USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 423 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 Single : A 90 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.62) USER MOD Single : A 91 GLN : amide:sc= -0.076 K(o=-0.076,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ -124:sc= 0.0186 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00183) USER MOD Single : A 98 CYS SG : rot 90:sc= -1.31 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -158:sc= -0.261 (180deg=-0.784) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 130:sc= -0.351 USER MOD Single : A 127 TYR OH : rot 30:sc= -1.34 USER MOD Single : A 128 THR OG1 : rot -61:sc= -0.49 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= -0.371 K(o=-0.37,f=-3.2!) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.56 F(o=-3.1!,f=-1.6) USER MOD Single : A 139 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0568 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 90 -3.033 10.219 -8.451 1.00 7.42 N ATOM 2 CA GLN A 90 -2.096 10.680 -7.435 1.00 8.00 C ATOM 3 C GLN A 90 -2.784 10.786 -6.077 1.00 8.02 C ATOM 4 O GLN A 90 -3.985 10.539 -5.962 1.00 8.02 O ATOM 5 CB GLN A 90 -1.502 12.034 -7.829 1.00 8.61 C ATOM 6 CG GLN A 90 -2.544 13.053 -8.265 1.00 9.27 C ATOM 7 CD GLN A 90 -2.745 14.155 -7.243 1.00 9.99 C ATOM 8 OE1 GLN A 90 -1.787 14.639 -6.638 1.00 10.31 O ATOM 9 NE2 GLN A 90 -3.993 14.559 -7.045 1.00 10.47 N ATOM 0 HA GLN A 90 -1.289 9.951 -7.361 1.00 8.00 H new ATOM 0 HB2 GLN A 90 -0.944 12.436 -6.983 1.00 8.61 H new ATOM 0 HB3 GLN A 90 -0.789 11.886 -8.640 1.00 8.61 H new ATOM 0 HG2 GLN A 90 -2.241 13.494 -9.214 1.00 9.27 H new ATOM 0 HG3 GLN A 90 -3.493 12.546 -8.438 1.00 9.27 H new ATOM 0 HE21 GLN A 90 -4.757 14.131 -7.568 1.00 10.47 H new ATOM 0 HE22 GLN A 90 -4.189 15.298 -6.370 1.00 10.47 H new ATOM 18 N GLN A 91 -2.017 11.155 -5.055 1.00 8.30 N ATOM 19 CA GLN A 91 -2.548 11.295 -3.702 1.00 8.58 C ATOM 20 C GLN A 91 -3.142 9.977 -3.209 1.00 7.86 C ATOM 21 O GLN A 91 -4.286 9.645 -3.520 1.00 7.55 O ATOM 22 CB GLN A 91 -3.610 12.395 -3.655 1.00 9.49 C ATOM 23 CG GLN A 91 -4.117 12.693 -2.253 1.00 9.88 C ATOM 24 CD GLN A 91 -4.472 14.154 -2.058 1.00 10.82 C ATOM 25 OE1 GLN A 91 -4.646 14.898 -3.024 1.00 11.18 O ATOM 26 NE2 GLN A 91 -4.581 14.573 -0.805 1.00 11.40 N ATOM 0 H GLN A 91 -1.022 11.363 -5.139 1.00 8.30 H new ATOM 0 HA GLN A 91 -1.723 11.570 -3.045 1.00 8.58 H new ATOM 0 HB2 GLN A 91 -3.195 13.307 -4.084 1.00 9.49 H new ATOM 0 HB3 GLN A 91 -4.452 12.102 -4.282 1.00 9.49 H new ATOM 0 HG2 GLN A 91 -4.995 12.080 -2.051 1.00 9.88 H new ATOM 0 HG3 GLN A 91 -3.355 12.408 -1.527 1.00 9.88 H new ATOM 0 HE21 GLN A 91 -4.428 13.922 -0.035 1.00 11.40 H new ATOM 0 HE22 GLN A 91 -4.818 15.546 -0.611 1.00 11.40 H new ATOM 35 N TRP A 92 -2.355 9.233 -2.440 1.00 7.74 N ATOM 36 CA TRP A 92 -2.800 7.952 -1.905 1.00 7.12 C ATOM 37 C TRP A 92 -3.804 8.149 -0.773 1.00 7.81 C ATOM 38 O TRP A 92 -3.623 9.011 0.088 1.00 8.60 O ATOM 39 CB TRP A 92 -1.601 7.144 -1.407 1.00 6.73 C ATOM 40 CG TRP A 92 -0.692 6.688 -2.509 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.634 6.981 -2.651 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.044 5.863 -3.626 1.00 5.26 C ATOM 43 NE1 TRP A 92 1.129 6.388 -3.786 1.00 5.95 N ATOM 44 CE2 TRP A 92 0.119 5.695 -4.401 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.227 5.248 -4.045 1.00 4.81 C ATOM 46 CZ2 TRP A 92 0.131 