.480 7.188 1.00 1.45 C ATOM 80 CG GLU A 95 4.682 2.223 7.688 1.00 1.90 C ATOM 81 CD GLU A 95 5.164 1.009 6.893 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.033 1.029 5.680 1.00 2.66 O ATOM 83 OE2 GLU A 95 5.656 0.078 7.510 1.00 2.49 O ATOM 0 H GLU A 95 3.961 3.848 5.307 1.00 1.19 H new ATOM 0 HA GLU A 95 3.716 4.578 8.049 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.758 3.326 6.172 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.266 3.689 7.809 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.881 2.078 8.750 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.603 2.337 7.579 1.00 1.90 H new ATOM 90 N GLU A 96 6.145 6.253 6.584 1.00 1.02 N ATOM 91 CA GLU A 96 6.919 7.520 6.726 1.00 0.94 C ATOM 92 C GLU A 96 6.345 8.599 5.802 1.00 0.79 C ATOM 93 O GLU A 96 6.537 9.779 6.016 1.00 0.82 O ATOM 94 CB GLU A 96 8.347 7.156 6.317 1.00 1.15 C ATOM 95 CG GLU A 96 8.857 6.023 7.210 1.00 1.62 C ATOM 96 CD GLU A 96 10.309 5.700 6.853 1.00 1.99 C ATOM 97 OE1 GLU A 96 11.166 6.518 7.147 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.540 4.641 6.294 1.00 2.78 O ATOM 0 H GLU A 96 6.426 5.657 5.806 1.00 1.02 H new ATOM 0 HA GLU A 96 6.877 7.922 7.738 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.371 6.849 5.271 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.997 8.027 6.408 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.786 6.313 8.258 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.235 5.137 7.081 1.00 1.62 H new ATOM 105 N LEU A 97 5.638 8.204 4.777 1.00 0.77 N ATOM 106 CA LEU A 97 5.050 9.208 3.843 1.00 0.71 C ATOM 107 C LEU A 97 4.414 10.355 4.637 1.00 0.67 C ATOM 108 O LEU A 97 4.550 11.512 4.294 1.00 0.75 O ATOM 109 CB LEU A 97 3.977 8.443 3.065 1.00 0.80 C ATOM 110 CG LEU A 97 4.417 8.250 1.611 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.883 9.586 1.029 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.565 7.240 1.557 1.00 1.22 C ATOM 0 H LEU A 97 5.442 7.230 4.546 1.00 0.77 H new ATOM 0 HA LEU A 97 5.798 9.648 3.184 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.801 7.474 3.531 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.034 8.989 3.098 1.00 0.80 H new ATOM 0 HG LEU A 97 3.576 7.878 1.026 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.195 9.443 -0.006 1.00 1.40 H new ATOM 0 HD12 LEU A 97 4.064 10.304 1.065 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.723 9.964 1.612 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.879 7.101 0.523 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.404 7.612 2.145 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.230 6.286 1.965 1.00 1.22 H new ATOM 124 N SER A 98 3.718 10.038 5.695 1.00 0.69 N ATOM 125 CA SER A 98 3.068 11.103 6.512 1.00 0.76 C ATOM 126 C SER A 98 4.095 12.164 6.921 1.00 0.72 C ATOM 127 O SER A 98 3.771 13.322 7.088 1.00 0.77 O ATOM 128 CB SER A 98 2.526 10.378 7.742 1.00 0.92 C ATOM 129 OG SER A 98 3.587 10.154 8.660 1.00 1.57 O ATOM 0 H SER A 98 3.571 9.086 6.030 1.00 0.69 H new ATOM 0 HA SER A 98 2.282 11.622 5.963 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.742 10.972 8.212 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.076 9.429 7.450 1.00 0.92 H new ATOM 0 HG SER A 98 3.242 9.690 9.451 1.00 1.57 H new ATOM 135 N ASP A 99 5.331 11.778 7.086 1.00 0.80 N ATOM 136 CA ASP A 99 6.373 12.768 7.483 1.00 0.86 C ATOM 137 C ASP A 99 7.121 13.273 6.245 1.00 0.81 C ATOM 138 O ASP A 99 7.428 14.443 6.128 1.00 0.91 O ATOM 139 CB ASP A 99 7.317 12.000 8.407 1.00 1.02 C ATOM 140 CG ASP A 99 6.524 11.423 9.582 1.00 1.23 C ATOM 141 OD1 ASP A 99 5.943 12.203 10.319 1.00 1.79 O ATOM 142 OD2 ASP A 99 6.511 10.211 9.724 1.00 1.83 O ATOM 0 H ASP A 99 5.664 10.822 6.963 1.00 0.80 H new ATOM 0 HA ASP A 99 5.947 13.643 7.974 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.808 11.197 7.857 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.102 12.662 8.774 1.00 1.02 H new ATOM 147 N LEU A 100 7.414 12.399 5.322 1.00 0.75 N ATOM 148 CA LEU A 100 8.141 12.827 4.091 1.00 0.76 C ATOM 149 C LEU A 100 7.581 14.156 3.577 1.00 0.68 C ATOM 150 O LEU A 100 8.315 15.077 3.279 1.00 0.79 O ATOM 151 CB LEU A 100 7.890 11.712 3.075 1.00 0.86 C ATOM 152 CG LEU A 100 8.780 11.928 1.851 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.233 11.611 2.212 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.323 11.004 0.720 1.00 1.41 C ATOM 0 H LEU A 100 7.182 11.407 5.366 1.00 0.75 H new ATOM 0 HA LEU A 100 9.204 12.982 4.274 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.101 10.742 3.524 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.841 11.705 2.779 1.00 0.86 H new ATOM 0 HG LEU A 100 8.705 12.966 1.527 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.867 11.765 1.339 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.559 12.268 3.018 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.309 10.573 2.537 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.957 11.157 -0.153 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.398 9.966 1.045 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.288 11.230 0.461 1.00 1.41 H new ATOM 166 N PHE A 101 6.284 14.262 3.469 1.00 0.60 N ATOM 167 CA PHE A 101 5.680 15.531 2.974 1.00 0.59 C ATOM 168 C PHE A 101 6.025 16.684 3.920 1.00 0.60 C ATOM 169 O PHE A 101 6.284 17.793 3.495 1.00 0.72 O ATOM 170 CB PHE A 101 4.173 15.275 2.967 1.00 0.61 C ATOM 171 CG PHE A 101 3.496 16.281 2.068 1.00 0.58 C ATOM 172 CD1 PHE A 101 3.315 17.599 2.503 1.00 0.68 C ATOM 173 CD2 PHE A 101 3.048 15.895 0.799 1.00 0.86 C ATOM 174 CE1 PHE A 101 2.687 18.532 1.669 1.00 0.73 C ATOM 175 CE2 PHE A 101 2.419 16.828 -0.035 1.00 0.90 C ATOM 176 CZ PHE A 101 2.239 18.146 0.400 1.00 0.69 C ATOM 0 H PHE A 101 5.618 13.525 3.702 1.00 0.60 H new ATOM 0 HA PHE A 101 6.051 15.809 1.987 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.967 14.263 2.618 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.776 15.351 3.979 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.660 17.896 3.482 1.00 0.68 H new ATOM 0 HD2 PHE A 101 3.187 14.878 0.463 1.00 0.86 H new ATOM 0 HE1 PHE A 101 2.548 19.549 2.005 1.00 0.73 H new ATOM 0 HE2 PHE A 101 2.073 16.530 -1.014 1.00 0.90 H new ATOM 0 HZ PHE A 101 1.754 18.865 -0.243 1.00 0.69 H new ATOM 186 N ARG A 102 6.031 16.430 5.199 1.00 0.67 N ATOM 187 CA ARG A 102 6.361 17.510 6.172 1.00 0.76 C ATOM 188 C ARG A 102 7.785 18.015 5.933 1.00 0.68 C ATOM 189 O ARG A 102 8.096 19.165 6.175 1.00 0.78 O ATOM 190 CB ARG A 102 6.250 16.851 7.547 1.00 0.99 C ATOM 191 CG ARG A 102 5.130 17.520 8.347 1.00 1.30 C ATOM 192 CD ARG A 102 4.381 16.461 9.158 1.00 1.45 C ATOM 193 NE ARG A 102 3.070 17.086 9.486 1.00 2.12 N ATOM 194 CZ ARG A 102 2.166 17.244 8.556 1.00 2.71 C ATOM 195 NH1 ARG A 102 2.404 16.851 7.334 1.00 3.07 N ATOM 196 NH2 ARG A 102 1.020 17.796 8.850 1.00 3.37 N ATOM 0 H ARG A 102 5.822 15.522 5.613 1.00 0.67 H new ATOM 0 HA ARG A 102 5.698 18.370 6.078 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.045 15.786 7.436 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.196 16.940 8.082 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.546 18.277 9.013 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.442 18.031 7.673 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.249 15.544 8.584 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.929 16.195 10.062 1.00 1.45 H new ATOM 0 HE ARG A 102 2.877 17.392 10.440 1.00 2.12 H new ATOM 0 HH11 ARG A 102 3.298 16.419 7.102 1.00 3.07 H new ATOM 0 HH12 ARG A 102 1.696 16.976 6.611 1.00 3.07 H new ATOM 0 HH21 ARG A 102 0.832 18.103 9.804 1.00 3.37 H new ATOM 0 HH22 ARG A 102 0.313 17.920 8.125 1.00 3.37 H new ATOM 210 N MET A 103 8.653 17.164 5.458 1.00 0.71 N ATOM 211 CA MET A 103 10.056 17.597 5.203 1.00 0.75 C ATOM 212 C MET A 103 10.164 18.247 3.822 1.00 0.68 C ATOM 213 O MET A 103 10.943 19.155 3.612 1.00 0.83 O ATOM 214 CB MET A 103 10.883 16.312 5.260 1.00 0.93 C ATOM 215 CG MET A 103 10.828 15.735 6.675 1.00 1.27 C ATOM 216 SD MET A 103 12.400 14.922 7.056 1.00 1.82 S ATOM 217 CE MET A 103 12.413 15.273 8.832 1.00 2.43 C ATOM 0 H MET A 103 8.452 16.189 5.236 1.00 0.71 H new ATOM 0 HA MET A 103 10.401 18.334 5.928 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.497 15.586 4.544 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.916 16.518 4.979 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.633 16.529 7.396 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.008 15.022 6.757 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.314 14.853 9.279 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.398 16.351 8.990 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.535 14.826 9.298 1.00 2.43 H new ATOM 227 N PHE A 104 9.385 17.792 2.879 1.00 0.68 N ATOM 228 CA PHE A 104 9.442 18.388 1.516 1.00 0.79 C ATOM 229 C PHE A 104 8.769 19.763 1.518 1.00 0.71 C ATOM 230 O PHE A 104 9.054 20.607 0.691 1.00 0.88 O ATOM 231 CB PHE A 104 8.678 17.412 0.621 1.00 0.94 C ATOM 232 CG PHE A 104 9.617 16.333 0.138 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.890 16.673 -0.336 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.216 14.991 0.166 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.761 15.673 -0.783 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.088 13.991 -0.281 1.00 2.65 C ATOM 237 CZ PHE A 104 11.360 14.332 -0.756 1.00 2.56 C ATOM 0 H PHE A 104 8.712 17.034 2.994 1.00 0.68 H new ATOM 0 HA PHE A 104 10.465 18.535 1.169 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.850 16.968 1.173 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.247 17.942 -0.229 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.200 17.707 -0.357 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.235 14.728 0.532 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.743 15.936 -1.149 1.00 1.86 H new ATOM 0 HE2 PHE A 104 9.779 12.956 -0.259 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.032 13.560 -1.102 1.00 2.56 H new ATOM 247 N ASP A 105 7.882 19.998 2.447 1.00 0.61 N ATOM 248 CA ASP A 105 7.198 21.321 2.505 1.00 0.60 C ATOM 249 C ASP A 105 8.205 22.408 2.893 1.00 0.56 C ATOM 250 O ASP A 105 8.153 22.960 3.974 1.00 0.63 O ATOM 251 CB ASP A 105 6.127 21.169 3.586 1.00 0.68 C ATOM 252 CG ASP A 105 4.895 21.992 3.205 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.803 22.386 2.055 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.065 22.214 4.071 1.00 1.45 O ATOM 0 H ASP A 105 7.602 19.332 3.167 1.00 0.61 H new ATOM 0 HA ASP A 105 6.765 21.609 1.547 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.855 20.119 3.698 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.517 21.502 4.548 1.00 0.68 H new ATOM 259 N LYS A 106 9.125 22.712 2.019 1.00 0.59 N ATOM 260 CA LYS A 106 10.142 23.757 2.334 1.00 0.66 C ATOM 261 C LYS A 106 9.470 24.997 2.931 1.00 0.55 C ATOM 262 O LYS A 106 9.941 25.564 3.897 1.00 0.63 O ATOM 263 CB LYS A 106 10.792 24.092 0.991 1.00 0.87 C ATOM 264 CG LYS A 106 12.314 24.045 1.134 1.00 1.21 C ATOM 265 CD LYS A 106 12.916 25.352 0.614 1.00 1.61 C ATOM 266 CE LYS A 106 12.946 26.384 1.742 1.00 1.77 C ATOM 267 NZ LYS A 106 14.031 27.333 1.365 1.00 2.14 N ATOM 0 H LYS A 106 9.217 22.282 1.099 1.00 0.59 H new ATOM 0 HA LYS A 106 10.871 23.413 3.068 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.466 23.383 0.230 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.478 25.082 0.660 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.587 23.897 2.179 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.716 23.200 0.576 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.925 25.177 0.240 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.327 25.729 -0.222 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.988 26.896 1.835 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.150 25.913 2.703 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.113 28.072 2.092 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.932 26.819 1.291 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.806 27.771 0.449 1.00 2.14 H new ATOM 281 N ASN A 107 8.376 25.425 2.363 1.00 0.48 N ATOM 282 CA ASN A 107 7.681 26.631 2.900 1.00 0.50 C ATOM 283 C ASN A 107 6.998 26.304 4.231 1.00 0.58 C ATOM 284 O ASN A 107 6.417 27.161 4.867 1.00 0.70 O ATOM 285 CB ASN A 107 6.641 26.993 1.839 1.00 0.54 C ATOM 286 CG ASN A 107 5.621 27.965 2.434 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.967 28.814 3.231 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.368 27.876 2.079 1.00 0.78 N ATOM 0 H ASN A 107 7.933 24.993 1.552 1.00 0.48 H new ATOM 0 HA ASN A 107 8.371 27.452 3.093 1.00 0.50 H new ATOM 0 HB2 ASN A 107 7.129 27.445 0.976 1.00 0.54 H new ATOM 0 HB3 ASN A 107 6.138 26.093 1.486 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.680 28.519 2.471 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.077 27.163 1.410 1.00 0.78 H new ATOM 295 N ALA A 108 7.062 25.073 4.657 1.00 0.65 N ATOM 296 CA ALA A 108 6.415 24.698 5.947 1.00 0.84 C ATOM 297 C ALA A 108 5.028 25.338 6.049 1.00 0.78 C ATOM 298 O ALA A 108 4.795 26.209 6.864 1.00 0.96 O ATOM 299 CB ALA A 108 7.340 25.252 7.030 1.00 1.03 C ATOM 0 H ALA A 108 7.533 24.311 4.169 1.00 0.65 H new ATOM 0 HA ALA A 108 6.276 23.621 6.041 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.932 25.016 8.013 1.00 1.03 H new ATOM 0 HB2 ALA A 108 8.328 24.802 6.930 1.00 1.03 H new ATOM 0 HB3 ALA A 108 7.421 26.333 6.921 1.00 1.03 H new ATOM 305 N ASP A 109 4.106 24.915 5.229 1.00 0.73 N ATOM 306 CA ASP A 109 2.737 25.501 5.283 1.00 0.74 C ATOM 307 C ASP A 109 1.688 24.387 5.328 1.00 0.78 C ATOM 308 O ASP A 109 0.501 24.640 5.387 1.00 0.96 O ATOM 309 CB ASP A 109 2.602 26.317 3.997 1.00 0.72 C ATOM 310 CG ASP A 109 2.714 25.389 2.787 1.00 1.15 C ATOM 311 OD1 ASP A 109 3.439 24.412 2.878 1.00 1.66 O ATOM 312 OD2 ASP A 109 2.074 25.673 1.788 1.00 1.95 O ATOM 0 H ASP A 109 4.241 24.190 4.525 1.00 0.73 H new ATOM 0 HA ASP A 109 2.585 26.116 6.170 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.644 26.836 3.983 1.00 0.72 H new ATOM 0 HB3 ASP A 109 3.379 27.081 3.956 1.00 0.72 H new ATOM 317 N GLY A 110 2.118 23.154 5.305 1.00 0.76 N ATOM 318 CA GLY A 110 1.147 22.025 5.350 1.00 0.85 C ATOM 319 C GLY A 110 0.813 21.573 3.928 1.00 0.70 C ATOM 320 O GLY A 110 0.361 20.467 3.708 1.00 0.73 O ATOM 0 H GLY A 110 3.100 22.881 5.257 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.567 21.194 5.916 1.00 0.85 H new ATOM 0 HA3 GLY A 110 0.238 22.335 5.866 1.00 0.85 H new ATOM 324 N TYR A 111 1.029 22.420 2.958 1.00 0.68 N ATOM 325 CA TYR A 111 0.717 22.033 1.552 1.00 0.60 C ATOM 326 C TYR A 111 1.822 22.511 0.607 1.00 0.58 C ATOM 327 O TYR A 111 2.221 23.657 0.633 1.00 0.83 O ATOM 328 CB TYR A 111 -0.601 22.739 1.234 1.00 0.68 C ATOM 329 CG TYR A 111 -1.679 22.239 2.165 1.00 0.68 C ATOM 330 CD1 TYR A 111 -1.725 22.688 3.491 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.633 21.327 1.701 1.00 0.71 C ATOM 332 CE1 TYR A 111 -2.727 22.223 4.352 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.635 20.862 2.562 1.00 0.78 C ATOM 334 CZ TYR A 111 -3.681 21.310 3.888 1.00 0.80 C ATOM 335 OH TYR A 111 -4.669 20.852 4.736 1.00 0.90 O ATOM 0 H TYR A 111 1.407 23.360 3.077 1.00 0.68 H new ATOM 0 HA TYR A 111 0.645 20.952 1.429 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.483 23.817 1.343 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.885 22.552 0.198 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -0.989 23.392 3.849 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.597 20.981 0.678 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -2.764 22.569 5.374 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -4.372 20.158 2.204 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.249 20.226 4.255 1.00 0.90 H new ATOM 345 N ILE A 112 2.316 21.642 -0.231 1.00 0.50 N ATOM 346 CA ILE A 112 3.392 22.048 -1.181 1.00 0.50 C ATOM 347 C ILE A 112 2.777 22.712 -2.417 1.00 0.49 C ATOM 348 O ILE A 112 1.898 22.165 -3.054 1.00 0.66 O ATOM 349 CB ILE A 112 4.097 20.746 -1.559 1.00 0.50 C ATOM 350 CG1 ILE A 112 5.009 20.310 -0.409 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.936 20.964 -2.819 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.194 18.792 -0.451 1.00 0.66 C ATOM 0 H ILE A 112 2.022 20.668 -0.300 1.00 0.50 H new ATOM 0 HA ILE A 112 4.083 22.770 -0.745 1.00 0.50 H new ATOM 0 HB ILE A 112 3.353 19.973 -1.749 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.976 20.807 -0.489 1.00 0.62 H new ATOM 0 HG13 ILE A 112 4.576 20.608 0.546 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.438 20.034 -3.087 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.288 21.276 -3.638 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.681 21.737 -2.631 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.843 18.482 0.368 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.224 18.304 -0.350 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.646 18.507 -1.401 1.00 0.66 H new ATOM 364 N ASP A 113 