4.940 -5.572 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.213 4.496 -5.205 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.041 4.349 -5.957 1.00 4.18 C ATOM 0 H TRP A 92 -1.406 9.495 -2.173 1.00 7.74 H new ATOM 0 HA TRP A 92 -3.294 7.403 -2.707 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.031 7.750 -0.703 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.961 6.273 -0.859 1.00 6.73 H new ATOM 0 HD1 TRP A 92 1.209 7.590 -1.970 1.00 6.47 H new ATOM 0 HE1 TRP A 92 2.091 6.453 -4.118 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.136 5.358 -3.473 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 1.033 4.826 -6.155 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.121 4.014 -5.537 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.063 3.757 -6.860 1.00 4.18 H new ATOM 59 N LYS A 93 -4.861 7.340 -0.779 1.00 7.67 N ATOM 60 CA LYS A 93 -5.894 7.419 0.249 1.00 8.46 C ATOM 61 C LYS A 93 -6.417 6.029 0.598 1.00 8.08 C ATOM 62 O LYS A 93 -6.092 5.047 -0.071 1.00 7.25 O ATOM 63 CB LYS A 93 -7.049 8.309 -0.220 1.00 9.25 C ATOM 64 CG LYS A 93 -7.845 7.721 -1.374 1.00 10.03 C ATOM 65 CD LYS A 93 -9.197 8.402 -1.523 1.00 10.80 C ATOM 66 CE LYS A 93 -10.323 7.389 -1.642 1.00 11.72 C ATOM 67 NZ LYS A 93 -10.202 6.564 -2.876 1.00 12.39 N ATOM 0 H LYS A 93 -5.024 6.622 -1.485 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.449 7.858 1.142 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -7.721 8.489 0.619 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -6.650 9.277 -0.522 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -7.279 7.827 -2.299 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -7.990 6.653 -1.210 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -9.377 9.047 -0.663 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -9.188 9.042 -2.405 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -10.319 6.737 -0.768 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -11.281 7.910 -1.646 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -11.076 6.644 -3.434 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -9.398 6.902 -3.442 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -10.048 5.569 -2.615 1.00 12.39 H new ATOM 81 N VAL A 94 -7.228 5.954 1.648 1.00 8.81 N ATOM 82 CA VAL A 94 -7.796 4.682 2.083 1.00 8.73 C ATOM 83 C VAL A 94 -8.752 4.123 1.035 1.00 8.69 C ATOM 84 O VAL A 94 -9.593 4.845 0.500 1.00 9.36 O ATOM 85 CB VAL A 94 -8.545 4.824 3.422 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.705 3.466 4.088 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.824 5.795 4.344 1.00 10.15 C ATOM 0 H VAL A 94 -7.507 6.757 2.213 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.962 3.994 2.217 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.537 5.226 3.219 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.236 3.584 5.033 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.272 2.804 3.433 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.722 3.035 4.276 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -8.371 5.879 5.283 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.817 5.429 4.542 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.767 6.774 3.868 1.00 10.15 H new ATOM 97 N GLY A 95 -8.613 2.834 0.746 1.00 8.04 N ATOM 98 CA GLY A 95 -9.466 2.198 -0.242 1.00 8.20 C ATOM 99 C GLY A 95 -9.036 2.510 -1.661 1.00 7.64 C ATOM 100 O GLY A 95 -9.695 3.277 -2.363 1.00 8.10 O ATOM 0 H GLY A 95 -7.925 2.217 1.178 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.452 1.119 -0.090 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.495 2.527 -0.096 1.00 8.20 H new ATOM 104 N ASP A 96 -7.923 1.916 -2.083 1.00 6.70 N ATOM 105 CA ASP A 96 -7.401 2.136 -3.427 1.00 6.20 C ATOM 106 C ASP A 96 -6.693 0.889 -3.947 1.00 5.53 C ATOM 107 O ASP A 96 -5.972 0.219 -3.208 1.00 4.92 O ATOM 108 CB ASP A 96 -6.436 3.324 -3.432 1.00 5.87 C ATOM 109 CG ASP A 96 -6.957 4.492 -4.246 1.00 6.35 C ATOM 110 OD1 ASP A 96 -8.189 4.588 -4.428 1.00 6.81 O ATOM 111 OD2 ASP A 96 -6.133 5.314 -4.699 1.00 6.44 O ATOM 0 H ASP A 96 -7.366 1.279 -1.513 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.241 2.355 -4.086 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.260 3.650 -2.407 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.474 3.005 -3.834 1.00 5.87 H new ATOM 116 N LYS A 97 -6.905 0.588 -5.225 1.00 5.83 N ATOM 117 CA LYS A 97 -6.288 -0.578 -5.850 1.00 5.62 C ATOM 118 C LYS A 97 -4.881 -0.251 -6.336 1.00 4.80 C ATOM 119 O LYS A 97 -4.702 0.355 -7.393 1.00 4.86 O ATOM 120 CB LYS A 97 -7.144 -1.064 -7.022 1.00 6.55 C ATOM 121 CG LYS A 97 -8.108 -2.178 -6.652 1.00 7.39 C ATOM 122 CD LYS A 97 -7.831 -3.443 -7.448 1.00 7.70 C ATOM 123 CE LYS A 97 -7.876 -4.680 -6.564 1.00 8.21 C ATOM 124 NZ LYS A 97 -8.713 -5.758 -7.158 1.00 9.10 N ATOM 0 H LYS A 97 -7.499 1.135 -5.848 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.221 -1.369 -5.103 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.711 -0.222 -7.420 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.488 -1.413 -7.820 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -8.026 -2.392 -5.586 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.131 -1.850 -6.833 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -8.566 -3.539 -8.247 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.852 -3.369 -7.922 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -6.863 -5.051 -6.408 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -8.272 -4.412 -5.584 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -8.459 -6.671 -6.729 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -9.717 -5.557 -6.977 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -8.548 -5.800 -8.184 1.00 9.10 H new ATOM 138 N CYS A 98 -3.883 -0.657 -5.557 1.00 4.16 N ATOM 139 CA CYS A 98 -2.488 -0.409 -5.906 1.00 3.60 C ATOM 140 C CYS A 98 -1.732 -1.720 -6.097 1.00 3.78 C ATOM 141 O CYS A 98 -2.330 -2.795 -6.096 1.00 4.46 O ATOM 142 CB CYS A 98 -1.812 0.430 -4.819 1.00 2.97 C ATOM 143 SG CYS A 98 -1.467 -0.477 -3.295 1.00 2.58 S ATOM 0 H CYS A 98 -4.014 -1.160 -4.679 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.467 0.141 -6.847 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -0.877 0.828 -5.212 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.449 1.283 -4.585 1.00 2.97 H new ATOM 0 HG CYS A 98 -0.286 -1.015 -3.368 1.00 2.58 H new ATOM 149 N SER A 99 -0.416 -1.622 -6.258 1.00 3.54 N ATOM 150 CA SER A 99 0.422 -2.801 -6.449 1.00 4.08 C ATOM 151 C SER A 99 1.624 -2.767 -5.512 1.00 3.73 C ATOM 152 O SER A 99 2.343 -1.768 -5.445 1.00 3.54 O ATOM 153 CB SER A 99 0.897 -2.887 -7.900 1.00 5.02 C ATOM 154 OG SER A 99 0.450 -4.084 -8.513 1.00 5.76 O ATOM 0 H SER A 99 0.093 -0.738 -6.260 1.00 3.54 H new ATOM 0 HA SER A 99 -0.176 -3.683 -6.217 1.00 4.08 H new ATOM 0 HB2 SER A 