3.229 23.888 -2.760 1.00 0.47 N ATOM 365 CA ASP A 113 2.665 24.586 -3.953 1.00 0.50 C ATOM 366 C ASP A 113 3.492 24.267 -5.203 1.00 0.50 C ATOM 367 O ASP A 113 4.423 23.487 -5.162 1.00 0.57 O ATOM 368 CB ASP A 113 2.747 26.075 -3.616 1.00 0.60 C ATOM 369 CG ASP A 113 1.535 26.798 -4.205 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.494 26.786 -3.567 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.667 27.351 -5.284 1.00 1.85 O ATOM 0 H ASP A 113 3.963 24.396 -2.267 1.00 0.47 H new ATOM 0 HA ASP A 113 1.643 24.272 -4.167 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.777 26.213 -2.535 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.667 26.499 -4.017 1.00 0.60 H new ATOM 376 N LEU A 114 3.153 24.862 -6.315 1.00 0.52 N ATOM 377 CA LEU A 114 3.912 24.592 -7.572 1.00 0.57 C ATOM 378 C LEU A 114 5.344 25.127 -7.465 1.00 0.63 C ATOM 379 O LEU A 114 6.213 24.753 -8.227 1.00 0.80 O ATOM 380 CB LEU A 114 3.145 25.341 -8.663 1.00 0.62 C ATOM 381 CG LEU A 114 2.199 24.377 -9.378 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.967 25.140 -9.864 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.918 23.755 -10.578 1.00 0.81 C ATOM 0 H LEU A 114 2.383 25.524 -6.408 1.00 0.52 H new ATOM 0 HA LEU A 114 3.991 23.525 -7.780 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.580 26.163 -8.225 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.843 25.779 -9.377 1.00 0.62 H new ATOM 0 HG LEU A 114 1.892 23.590 -8.689 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.292 24.453 -10.374 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.455 25.586 -9.011 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.274 25.926 -10.554 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.245 23.067 -11.089 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.224 24.542 -11.267 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.798 23.212 -10.233 1.00 0.81 H new ATOM 395 N ASP A 115 5.595 26.005 -6.534 1.00 0.61 N ATOM 396 CA ASP A 115 6.972 26.564 -6.393 1.00 0.71 C ATOM 397 C ASP A 115 7.804 25.717 -5.422 1.00 0.65 C ATOM 398 O ASP A 115 8.946 25.399 -5.687 1.00 0.89 O ATOM 399 CB ASP A 115 6.772 27.975 -5.837 1.00 0.80 C ATOM 400 CG ASP A 115 6.725 28.976 -6.992 1.00 1.17 C ATOM 401 OD1 ASP A 115 5.807 28.887 -7.791 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.608 29.816 -7.058 1.00 1.76 O ATOM 0 H ASP A 115 4.910 26.360 -5.866 1.00 0.61 H new ATOM 0 HA ASP A 115 7.509 26.569 -7.342 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.847 28.023 -5.262 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.584 28.228 -5.156 1.00 0.80 H new ATOM 407 N GLU A 116 7.245 25.356 -4.299 1.00 0.51 N ATOM 408 CA GLU A 116 8.012 24.538 -3.313 1.00 0.48 C ATOM 409 C GLU A 116 8.274 23.132 -3.863 1.00 0.49 C ATOM 410 O GLU A 116 9.042 22.373 -3.307 1.00 0.63 O ATOM 411 CB GLU A 116 7.118 24.466 -2.075 1.00 0.48 C ATOM 412 CG GLU A 116 7.062 25.838 -1.400 1.00 0.57 C ATOM 413 CD GLU A 116 5.602 26.259 -1.226 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.765 25.727 -1.936 1.00 1.36 O ATOM 415 OE2 GLU A 116 5.346 27.105 -0.385 1.00 1.19 O ATOM 0 H GLU A 116 6.292 25.591 -4.021 1.00 0.51 H new ATOM 0 HA GLU A 116 8.986 24.976 -3.093 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.115 24.147 -2.357 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.504 23.722 -1.378 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.559 25.799 -0.431 1.00 0.57 H new ATOM 0 HG3 GLU A 116 7.595 26.574 -2.002 1.00 0.57 H new ATOM 422 N LEU A 117 7.641 22.777 -4.947 1.00 0.48 N ATOM 423 CA LEU A 117 7.857 21.417 -5.521 1.00 0.52 C ATOM 424 C LEU A 117 9.251 21.318 -6.148 1.00 0.58 C ATOM 425 O LEU A 117 10.119 20.629 -5.651 1.00 0.69 O ATOM 426 CB LEU A 117 6.776 21.261 -6.592 1.00 0.55 C ATOM 427 CG LEU A 117 5.458 20.846 -5.934 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.341 20.861 -6.978 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.594 19.435 -5.359 1.00 0.53 C ATOM 0 H LEU A 117 6.985 23.367 -5.459 1.00 0.48 H new ATOM 0 HA LEU A 117 7.796 20.637 -4.762 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.646 22.199 -7.131 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.080 20.513 -7.324 1.00 0.55 H new ATOM 0 HG LEU A 117 5.219 21.544 -5.132 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.402 20.566 -6.510 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.241 21.865 -7.390 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.583 20.163 -7.779 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.655 19.141 -4.891 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.834 18.737 -6.161 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.390 19.421 -4.615 1.00 0.53 H new ATOM 441 N LYS A 118 9.470 21.997 -7.239 1.00 0.59 N ATOM 442 CA LYS A 118 10.806 21.939 -7.901 1.00 0.69 C ATOM 443 C LYS A 118 11.929 22.020 -6.861 1.00 0.64 C ATOM 444 O LYS A 118 13.027 21.551 -7.085 1.00 0.73 O ATOM 445 CB LYS A 118 10.843 23.159 -8.822 1.00 0.83 C ATOM 446 CG LYS A 118 10.727 24.434 -7.984 1.00 0.99 C ATOM 447 CD LYS A 118 10.300 25.598 -8.880 1.00 1.35 C ATOM 448 CE LYS A 118 11.113 26.844 -8.522 1.00 1.51 C ATOM 449 NZ LYS A 118 10.417 27.433 -7.345 1.00 1.99 N ATOM 0 H LYS A 118 8.782 22.591 -7.702 1.00 0.59 H new ATOM 0 HA LYS A 118 10.951 21.006 -8.446 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.772 23.169 -9.393 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.027 23.109 -9.543 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.000 24.291 -7.185 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.682 24.658 -7.510 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.454 25.339 -9.928 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.236 25.797 -8.753 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.145 26.587 -8.282 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.145 27.547 -9.354 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.112 27.898 -6.727 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 9.719 28.132 -7.669 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.933 26.680 -6.815 1.00 1.99 H new ATOM 463 N ILE A 119 11.667 22.617 -5.730 1.00 0.68 N ATOM 464 CA ILE A 119 12.728 22.731 -4.687 1.00 0.74 C ATOM 465 C ILE A 119 12.636 21.570 -3.691 1.00 0.75 C ATOM 466 O ILE A 119 13.571 21.287 -2.970 1.00 0.85 O ATOM 467 CB ILE A 119 12.454 24.066 -3.991 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.943 25.213 -4.879 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.194 24.111 -2.652 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.362 26.534 -4.372 1.00 1.06 C ATOM 0 H ILE A 119 10.768 23.030 -5.483 1.00 0.68 H new ATOM 0 HA ILE A 119 13.730 22.691 -5.115 1.00 0.74 H new ATOM 0 HB ILE A 119 11.383 24.168 -3.816 1.00 0.98 H new ATOM 0 HG12 ILE A 119 14.032 25.255 -4.870 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.639 25.042 -5.912 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.997 25.063 -2.159 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.848 23.295 -2.017 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.265 24.007 -2.825 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.710 27.351 -5.004 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.273 26.489 -4.404 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.688 26.705 -3.346 1.00 1.06 H new ATOM 482 N MET A 120 11.520 20.893 -3.643 1.00 0.85 N ATOM 483 CA MET A 120 11.389 19.753 -2.688 1.00 1.01 C ATOM 484 C MET A 120 12.315 18.607 -3.112 1.00 0.95 C ATOM 485 O MET A 120 12.886 17.918 -2.291 1.00 1.11 O ATOM 486 CB MET A 120 9.910 19.337 -2.755 1.00 1.17 C ATOM 487 CG MET A 120 9.695 18.291 -3.856 1.00 1.52 C ATOM 488 SD MET A 120 7.960 17.775 -3.867 1.00 1.88 S ATOM 489 CE MET A 120 8.133 16.384 -2.723 1.00 1.43 C ATOM 0 H MET A 120 10.699 21.077 -4.219 1.00 0.85 H new ATOM 0 HA MET A 120 11.675 20.022 -1.671 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.597 18.931 -1.793 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.289 20.211 -2.950 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.968 18.707 -4.826 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.341 17.430 -3.685 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.748 15.478 -3.191 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.185 16.246 -2.475 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.570 16.589 -1.813 1.00 1.43 H new ATOM 499 N LEU A 121 12.466 18.404 -4.393 1.00 0.87 N ATOM 500 CA LEU A 121 13.353 