99 0.526 -2.028 -8.459 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.986 -2.842 -7.933 1.00 5.02 H new ATOM 0 HG SER A 99 0.765 -4.114 -9.440 1.00 5.76 H new ATOM 160 N ALA A 100 1.837 -3.860 -4.785 1.00 3.97 N ATOM 161 CA ALA A 100 2.952 -3.948 -3.849 1.00 3.95 C ATOM 162 C ALA A 100 3.775 -5.211 -4.079 1.00 4.93 C ATOM 163 O ALA A 100 3.234 -6.270 -4.402 1.00 5.47 O ATOM 164 CB ALA A 100 2.438 -3.904 -2.417 1.00 3.19 C ATOM 0 H ALA A 100 1.253 -4.695 -4.826 1.00 3.97 H new ATOM 0 HA ALA A 100 3.604 -3.092 -4.021 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.279 -3.970 -1.726 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.905 -2.968 -2.250 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.762 -4.742 -2.247 1.00 3.19 H new ATOM 170 N ILE A 101 5.089 -5.087 -3.910 1.00 5.36 N ATOM 171 CA ILE A 101 5.998 -6.211 -4.096 1.00 6.34 C ATOM 172 C ILE A 101 6.092 -7.052 -2.826 1.00 6.26 C ATOM 173 O ILE A 101 6.047 -6.523 -1.715 1.00 5.81 O ATOM 174 CB ILE A 101 7.410 -5.734 -4.489 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.324 -4.530 -5.428 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.189 -6.866 -5.140 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.021 -3.297 -4.895 1.00 7.47 C ATOM 0 H ILE A 101 5.548 -4.216 -3.644 1.00 5.36 H new ATOM 0 HA ILE A 101 5.592 -6.819 -4.905 1.00 6.34 H new ATOM 0 HB ILE A 101 7.938 -5.428 -3.586 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.761 -4.798 -6.390 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.275 -4.295 -5.609 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.184 -6.514 -5.412 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.277 -7.697 -4.440 1.00 8.16 H new ATOM 0 HG23 ILE A 101 7.665 -7.200 -6.036 1.00 8.16 H new ATOM 0 HD11 ILE A 101 7.919 -2.483 -5.613 1.00 7.47 H new ATOM 0 HD12 ILE A 101 7.569 -3.004 -3.948 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.078 -3.515 -4.740 1.00 7.47 H new ATOM 189 N TRP A 102 6.220 -8.365 -2.999 1.00 6.86 N ATOM 190 CA TRP A 102 6.318 -9.279 -1.867 1.00 6.96 C ATOM 191 C TRP A 102 7.771 -9.466 -1.438 1.00 7.60 C ATOM 192 O TRP A 102 8.677 -9.481 -2.271 1.00 8.38 O ATOM 193 CB TRP A 102 5.698 -10.634 -2.222 1.00 7.61 C ATOM 194 CG TRP A 102 5.113 -11.362 -1.047 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.014 -10.910 0.240 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.547 -12.678 -1.052 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.422 -11.864 1.031 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.126 -12.958 0.261 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.356 -13.647 -2.042 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.526 -14.166 0.610 1.00 8.82 C ATOM 201 CZ3 TRP A 102 3.759 -14.846 -1.695 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.351 -15.094 -0.378 1.00 9.73 C ATOM 0 H TRP A 102 6.258 -8.819 -3.912 1.00 6.86 H new ATOM 0 HA TRP A 102 5.768 -8.843 -1.033 1.00 6.96 H new ATOM 0 HB2 TRP A 102 4.918 -10.481 -2.967 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.461 -11.262 -2.683 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.352 -9.944 0.584 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.233 -11.773 2.029 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.669 -13.463 -3.059 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.211 -14.362 1.624 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 3.605 -15.602 -2.451 1.00 9.95 H new ATOM 0 HH2 TRP A 102 2.888 -16.040 -0.138 1.00 9.73 H new ATOM 213 N SER A 103 7.981 -9.605 -0.132 1.00 7.36 N ATOM 214 CA SER A 103 9.322 -9.790 0.412 1.00 8.04 C ATOM 215 C SER A 103 9.637 -11.271 0.588 1.00 8.76 C ATOM 216 O SER A 103 10.525 -11.640 1.359 1.00 9.24 O ATOM 217 CB SER A 103 9.453 -9.065 1.754 1.00 7.63 C ATOM 218 OG SER A 103 9.928 -7.742 1.576 1.00 7.51 O ATOM 0 H SER A 103 7.240 -9.593 0.569 1.00 7.36 H new ATOM 0 HA SER A 103 10.037 -9.367 -0.294 1.00 8.04 H new ATOM 0 HB2 SER A 103 8.485 -9.043 2.255 1.00 7.63 H new ATOM 0 HB3 SER A 103 10.135 -9.615 2.403 1.00 7.63 H new ATOM 0 HG SER A 103 10.001 -7.301 2.448 1.00 7.51 H new ATOM 224 N GLU A 104 8.905 -12.118 -0.130 1.00 8.96 N ATOM 225 CA GLU A 104 9.105 -13.560 -0.052 1.00 9.78 C ATOM 226 C GLU A 104 9.743 -14.093 -1.330 1.00 10.72 C ATOM 227 O GLU A 104 10.603 -14.976 -1.285 1.00 11.50 O ATOM 228 CB GLU A 104 7.772 -14.266 0.198 1.00 9.65 C ATOM 229 CG GLU A 104 7.239 -14.079 1.609 1.00 9.77 C ATOM 230 CD GLU A 104 6.839 -15.388 2.262 1.00 10.55 C ATOM 231 OE1 GLU A 104 7.355 -16.444 1.840 1.00 10.87 O ATOM 232 OE2 GLU A 104 6.012 -15.355 3.197 1.00 10.99 O ATOM 0 H GLU A 104 8.167 -11.829 -0.773 1.00 8.96 H new ATOM 0 HA GLU A 104 9.780 -13.763 0.780 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.034 -13.893 -0.512 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.893 -15.332 0.002 1.00 9.65 H new ATOM 0 HG2 GLU A 104 8.000 -13.591 2.219 1.00 9.77 H new ATOM 0 HG3 GLU A 104 6.377 -13.413 1.582 1.00 9.77 H new ATOM 239 N ASP A 105 9.318 -13.554 -2.468 1.00 10.68 N ATOM 240 CA ASP A 105 9.849 -13.977 -3.760 1.00 11.61 C ATOM 241 C ASP A 105 10.282 -12.773 -4.590 1.00 11.51 C ATOM 242 O ASP A 105 10.943 -12.922 -5.618 1.00 12.31 O ATOM 243 CB ASP A 105 8.802 -14.786 -4.526 1.00 12.02 C ATOM 244 CG ASP A 105 8.637 -16.190 -3.974 1.00 12.58 C ATOM 245 OD1 ASP A 105 9.664 -16.821 -3.643 1.00 12.80 O ATOM 246 OD2 ASP A 105 7.484 -16.658 -3.873 1.00 12.93 O ATOM 0 H ASP A 105 8.608 -12.824 -2.522 1.00 10.68 H new ATOM 0 HA ASP A 105 10.721 -14.605 -3.577 1.00 11.61 H new ATOM 0 HB2 ASP A 105 7.844 -14.267 -4.484 1.00 12.02 H new ATOM 0 HB3 ASP A 105 9.088 -14.843 -5.576 1.00 12.02 H new ATOM 251 N GLY A 106 9.906 -11.582 -4.135 1.00 10.59 N ATOM 252 CA GLY A 106 10.264 -10.370 -4.848 1.00 10.51 C ATOM 253 C GLY A 106 9.547 -10.249 -6.179 1.00 10.58 C ATOM 254 O GLY A 106 10.182 -10.231 -7.234 1.00 11.27 O ATOM 0 H GLY A 106 9.360 -11.435 -3.286 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.026 -9.504 -4.230 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.341 -10.355 -5.016 1.00 10.51 H new ATOM 258 N CYS A 107 8.222 -10.167 -6.129 1.00 9.96 N ATOM 259 CA CYS A 107 7.416 -10.048 -7.340 1.00 10.08 C ATOM 260 C CYS A 107 6.260 -9.076 -7.129 1.00 9.03 C ATOM 261 O CYS A 107 5.892 -8.770 -5.994 1.00 8.22 O ATOM 262 CB CYS A 107 6.877 -11.418 -7.754 1.00 10.82 C ATOM 263 SG CYS A 107 7.959 -12.327 -8.883 1.00 12.07 S ATOM 0 H CYS A 107 7.683 -10.181 -5.263 1.00 9.96 H new ATOM 0 HA CYS A 107 8.053 -9.660 -8.135 1.00 10.08 H new ATOM 0 HB2 CYS A 107 6.717 -12.019 -6.859 1.00 10.82 H new ATOM 0 HB3 CYS A 107 5.904 -11.286 -8.228 1.00 10.82 H new ATOM 0 HG CYS A 107 7.419 -13.473 -9.173 1.00 12.07 H new ATOM 269 N ILE A 108 5.688 -8.593 -8.229 1.00 9.09 N ATOM 270 CA ILE A 108 4.573 -7.654 -8.163 1.00 8.18 C ATOM 271 C ILE A 108 3.243 -8.388 -8.023 1.00 8.20 C ATOM 272 O ILE A 108 2.939 -9.292 -8.801 1.00 9.05 O ATOM 273 CB ILE A 108 4.519 -6.755 -9.413 1.00 8.31 C ATOM 274 CG1 ILE A 108 5.900 -6.168 -9.708 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.494 -5.647 -9.228 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.578 -6.791 -10.908 1.00 9.51 C ATOM 0 H ILE A 108 5.978 -8.837 -9.176 1.00 9.09 H new ATOM 0 HA ILE A 108 4.737 -7.032 -7.283 1.00 8.18 H new ATOM 0 HB ILE A 108 4.215 -7.364 -10.265 1.00 8.31 H new ATOM 0 HG12 ILE A 108 5.802 -5.095 -9.873 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.536 -6.299 -8.833 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.469 -5.022 -10.120 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.510 -6.086 -9.065 1.00 7.33 H new ATOM 0 HG23 ILE A 108 3.768 -5.038 -8.366 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.552 -6.326 -11.057 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.708 -7.860 -10.738 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.963 -6.637 -11.794 1.00 9.51 H new ATOM 288 N TYR A 109 2.455 -7.991 -7.031 1.00 7.40 N ATOM 289 CA TYR A 109 1.155 -8.609 -6.792 1.00 7.58 C ATOM 290 C TYR A 109 0.122 -7.559 -6.387 1.00 6.75 C ATOM 291 O TYR A 109 0.446 -6.601 -5.686 1.00 5.79 O ATOM 292 CB TYR A 109 1.267 -9.681 -5.705 1.00 7.78 C ATOM 293 CG TYR A 109 2.014 -10.922 -6.144 1.00 8.74 C ATOM 294 CD1 TYR A 109 1.591 -11.660 -7.243 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.144 -11.353 -5.458 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.272 -12.793 -7.645 1.00 10.35 C ATOM 297 CE2 TYR A 109 3.831 -12.485 -5.856 1.00 9.98 C ATOM 298 CZ TYR A 109 3.392 -13.200 -6.949 1.00 10.60 C ATOM 299 OH TYR A 109 4.071 -14.328 -7.350 1.00 11.54 O ATOM 0 H TYR A 109 2.693 -7.244 -6.379 1.00 7.40 H new ATOM 0 HA TYR A 109 0.826 -9.078 -7.719 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.770 -9.254 -4.837 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.265 -9.966 -5.385 1.00 7.78 H new ATOM 0 HD1 TYR A 109 0.716 -11.343 -7.791 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.491 -10.795 -4.601 1.00 9.05 H new ATOM 0 HE1 TYR A 109 1.929 -13.357 -8.500 1.00 10.35 H new ATOM 0 HE2 TYR A 109 4.707 -12.807 -5.313 1.00 9.98 H new ATOM 0 HH TYR A 109 4.836 -14.478 -6.756 1.00 11.54 H new ATOM 309 N PRO A 110 -1.141 -7.724 -6.825 1.00 7.22 N ATOM 310 CA PRO A 110 -2.221 -6.783 -6.503 1.00 6.71 C ATOM 311 C PRO A 110 -2.304 -6.482 -5.010 1.00 6.03 C ATOM 312 O PRO A 110 -2.070 -7.357 -4.176 1.00 6.34 O ATOM 313 CB PRO A 110 -3.477 -7.517 -6.973 1.00 7.77 C ATOM 314 CG PRO A 110 -2.999 -8.404 -8.069 1.00 8.66 C ATOM 315 CD PRO A 110 -1.618 -8.839 -7.669 1.00 8.42 C ATOM 0 HA PRO A 110 -2.074 -5.813 -6.978 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -3.927 -8.092 -6.164 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.235 -6.819 -7.328 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.659 -9.263 -8.193 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.982 -7.874 -9.022 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.636 -9.780 -7.119 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.976 -8.989 -8.537 1.00 8.42 H new ATOM 323 N ALA A 111 -2.633 -5.237 -4.679 1.00 5.22 N ATOM 324 CA ALA A 111 -2.742 -4.818 -3.286 1.00 4.71 C ATOM 325 C ALA A 111 -3.843 -3.780 -3.102 1.00 4.65 C ATOM 326 O ALA A 111 -4.369 -3.237 -4.074 1.00 4.72 O ATOM 327 CB