17.309 -4.876 1.00 0.95 C ATOM 501 C LEU A 121 14.791 17.818 -5.008 1.00 0.87 C ATOM 502 O LEU A 121 15.724 17.049 -5.136 1.00 0.97 O ATOM 503 CB LEU A 121 12.791 16.922 -6.246 1.00 1.09 C ATOM 504 CG LEU A 121 12.106 15.558 -6.153 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.096 14.523 -5.617 1.00 2.03 C ATOM 506 CD2 LEU A 121 10.907 15.654 -5.207 1.00 1.80 C ATOM 0 H LEU A 121 12.013 18.950 -5.126 1.00 0.87 H new ATOM 0 HA LEU A 121 13.377 16.461 -4.192 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.079 17.675 -6.584 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.593 16.888 -6.983 1.00 1.09 H new ATOM 0 HG LEU A 121 11.766 15.255 -7.143 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.607 13.551 -5.551 1.00 2.03 H new ATOM 0 HD12 LEU A 121 13.950 14.454 -6.290 1.00 2.03 H new ATOM 0 HD13 LEU A 121 13.438 14.825 -4.627 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.418 14.682 -5.140 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.248 15.958 -4.217 1.00 1.80 H new ATOM 0 HD23 LEU A 121 10.200 16.390 -5.589 1.00 1.80 H new ATOM 518 N GLN A 122 14.977 19.110 -4.978 1.00 0.82 N ATOM 519 CA GLN A 122 16.354 19.671 -5.101 1.00 0.95 C ATOM 520 C GLN A 122 17.320 18.905 -4.193 1.00 1.04 C ATOM 521 O GLN A 122 18.506 18.839 -4.448 1.00 1.19 O ATOM 522 CB GLN A 122 16.231 21.126 -4.645 1.00 1.14 C ATOM 523 CG GLN A 122 16.823 22.048 -5.712 1.00 1.42 C ATOM 524 CD GLN A 122 17.640 23.152 -5.037 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.846 23.053 -4.931 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.028 24.207 -4.572 1.00 2.28 N ATOM 0 H GLN A 122 14.235 19.802 -4.874 1.00 0.82 H new ATOM 0 HA GLN A 122 16.742 19.593 -6.116 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.184 21.377 -4.473 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.752 21.267 -3.698 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.456 21.476 -6.391 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.026 22.486 -6.312 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.015 24.290 -4.661 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.562 24.949 -4.119 1.00 2.28 H new ATOM 535 N ALA A 123 16.821 18.326 -3.136 1.00 1.09 N ATOM 536 CA ALA A 123 17.710 17.565 -2.212 1.00 1.33 C ATOM 537 C ALA A 123 18.331 16.369 -2.938 1.00 1.38 C ATOM 538 O ALA A 123 19.339 15.834 -2.522 1.00 1.62 O ATOM 539 CB ALA A 123 16.794 17.093 -1.083 1.00 1.45 C ATOM 0 H ALA A 123 15.836 18.347 -2.872 1.00 1.09 H new ATOM 0 HA ALA A 123 18.536 18.171 -1.840 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.374 16.523 -0.358 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.348 17.957 -0.591 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.006 16.462 -1.494 1.00 1.45 H new ATOM 545 N THR A 124 17.738 15.946 -4.021 1.00 1.29 N ATOM 546 CA THR A 124 18.298 14.785 -4.772 1.00 1.47 C ATOM 547 C THR A 124 19.144 15.277 -5.950 1.00 1.44 C ATOM 548 O THR A 124 20.098 14.640 -6.350 1.00 1.72 O ATOM 549 CB THR A 124 17.080 14.011 -5.278 1.00 1.56 C ATOM 550 OG1 THR A 124 16.350 14.823 -6.187 1.00 2.16 O ATOM 551 CG2 THR A 124 16.185 13.632 -4.098 1.00 1.92 C ATOM 0 H THR A 124 16.891 16.353 -4.418 1.00 1.29 H new ATOM 0 HA THR A 124 18.944 14.166 -4.150 1.00 1.47 H new ATOM 0 HB THR A 124 17.411 13.104 -5.784 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.893 15.536 -5.694 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.318 13.081 -4.461 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.746 13.009 -3.402 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.852 14.536 -3.588 1.00 1.92 H new ATOM 559 N GLY A 125 18.798 16.404 -6.510 1.00 1.26 N ATOM 560 CA GLY A 125 19.578 16.934 -7.664 1.00 1.32 C ATOM 561 C GLY A 125 18.693 16.952 -8.910 1.00 1.26 C ATOM 562 O GLY A 125 19.154 16.742 -10.014 1.00 1.63 O ATOM 0 H GLY A 125 18.009 16.981 -6.218 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.936 17.940 -7.444 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.457 16.314 -7.838 1.00 1.32 H new ATOM 566 N GLU A 126 17.423 17.200 -8.742 1.00 1.02 N ATOM 567 CA GLU A 126 16.506 17.231 -9.917 1.00 1.08 C ATOM 568 C GLU A 126 16.878 18.387 -10.849 1.00 0.89 C ATOM 569 O GLU A 126 16.419 19.500 -10.686 1.00 0.87 O ATOM 570 CB GLU A 126 15.113 17.448 -9.324 1.00 1.34 C ATOM 571 CG GLU A 126 15.117 18.713 -8.464 1.00 1.45 C ATOM 572 CD GLU A 126 14.104 19.715 -9.022 1.00 1.61 C ATOM 573 OE1 GLU A 126 12.925 19.541 -8.763 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.525 20.639 -9.699 1.00 2.16 O ATOM 0 H GLU A 126 16.980 17.383 -7.841 1.00 1.02 H new ATOM 0 HA GLU A 126 16.561 16.317 -10.508 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.376 17.540 -10.122 1.00 1.34 H new ATOM 0 HB3 GLU A 126 14.824 16.587 -8.722 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.868 18.465 -7.432 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.113 19.155 -8.454 1.00 1.45 H new ATOM 581 N THR A 127 17.704 18.133 -11.827 1.00 1.09 N ATOM 582 CA THR A 127 18.098 19.222 -12.767 1.00 1.21 C ATOM 583 C THR A 127 17.452 18.997 -14.136 1.00 1.29 C ATOM 584 O THR A 127 17.979 18.294 -14.975 1.00 1.60 O ATOM 585 CB THR A 127 19.621 19.125 -12.869 1.00 1.57 C ATOM 586 OG1 THR A 127 20.002 17.759 -12.953 1.00 1.91 O ATOM 587 CG2 THR A 127 20.258 19.761 -11.633 1.00 2.18 C ATOM 0 H THR A 127 18.122 17.222 -12.016 1.00 1.09 H new ATOM 0 HA THR A 127 17.775 20.204 -12.421 1.00 1.21 H new ATOM 0 HB THR A 127 19.961 19.652 -13.761 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.506 17.325 -13.678 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.343 19.691 -11.706 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.965 20.809 -11.571 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.921 19.237 -10.739 1.00 2.18 H new ATOM 595 N ILE A 128 16.314 19.594 -14.369 1.00 1.08 N ATOM 596 CA ILE A 128 15.633 19.420 -15.684 1.00 1.20 C ATOM 597 C ILE A 128 15.096 20.767 -16.178 1.00 1.18 C ATOM 598 O ILE A 128 15.098 21.746 -15.459 1.00 1.15 O ATOM 599 CB ILE A 128 14.487 18.444 -15.412 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.370 19.161 -14.648 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.003 17.272 -14.574 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.350 18.133 -14.153 1.00 2.03 C ATOM 0 H ILE A 128 15.826 20.195 -13.705 1.00 1.08 H new ATOM 0 HA ILE A 128 16.306 19.045 -16.455 1.00 1.20 H new ATOM 0 HB ILE A 128 14.097 18.073 -16.360 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.787 19.711 -13.804 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.883 19.891 -15.295 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.187 16.576 -14.380 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.796 16.758 -15.117 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.394 17.646 -13.628 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.555 18.642 -13.609 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.925 17.603 -15.005 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.843 17.421 -13.492 1.00 2.03 H new ATOM 614 N THR A 129 14.634 20.825 -17.397 1.00 1.34 N ATOM 615 CA THR A 129 14.096 22.112 -17.925 1.00 1.42 C ATOM 616 C THR A 129 12.903 22.567 -17.080 1.00 1.16 C ATOM 617 O THR A 129 12.262 21.775 -16.419 1.00 0.97 O ATOM 618 CB THR A 129 13.653 21.802 -19.355 1.00 1.64 C ATOM 619 OG1 THR A 129 14.732 21.209 -20.065 1.00 2.23 O ATOM 620 CG2 THR A 129 13.228 23.096 -20.051 1.00 2.28 C ATOM 0 H THR A 129 14.605 20.041 -18.048 1.00 1.34 H new ATOM 0 HA THR A 129 14.834 22.913 -17.894 1.00 1.42 H new ATOM 0 HB THR A 129 12.810 21.111 -19.334 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.449 21.008 -20.982 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.912 22.874 -21.070 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.400 23.548 -19.505 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.069 23.790 -20.074 1.00 2.28 H new ATOM 628 N GLU A 130 12.600 23.835 -17.097 1.00 1.31 N ATOM 629 CA GLU A 130 11.448 24.335 -16.293 1.00 1.28 C ATOM 630 C GLU A 130 10.138 23.751 -16.828 1.00 1.16 C ATOM 631 O GLU A 130 9.256 23.388 -16.075 1.00 1.21 O ATOM 632 CB GLU A 130 11.469 25.854 -16.469 1.00 1.69 C ATOM 633 CG GLU A 130 10.209 26.459 -15.844 1.00 2.05 C ATOM 634 CD GLU A 130 10.568 27.122 -14.513 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.592 27.784 -14.460 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.813 26.958 -13.569 1.00 3.03 O ATOM 0 H GLU A 130 13.099 24.546 -17.632 1.00 1.31 H new ATOM 0 HA GLU A 130 11.521 24.046 -15.244 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.358 26.273 -15.998 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.520 26.107 -17.528 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.770 27.192 -16.521 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.460 25.683 -15.686 1.00 2.05 H new ATOM 643 N ASP A 131 10.003 23.658 -18.123 1.00 1.18 N ATOM 644 CA ASP A 131 8.749 23.099 -18.705 1.00 1.19 C ATOM 645 C ASP A 131 8.478 21.701 -18.141 1.00 1.07 C ATOM 646 O ASP A 131 7.359 21.228 -18.140 1.00 1.14 O ATOM 647 CB ASP A 131 9.007 23.029 -20.211 1.00 1.44 C ATOM 648 CG ASP A 131 7.677 22.871 -20.950 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.956 21.937 -20.639 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.402 23.686 -21.815 1.00 2.07 O ATOM 0 H ASP A 131 10.707 23.945 -18.803 1.00 1.18 H new ATOM 0 HA ASP A 131 7.878 23.710 -18.468 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.516 23.933 -20.546 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.664 22.190 -20.439 1.00 1.44 H new ATOM 655 N ASP A 132 9.493 21.037 -17.660 1.00 1.00 N ATOM 656 CA ASP A 132 9.288 19.671 -17.096 1.00 1.03 C ATOM 657 C ASP A 132 8.807 19.767 -15.646 1.00 0.88 C ATOM 658 O ASP A 132 8.291 18.819 -15.088 1.00 1.03 O ATOM 659 CB ASP A 132 10.662 19.002 -17.162 1.00 1.13 C ATOM 660 CG ASP A 132 10.715 18.060 -18.366 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.754 18.555 -19.480 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.716 16.858 -18.154 1.00 1.99 O ATOM 0 H ASP A 132 10.453 21.379 -17.633 1.00 1.00 H new ATOM 0 HA ASP A 132 8.535 19.106 -17.645 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.443 19.758 -17.244 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.852 18.446 -16.244 1.00 1.13 H new ATOM 667 N ILE A 133 8.973 20.907 -15.031 1.00 0.75 N ATOM 668 CA ILE A 133 8.525 21.064 -13.618 1.00 0.77 C ATOM 669 C ILE A 133 6.998 20.979 -13.531 1.00 0.70 C ATOM 670 O ILE A 133 6.452 20.137 -12.847 1.00 0.82 O ATOM 671 CB ILE A 133 9.008 22.453 -13.202 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.536 22.457 -13.114 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.420 22.812 -11.836 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.983 21.570 -11.951 1.00 1.00 C ATOM 0 H ILE A 133 9.399 21.736 -15.446 1.00 0.75 H new ATOM 0 HA ILE A 133 8.922 20.282 -12.971 1.00 0.77 H new ATOM 0 HB ILE A 133 8.683 23.185 -13.941 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.965 22.094 -14.048 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.900 23.474 -12.970 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.765 23.803 -11.540 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.332 22.810 -11.896 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.744 22.079 -11.097 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.071 21.573 -11.889 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.565 21.953 -11.020 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.632 20.551 -12.115 1.00 1.00 H new ATOM 686 N GLU A 134 6.305 21.847 -14.219 1.00 0.61 N ATOM 687 CA GLU A 134 4.814 21.815 -14.173 1.00 0.64 C ATOM 688 C GLU A 134 4.304 20.409 -14.499 1.00 0.64 C ATOM 689 O GLU A 134 3.216 20.028 -14.115 1.00 0.76 O ATOM 690 CB GLU A 134 4.363 22.809 -15.244 1.00 0.73 C ATOM 691 CG GLU A 134 4.418 24.230 -14.680 1.00 0.89 C ATOM 692 CD GLU A 134 2.996 24.776 -14.533 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.400 24.548 -13.493 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.528 25.412 -15.463 1.00 1.86 O ATOM 0 H GLU A 134 6.706 22.575 -14.810 1.00 0.61 H new ATOM 0 HA GLU A 134 4.426 22.073 -13.187 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.005 22.730 -16.121 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.349 22.575 -15.569 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.921 24.230 -13.713 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.999 24.873 -15.341 1.00 0.89 H new ATOM 701 N GLU A 135 5.079 19.636 -15.208 1.00 0.59 N ATOM 702 CA GLU A 135 4.637 18.256 -15.561 1.00 0.67 C ATOM 703 C GLU A 135 4.535 17.391 -14.301 1.00 0.74 C ATOM 704 O GLU A 135 3.668 16.549 -14.184 1.00 0.91 O ATOM 705 CB GLU A 135 5.722 17.720 -16.494 1.00 0.72 C ATOM 706 CG GLU A 135 5.335 16.321 -16.977 1.00 1.16 C ATOM 707 CD GLU A 135 4.328 16.436 -18.123 1.00 1.56 C ATOM 708 OE1 GLU A 135 4.368 17.435 -18.823 1.00 2.29 O ATOM 709 OE2 GLU A 135 3.534 15.524 -18.281 1.00 2.03 O ATOM 0 H GLU A 135 6.000 19.900 -15.559 1.00 0.59 H new ATOM 0 HA GLU A 135 3.653 18.246 -16.031 1.00 0.67 H new ATOM 0 HB2 GLU A 135 5.847 18.389 -17.346 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.679 17.685 -15.974 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.222 15.782 -17.311 1.00 1.16 H new ATOM 0 HG3 GLU A 135 4.904 15.748 -16.156 1.00 1.16 H new ATOM 716 N LEU A 136 5.416 17.590 -13.359 1.00 0.73 N ATOM 717 CA LEU A 136 5.368 16.777 -12.110 1.00 0.87 C ATOM 718 C LEU A 136 4.168 17.189 -11.254 1.00 0.81 C ATOM 719 O LEU A 136 3.603 16.390 -10.533 1.00 1.00 O ATOM 720 CB LEU A 136 6.677 17.090 -11.384 1.00 0.99 C ATOM 721 CG LEU A 136 7.804 16.239 -11.973 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.074 17.083 -12.091 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.070 15.043 -11.057 1.00 1.75 C ATOM 0 H LEU A 136 6.166 18.280 -13.400 1.00 0.73 H new ATOM 0 HA LEU A 136 5.259 15.712 -12.315 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.916 18.149 -11.484 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.572 16.886 -10.318 1.00 0.99 H new ATOM 0 HG LEU A 136 7.512 15.883 -12.961 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.876 16.476 -12.511 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.885 17.936 -12.743 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.367 17.439 -11.103 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.873 14.436 -11.475 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.362 15.399 -10.069 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.165 14.441 -10.973 1.00 1.75 H new ATOM 735 N MET A 137 3.774 18.431 -11.327 1.00 0.67 N ATOM 736 CA MET A 137 2.611 18.893 -10.516 1.00 0.71 C ATOM 737 C MET A 137 1.317 18.262 -11.037 1.00 0.68 C ATOM 738 O MET A 137 0.313 18.229 -10.354 1.00 0.70 O ATOM 739 CB MET A 137 2.581 20.411 -10.696 1.00 0.82 C ATOM 740 CG MET A 137 1.345 20.984 -10.000 1.00 0.99 C ATOM 741 SD MET A 137 1.262 20.361 -8.302 1.00 0.94 S ATOM 742 CE MET A 137 0.598 21.863 -7.543 1.00 0.53 C ATOM 0 H MET A 137 4.206 19.146 -11.913 1.00 0.67 H new ATOM 0 HA MET A 137 2.700 18.609 -9.467 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.485 20.855 -10.279 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.563 20.662 -11.757 1.00 0.82 H new ATOM 0 HG2 MET A 137 1.389 22.073 -9.997 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.444 20.703 -10.546 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.187 21.597 -6.836 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.396 22.389 -7.018 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.185 22.510 -8.317 1.00 0.53 H new ATOM 752 N LYS A 138 1.332 17.762 -12.243 1.00 0.76 N ATOM 753 CA LYS A 138 0.101 17.135 -12.804 1.00 0.82 C ATOM 754 C LYS A 138 -0.383 16.009 -11.886 1.00 0.72 C ATOM 755 O LYS A 138 -1.547 15.928 -11.546 1.00 0.84 O ATOM 756 CB LYS A 138 0.523 16.576 -14.163 1.00 0.99 C ATOM 757 CG LYS A 138 -0.607 15.716 -14.734 1.00 1.57 C ATOM 758 CD LYS A 138 -0.884 16.129 -16.181 1.00 2.09 C ATOM 759 CE LYS A 138 0.099 15.418 -17.113 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.753 14.586 -18.008 1.00 3.43 N ATOM 0 H LYS A 138 2.142 17.761 -12.863 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.720 17.846 -12.895 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.755 17.392 -14.848 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.430 15.981 -14.058 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.332 14.662 -14.692 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -1.508 15.835 -14.132 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -1.908 15.874 -16.453 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.785 17.209 -16.287 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.690 16.134 -17.684 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.801 14.802 -16.551 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.150 14.067 -18.677 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -1.299 13.909 -17.437 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -1.406 15.200 -18.535 1.00 3.43 H new ATOM 774 N ASP A 139 0.502 15.139 -11.483 1.00 0.75 N ATOM 775 CA ASP A 139 0.092 14.019 -10.587 1.00 0.78 C ATOM 776 C ASP A 139 -0.107 14.532 -9.159 1.00 0.70 C ATOM 777 O ASP A 139 -1.044 14.161 -8.480 1.00 0.81 O ATOM 778 CB ASP A 139 1.250 13.023 -10.641 1.00 0.97 C ATOM 779 CG ASP A 139 1.260 12.323 -12.001 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.359 13.016 -13.001 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.170 11.107 -12.020 1.00 1.66 O ATOM 0 H ASP A 139 1.490 15.154 -11.735 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.850 13.566 -10.897 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.196 13.540 -10.480 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.148 12.288 -9.843 1.00 0.97 H new ATOM 786 N GLY A 140 0.769 15.381 -8.697 1.00 0.64 N ATOM 787 CA GLY A 140 0.631 15.915 -7.312 1.00 0.62 C ATOM 788 C GLY A 140 -0.600 16.820 -7.231 1.00 0.57 C ATOM 789 O GLY A 140 -1.192 16.984 -6.184 1.00 0.65 O ATOM 0 H GLY A 140 1.574 15.728 -9.218 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.538 15.093 -6.602 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.525 16.474 -7.036 1.00 0.62 H new ATOM 793 N ASP A 141 -0.991 17.412 -8.328 1.00 0.56 N ATOM 794 CA ASP A 141 -2.183 18.307 -8.303 1.00 0.56 C ATOM 795 C ASP A 141 -2.841 18.364 -9.684 1.00 0.58 C ATOM 796 O ASP A 141 -2.780 19.366 -10.369 1.00 0.64 O ATOM 797 CB ASP A 141 -1.635 19.682 -7.918 1.00 0.60 C ATOM 798 CG ASP A 141 -2.764 20.541 -7.345 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.485 21.136 -8.129 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.889 20.589 -6.133 1.00 1.14 O ATOM 0 H ASP A 141 -0.538 17.315 -9.237 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.944 17.956 -7.606 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.837 19.574 -7.183 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.201 20.169 -8.791 1.00 0.60 H new ATOM 805 N LYS A 142 -3.476 17.302 -10.098 1.00 0.62 N ATOM 806 CA LYS A 142 -4.141 17.310 -11.432 1.00 0.70 C ATOM 807 C LYS A 142 -5.358 18.236 -11.395 1.00 0.79 C ATOM 808 O LYS A 142 -5.929 18.573 -12.413 1.00 0.92 O ATOM 809 CB LYS A 142 -4.573 15.862 -11.672 1.00 0.79 C ATOM 810 CG LYS A 142 -4.037 15.385 -13.023 1.00 0.88 C ATOM 811 CD LYS A 142 -5.182 14.783 -13.840 1.00 1.37 C ATOM 812 CE LYS A 142 -5.575 15.750 -14.959 1.00 1.79 C ATOM 813 NZ LYS A 142 -7.031 15.994 -14.763 1.00 2.44 N ATOM 0 H LYS A 142 -3.563 16.432 -9.573 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.484 17.670 -12.224 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.197 15.222 -10.874 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.660 15.788 -11.654 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.589 16.219 -13.564 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.253 14.643 -12.874 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.877 13.826 -14.263 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.039 14.588 -13.196 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.007 16.678 -14.896 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.375 15.320 -15.941 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -7.375 16.649 -15.494 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -7.547 15.094 -14.835 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -7.190 16.410 -13.823 1.00 2.44 H new ATOM 827 N ASN A 143 -5.756 18.652 -10.222 1.00 0.80 N ATOM 828 CA ASN A 143 -6.935 19.560 -10.108 1.00 0.95 C ATOM 829 C ASN A 143 -6.479 21.017 -10.226 1.00 0.92 C ATOM 830 O ASN A 143 -7.258 21.900 -10.525 1.00 1.08 O ATOM 831 CB ASN A 143 -7.525 19.299 -8.714 1.00 1.07 C ATOM 832 CG ASN A 143 -7.370 17.821 -8.338 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.951 16.957 -8.964 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.602 17.495 -7.333 1.00 1.70 N ATOM 0 H ASN A 143 -5.315 18.402 -9.337 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.668 19.379 -10.894 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.022 19.924 -7.976 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.579 19.576 -8.700 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.490 16.515 -7.074 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.114 18.221 -6.808 1.00 1.70 H new ATOM 841 N ASN A 144 -5.221 21.271 -9.989 1.00 0.86 N ATOM 842 CA ASN A 144 -4.707 22.668 -10.081 1.00 0.93 C ATOM 843 C ASN A 144 -5.519 23.590 -9.167 1.00 1.03 C ATOM 844 O ASN A 144 -5.860 24.697 -9.533 1.00 1.71 O ATOM 845 CB ASN A 144 -4.891 23.070 -11.544 1.00 1.08 C ATOM 846 CG ASN A 144 -4.414 24.511 -11.738 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.169 25.360 -12.166 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.184 24.824 -11.436 1.00 1.97 N ATOM 0 H ASN A 144 -4.525 20.570 -9.735 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.665 22.743 -9.768 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.327 22.398 -12.191 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.940 22.981 -11.828 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.857 25.782 -11.559 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -2.550 24.111 -11.076 1.00 1.97 H new ATOM 855 N ASP A 145 -5.829 23.143 -7.982 1.00 0.88 N ATOM 856 CA ASP A 145 -6.618 23.997 -7.047 1.00 0.92 C ATOM 857 C ASP A 145 -5.732 25.103 -6.466 1.00 0.91 C ATOM 858 O ASP A 145 -6.202 25.993 -5.786 1.00 1.07 O ATOM 859 CB ASP A 145 -7.088 23.049 -5.944 1.00 0.93 C ATOM 860 CG ASP A 145 -5.893 22.639 -5.081 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.823 22.451 -5.636 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.069 22.519 -3.879 1.00 1.89 O ATOM 0 H ASP A 145 -5.571 22.225 -7.620 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.455 24.489 -7.543 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.844 23.536 -5.329 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.554 22.166 -6.382 1.00 0.93 H new ATOM 867 N GLY A 146 -4.455 25.054 -6.728 1.00 0.84 N ATOM 868 CA GLY A 146 -3.543 26.104 -6.190 1.00 0.92 C ATOM 869 C GLY A 146 -2.622 25.492 -5.132 1.00 0.66 C ATOM 870 O GLY A 146 -1.576 26.028 -4.821 1.00 0.74 O ATOM 0 H GLY A 146 -4.003 24.333 -7.291 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.950 26.534 -6.998 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.125 26.916 -5.754 1.00 0.92 H new ATOM 874 N ARG A 147 -3.001 24.374 -4.576 1.00 0.56 N ATOM 875 CA ARG A 147 -2.144 23.732 -3.538 1.00 0.54 C ATOM 876 C ARG A 147 -2.227 22.207 -3.646 1.00 0.46 C ATOM 877 O ARG A 147 -3.220 21.658 -4.082 1.00 0.45 O ATOM 878 CB ARG A 147 -2.716 24.207 -2.202 1.00 0.77 C ATOM 879 CG ARG A 147 -4.192 23.817 -2.111 1.00 1.39 C ATOM 880 CD ARG A 147 -4.717 24.124 -0.707 1.00 1.79 C ATOM 881 NE ARG A 147 -5.760 25.169 -0.906 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.684 25.357 -0.001 1.00 2.87 C ATOM 883 NH1 ARG A 147 -6.699 24.632 1.085 1.00 3.10 N ATOM 884 NH2 ARG A 147 -7.594 26.275 -0.182 1.00 3.37 N ATOM 0 H ARG A 147 -3.865 23.878 -4.795 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.093 23.999 -3.650 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.160 23.761 -1.377 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.608 25.288 -2.112 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.770 24.365 -2.855 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.313 22.756 -2.332 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.135 23.233 -0.238 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.919 24.482 -0.057 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.753 25.740 -1.751 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.988 23.915 1.230 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -7.422 24.782 1.789 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -7.583 26.844 -1.028 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -8.316 26.423 0.523 1.00 3.37 H new ATOM 898 N ILE A 148 -1.189 21.522 -3.253 1.00 0.49 N ATOM 899 CA ILE A 148 -1.202 20.033 -3.332 1.00 0.44 C ATOM 900 C ILE A 148 -1.719 19.435 -2.022 1.00 0.46 C ATOM 901 O ILE A 148 -1.277 19.793 -0.948 1.00 0.63 O ATOM 902 CB ILE A 148 0.257 19.637 -3.557 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.764 20.276 -4.852 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.363 18.115 -3.664 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.132 19.691 -5.208 1.00 0.63 C ATOM 0 H ILE A 148 -0.331 21.929 -2.880 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.854 19.670 -4.126 1.00 0.44 H new ATOM 0 HB ILE A 148 0.861 19.984 -2.719 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.057 20.094 -5.661 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.839 21.357 -4.732 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.404 17.833 -3.824 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.002 17.659 -2.742 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.241 17.766 -4.502 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.493 20.146 -6.130 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.836 19.896 -4.402 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.042 18.613 -5.346 1.00 0.63 H new ATOM 917 N ASP A 149 -2.648 18.523 -2.101 1.00 0.48 N ATOM 918 CA ASP A 149 -3.186 17.900 -0.858 1.00 0.53 C ATOM 919 C ASP A 149 -2.548 16.523 -0.649 1.00 0.53 C ATOM 920 O ASP A 149 -2.068 15.905 -1.578 1.00 0.63 O ATOM 921 CB ASP A 149 -4.691 17.769 -1.095 1.00 0.58 C ATOM 922 CG ASP A 149 -5.338 17.067 0.100 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.373 17.664 1.164 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.786 15.945 -0.068 1.00 1.65 O ATOM 0 H ASP A 149 -3.058 18.182 -2.971 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.970 18.492 0.032 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.135 18.755 -1.235 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.878 17.203 -2.007 1.00 0.58 H new ATOM 929 N TYR A 150 -2.533 16.041 0.564 1.00 0.58 N ATOM 930 CA TYR A 150 -1.918 14.708 0.826 1.00 0.60 C ATOM 931 C TYR A 150 -2.549 13.640 -0.072 1.00 0.59 C ATOM 932 O TYR A 150 -1.860 12.884 -0.728 1.00 0.63 O ATOM 933 CB TYR A 150 -2.212 14.415 2.296 1.00 0.73 C ATOM 934 CG TYR A 150 -0.911 14.303 3.052 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.246 13.073 3.123 1.00 1.15 C ATOM 936 CD2 TYR A 150 -0.366 15.430 3.680 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.962 12.969 3.822 1.00 1.43 C ATOM 938 CE2 TYR A 150 0.842 15.326 4.379 1.00 1.56 C ATOM 939 CZ TYR A 150 1.506 14.095 4.449 1.00 1.48 C ATOM 940 OH TYR A 150 2.698 13.993 5.136 1.00 1.96 O ATOM 0 H TYR A 150 -2.919 16.511 1.383 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.849 14.703 0.615 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.826 15.209 2.721 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.780 13.489 2.388 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.665 12.204 2.638 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -0.878 16.379 3.625 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.474 12.020 3.877 1.00 1.43 H new ATOM 0 HE2 TYR A 150 1.262 16.195 4.864 1.00 1.56 H new ATOM 0 HH TYR A 150 2.516 13.864 6.090 1.00 1.96 H new ATOM 950 N ASP A 151 -3.852 13.570 -0.106 1.00 0.64 N ATOM 951 CA ASP A 151 -4.521 12.548 -0.963 1.00 0.70 C ATOM 952 C ASP A 151 -3.824 12.462 -2.322 1.00 0.63 C ATOM 953 O ASP A 151 -3.589 11.390 -2.845 1.00 0.77 O ATOM 954 CB ASP A 151 -5.957 13.046 -1.129 1.00 0.79 C ATOM 955 CG ASP A 151 -6.932 11.939 -0.723 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.034 10.968 -1.456 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.560 12.081 0.313 1.00 1.90 O ATOM 0 H ASP A 151 -4.482 14.175 0.421 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.484 11.552 -0.522 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.119 13.931 -0.514 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.134 13.339 -2.164 1.00 0.79 H new ATOM 962 N GLU A 152 -3.490 13.584 -2.897 1.00 0.54 N ATOM 963 CA GLU A 152 -2.807 13.570 -4.221 1.00 0.56 C ATOM 964 C GLU A 152 -1.379 13.038 -4.072 1.00 0.52 C ATOM 965 O GLU A 152 -0.902 12.277 -4.890 1.00 0.65 O ATOM 966 CB GLU A 152 -2.794 15.029 -4.675 1.00 0.60 C ATOM 967 CG GLU A 152 -4.134 15.370 -5.329 1.00 0.77 C ATOM 968 CD GLU A 152 -4.495 16.826 -5.026 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.663 17.685 -5.268 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.598 17.058 -4.558 1.00 1.17 O ATOM 0 H GLU A 152 -3.661 14.511 -2.507 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.311 12.925 -4.941 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.615 15.685 -3.823 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -1.980 15.194 -5.381 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.074 15.216 -6.406 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -4.913 14.706 -4.955 1.00 0.77 H new ATOM 977 N PHE A 153 -0.695 13.429 -3.032 1.00 0.46 N ATOM 978 CA PHE A 153 0.699 12.941 -2.834 1.00 0.46 C ATOM 979 C PHE A 153 0.734 11.413 -2.911 1.00 0.50 C ATOM 980 O PHE A 153 1.452 10.838 -3.705 1.00 0.64 O ATOM 981 CB PHE A 153 1.093 13.416 -1.435 1.00 0.49 C ATOM 982 CG PHE A 153 2.596 13.383 -1.299 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.391 14.187 -2.124 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.196 12.547 -0.348 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.785 14.157 -1.999 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.590 12.517 -0.223 1.00 0.61 C ATOM 987 CZ PHE A 153 5.385 13.322 -1.048 1.00 0.68 C ATOM 0 H PHE A 153 -1.040 14.064 -2.312 1.00 0.46 H new ATOM 0 HA PHE A 153 1.381 13.316 -3.596 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.724 14.427 -1.265 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.634 12.778 -0.680 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.929 14.831 -2.857 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.583 11.926 0.288 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.398 14.778 -2.636 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.052 11.873 0.510 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.460 13.299 -0.951 1.00 0.68 H new ATOM 997 N LEU A 154 -0.039 10.751 -2.093 1.00 0.53 N ATOM 998 CA LEU A 154 -0.051 9.261 -2.122 1.00 0.62 C ATOM 999 C LEU A 154 -0.114 8.766 -3.569 1.00 0.65 C ATOM 1000 O LEU A 154 0.849 8.247 -4.097 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.311 8.861 -1.355 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.994 8.785 0.141 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.219 10.034 0.566 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -2.299 8.704 0.935 1.00 1.20 C ATOM 0 H LEU A 154 -0.662 11.177 -1.407 1.00 0.53 H new ATOM 0 HA LEU A 154 0.845 8.828 -1.679 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.104 9.587 -1.533 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.675 7.897 -1.710 1.00 0.75 H new ATOM 0 HG LEU A 154 -0.391 7.899 0.337 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.006 9.978 1.631 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.712 10.094 0.002 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.821 10.921 0.368 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -2.074 8.650 2.000 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -2.902 9.590 0.736 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.853 7.814 0.635 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.235 8.928 -4.218 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.342 8.470 -5.632 1.00 0.81 C ATOM 1018 C GLU A 155 -0.133 8.968 -6.427 1.00 0.76 C ATOM 1019 O GLU A 155 0.376 8.288 -7.295 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.631 9.101 -6.161 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.680 8.009 -6.380 1.00 1.41 C ATOM 1022 CD GLU A 155 -5.048 8.654 -6.612 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -5.082 9.842 -6.887 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -6.038 7.949 -6.511 1.00 2.57 O ATOM 0 H GLU A 155 -2.077 9.355 -3.833 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.362 7.384 -5.719 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.003 9.841 -5.453 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.435 9.625 -7.097 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.406 7.394 -7.237 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.720 7.349 -5.513 1.00 1.41 H new ATOM 1031 N PHE A 156 0.334 10.149 -6.127 1.00 0.66 N ATOM 1032 CA PHE A 156 1.517 10.693 -6.854 1.00 0.77 C ATOM 1033 C PHE A 156 2.767 9.899 -6.467 1.00 0.71 C ATOM 1034 O PHE A 156 3.688 9.751 -7.245 1.00 0.88 O ATOM 1035 CB PHE A 156 1.630 12.147 -6.389 1.00 0.84 C ATOM 1036 CG PHE A 156 3.000 12.685 -6.727 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.402 12.788 -8.064 1.00 1.09 C ATOM 1038 CD2 PHE A 156 3.868 13.083 -5.702 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.672 13.289 -8.377 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.137 13.584 -6.015 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.539 13.687 -7.352 1.00 1.53 C ATOM 0 H PHE A 156 -0.053 10.762 -5.409 1.00 0.66 H new ATOM 0 HA PHE A 156 1.416 10.624 -7.937 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.862 12.753 -6.870 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.459 12.209 -5.314 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.733 12.481 -8.854 1.00 1.09 H new ATOM 0 HD2 PHE A 156 3.558 13.003 -4.670 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.982 13.368 -9.408 1.00 1.31 H new ATOM 0 HE2 PHE A 156 5.806 13.891 -5.225 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.518 14.074 -7.593 1.00 1.53 H new ATOM 1051 N MET A 157 2.798 9.381 -5.270 1.00 0.61 N ATOM 1052 CA MET A 157 3.980 8.588 -4.829 1.00 0.69 C ATOM 1053 C MET A 157 3.695 7.096 -5.002 1.00 0.83 C ATOM 1054 O MET A 157 4.578 6.267 -4.910 1.00 1.17 O ATOM 1055 CB MET A 157 4.160 8.935 -3.351 1.00 0.84 C ATOM 1056 CG MET A 157 4.513 10.417 -3.216 1.00 0.92 C ATOM 1057 SD MET A 157 6.025 10.764 -4.148 1.00 1.56 S ATOM 1058 CE MET A 157 7.167 9.868 -3.068 1.00 0.90 C ATOM 0 H MET A 157 2.055 9.473 -4.577 1.00 0.61 H new ATOM 0 HA MET A 157 4.875 8.813 -5.408 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.245 8.716 -2.801 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.948 8.321 -2.915 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.694 11.032 -3.589 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.653 10.674 -2.166 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.965 10.537 -2.747 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.629 9.500 -2.194 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.596 9.026 -3.611 1.00 0.90 H new ATOM 1068 N LYS A 158 2.463 6.750 -5.256 1.00 0.86 N ATOM 1069 CA LYS A 158 2.111 5.313 -5.440 1.00 1.07 C ATOM 1070 C LYS A 158 2.682 4.796 -6.763 1.00 1.36 C ATOM 1071 O LYS A 158 2.971 3.626 -6.911 1.00 1.73 O ATOM 1072 CB LYS A 158 0.583 5.286 -5.469 1.00 1.28 C ATOM 1073 CG LYS A 158 0.071 4.234 -4.484 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.758 3.192 -5.237 1.00 2.24 C ATOM 1075 CE LYS A 158 -2.127 3.780 -5.583 1.00 2.85 C ATOM 1076 NZ LYS A 158 -3.040 3.280 -4.519 1.00 3.52 N ATOM 0 H LYS A 158 1.683 7.401 -5.344 1.00 0.86 H new ATOM 0 HA LYS A 158 2.517 4.681 -4.650 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.187 6.267 -5.208 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.232 5.058 -6.475 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.910 3.753 -3.981 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.535 4.708 -3.712 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.240 2.889 -6.147 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.879 2.297 -4.626 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -2.097 4.869 -5.597 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.457 3.457 -6.570 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -4.000 3.641 -4.688 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -3.054 2.240 -4.534 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -2.704 3.609 -3.591 1.00 3.52 H new ATOM 1090 N GLY A 159 2.845 5.662 -7.727 1.00 1.73 N ATOM 1091 CA GLY A 159 3.397 5.221 -9.039 1.00 2.35 C ATOM 1092 C GLY A 159 4.914 5.068 -8.929 1.00 2.13 C ATOM 1093 O GLY A 159 5.562 4.552 -9.818 1.00 2.59 O ATOM 0 H GLY A 159 2.620 6.655 -7.662 1.00 1.73 H new ATOM 0 HA2 GLY A 159 2.946 4.274 -9.335 1.00 2.35 H new ATOM 0 HA3 GLY A 159 3.149 5.948 -9.813 1.00 2.35 H new ATOM 1097 N VAL A 160 5.488 5.512 -7.845 1.00 1.87 N ATOM 1098 CA VAL A 160 6.964 5.390 -7.681 1.00 1.87 C ATOM 1099 C VAL A 160 7.300 4.898 -6.271 1.00 2.39 C ATOM 1100 O VAL A 160 6.564 5.123 -5.331 1.00 3.11 O ATOM 1101 CB VAL A 160 7.506 6.803 -7.902 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.834 7.769 -6.925 1.00 1.89 C ATOM 1103 CG2 VAL A 160 9.017 6.810 -7.665 1.00 1.76 C ATOM 0 H VAL A 160 4.999 5.954 -7.066 1.00 1.87 H new ATOM 0 HA VAL A 160 7.400 4.674 -8.378 1.00 1.87 H new ATOM 0 HB VAL A 160 7.294 7.116 -8.924 1.00 1.68 H new ATOM 0 HG11 VAL A 160 7.221 8.775 -7.084 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.757 7.764 -7.092 1.00 1.89 H new ATOM 0 HG13 VAL A 160 7.044 7.457 -5.902 1.00 1.89 H new ATOM 0 HG21 VAL A 160 9.405 7.816 -7.822 1.00 1.76 H new ATOM 0 HG22 VAL A 160 9.226 6.496 -6.642 1.00 1.76 H new ATOM 0 HG23 VAL A 160 9.498 6.123 -8.361 1.00 1.76 H new ATOM 1113 N GLU A 161 8.407 4.226 -6.118 1.00 2.52 N ATOM 1114 CA GLU A 161 8.791 3.718 -4.770 1.00 3.28 C ATOM 1115 C GLU A 161 9.319 4.864 -3.904 1.00 3.90 C ATOM 1116 O GLU A 161 10.163 4.605 -3.062 1.00 4.34 O ATOM 1117 CB GLU A 161 9.894 2.694 -5.037 1.00 3.49 C ATOM 1118 CG GLU A 161 9.271 1.399 -5.564 1.00 4.11 C ATOM 1119 CD GLU A 161 10.279 0.674 -6.458 1.00 4.29 C ATOM 1120 OE1 GLU A 161 10.987 1.349 -7.187 1.00 4.56 O ATOM 1121 OE2 GLU A 161 10.325 -0.544 -6.399 1.00 4.60 O ATOM 1122 OXT GLU A 161 8.869 5.982 -4.096 1.00 4.37 O ATOM 0 H GLU A 161 9.063 4.006 -6.868 1.00 2.52 H new ATOM 0 HA GLU A 161 7.948 3.281 -4.235 1.00 3.28 H new ATOM 0 HB2 GLU A 161 10.605 3.090 -5.763 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.451 2.496 -4.121 1.00 3.49 H new ATOM 0 HG2 GLU A 161 8.980 0.758 -4.732 1.00 4.11 H new ATOM 0 HG3 GLU A 161 8.364 1.622 -6.127 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 4.484 24.640 0.633 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.994 19.765 -4.900 1.00 0.75 CA HETATM 1132 O1 KDH A 1 10.410 9.042 -11.187 1.00 2.83 O HETATM 1133 C3 KDH A 1 9.466 9.646 -10.413 1.00 2.40 C HETATM 1134 C6 KDH A 1 8.252 10.113 -11.029 1.00 3.09 C HETATM 1135 O7 KDH A 1 8.059 9.929 -12.371 1.00 4.04 O HETATM 1136 C9 KDH A 1 7.229 10.775 -10.247 1.00 2.99 C HETATM 1137 O10 KDH A 1 6.101 11.221 -10.870 1.00 3.91 O HETATM 1138 C12 KDH A 1 7.420 10.954 -8.826 1.00 2.07 C HETATM 1139 C14 KDH A 1 8.625 10.457 -8.197 1.00 1.26 C HETATM 1140 C15 KDH A 1 8.739 10.611 -6.807 1.00 0.94 C HETATM 1141 C20 KDH A 1 9.924 9.599 -4.830 1.00 2.17 C HETATM 1142 C21 KDH A 1 10.361 8.424 -4.117 1.00 3.11 C HETATM 1143 C24 KDH A 1 11.030 8.569 -2.854 1.00 3.89 C HETATM 1144 C26 KDH A 1 11.187 9.862 -2.245 1.00 3.84 C HETATM 1145 C29 KDH A 1 10.706 11.042 -2.934 1.00 3.01 C HETATM 1146 C31 KDH A 1 10.014 10.915 -4.195 1.00 2.10 C HETATM 1147 C33 KDH A 1 9.345 11.983 -6.389 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.690 12.830 -8.182 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.855 12.627 -8.920 1.00 1.49 C HETATM 1150 C39 KDH A 1 12.265 13.629 -9.887 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.641 11.433 -8.723 1.00 2.05 C HETATM 1152 C01 KDH A 1 9.407 12.049 -4.831 1.00 1.46 C HETATM 1153 O01 KDH A 1 9.430 9.477 -6.127 1.00 1.58 O HETATM 1154 O02 KDH A 1 11.525 7.466 -2.220 1.00 4.80 O HETATM 1155 O03 KDH A 1 10.911 12.273 -2.388 1.00 3.24 O HETATM 1156 C4 KDH A 1 9.664 9.822 -8.994 1.00 1.50 C HETATM 1157 O35 KDH A 1 10.658 12.197 -6.966 1.00 1.29 O HETATM 1158 O37 KDH A 1 9.778 13.536 -8.628 1.00 2.52 O HETATM 1159 C43 KDH A 1 13.802 11.198 -9.543 1.00 2.26 C HETATM 1160 O44 KDH A 1 14.546 10.054 -9.418 1.00 3.22 O HETATM 1161 C46 KDH A 1 14.200 12.180 -10.523 1.00 2.00 C HETATM 1162 O47 KDH A 1 15.311 11.970 -11.285 1.00 2.49 O HETATM 1163 C49 KDH A 1 13.428 13.396 -10.705 1.00 2.11 C HETATM 1164 O50 KDH A 1 13.828 14.294 -11.655 1.00 3.03 O HETATM 0 HO50 KDH A 1 14.647 13.971 -12.086 1.00 3.03 H new HETATM 0 HO47 KDH A 1 15.955 12.693 -11.131 1.00 2.49 H new HETATM 0 HO44 KDH A 1 15.073 9.916 -10.233 1.00 3.22 H new HETATM 0 HO10 KDH A 1 5.537 11.696 -10.225 1.00 3.91 H new HETATM 0 HO03 KDH A 1 10.682 12.251 -1.435 1.00 3.24 H new HETATM 0 HO02 KDH A 1 11.077 6.664 -2.561 1.00 4.80 H new HETATM 0 H01A KDH A 1 8.393 12.161 -4.447 1.00 1.46 H new HETATM 0 HO7 KDH A 1 7.387 10.564 -12.695 1.00 4.04 H new HETATM 0 HO1 KDH A 1 10.084 8.977 -12.109 1.00 2.83 H new HETATM 0 H41 KDH A 1 12.357 10.712 -7.957 1.00 2.05 H new HETATM 0 H4 KDH A 1 10.586 9.481 -8.522 1.00 1.50 H new HETATM 0 H39 KDH A 1 11.696 14.553 -9.994 1.00 1.87 H new HETATM 0 H33 KDH A 1 8.705 12.779 -6.771 1.00 0.94 H new HETATM 0 H26 KDH A 1 11.665 9.954 -1.270 1.00 3.84 H new HETATM 0 H21 KDH A 1 10.185 7.432 -4.534 1.00 3.11 H new HETATM 0 H15 KDH A 1 7.709 10.596 -6.451 1.00 0.94 H new HETATM 0 H12 KDH A 1 6.660 11.461 -8.231 1.00 2.07 H new HETATM 0 H01 KDH A 1 9.957 12.945 -4.543 1.00 1.46 H new