ALA A 111 -1.412 -4.264 -2.799 1.00 3.76 C ATOM 0 H ALA A 111 -2.829 -4.500 -5.357 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.004 -5.694 -2.692 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.506 -3.955 -1.758 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.645 -5.034 -2.881 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.130 -3.405 -3.409 1.00 3.76 H new ATOM 333 N THR A 112 -4.187 -3.510 -1.845 1.00 4.78 N ATOM 334 CA THR A 112 -5.224 -2.535 -1.525 1.00 5.14 C ATOM 335 C THR A 112 -4.889 -1.780 -0.243 1.00 4.91 C ATOM 336 O THR A 112 -4.818 -2.370 0.836 1.00 5.15 O ATOM 337 CB THR A 112 -6.600 -3.210 -1.364 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.769 -4.224 -2.363 1.00 6.81 O ATOM 339 CG2 THR A 112 -7.721 -2.189 -1.480 1.00 6.83 C ATOM 0 H THR A 112 -3.762 -3.954 -1.031 1.00 4.78 H new ATOM 0 HA THR A 112 -5.267 -1.833 -2.358 1.00 5.14 H new ATOM 0 HB THR A 112 -6.643 -3.664 -0.374 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.645 -4.649 -2.253 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.682 -2.689 -1.363 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.608 -1.434 -0.702 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.678 -1.711 -2.458 1.00 6.83 H new ATOM 347 N ILE A 113 -4.682 -0.472 -0.369 1.00 4.70 N ATOM 348 CA ILE A 113 -4.351 0.366 0.780 1.00 4.93 C ATOM 349 C ILE A 113 -5.486 0.368 1.801 1.00 6.00 C ATOM 350 O ILE A 113 -6.539 0.962 1.572 1.00 6.70 O ATOM 351 CB ILE A 113 -4.047 1.814 0.349 1.00 4.99 C ATOM 352 CG1 ILE A 113 -2.939 1.833 -0.705 1.00 4.08 C ATOM 353 CG2 ILE A 113 -3.651 2.652 1.555 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.308 2.596 -1.961 1.00 4.34 C ATOM 0 H ILE A 113 -4.738 0.031 -1.255 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.458 -0.058 1.240 1.00 4.93 H new ATOM 0 HB ILE A 113 -4.947 2.244 -0.089 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.043 2.277 -0.270 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -2.688 0.807 -0.974 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -3.439 3.672 1.235 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.468 2.660 2.277 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -2.762 2.225 2.019 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.474 2.567 -2.663 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.185 2.139 -2.420 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.531 3.632 -1.705 1.00 4.34 H new ATOM 366 N ALA A 114 -5.267 -0.316 2.920 1.00 6.19 N ATOM 367 CA ALA A 114 -6.275 -0.414 3.972 1.00 7.25 C ATOM 368 C ALA A 114 -6.157 0.714 4.998 1.00 7.83 C ATOM 369 O ALA A 114 -7.166 1.216 5.491 1.00 8.77 O ATOM 370 CB ALA A 114 -6.174 -1.764 4.665 1.00 7.35 C ATOM 0 H ALA A 114 -4.399 -0.812 3.122 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.251 -0.317 3.497 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.929 -1.828 5.448 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.337 -2.559 3.938 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.183 -1.873 5.107 1.00 7.35 H new ATOM 376 N SER A 115 -4.928 1.106 5.322 1.00 7.42 N ATOM 377 CA SER A 115 -4.703 2.169 6.298 1.00 8.19 C ATOM 378 C SER A 115 -3.437 2.949 5.971 1.00 7.84 C ATOM 379 O SER A 115 -2.537 2.441 5.305 1.00 6.96 O ATOM 380 CB SER A 115 -4.604 1.583 7.707 1.00 8.69 C ATOM 381 OG SER A 115 -5.796 1.805 8.440 1.00 9.20 O ATOM 0 H SER A 115 -4.077 0.707 4.926 1.00 7.42 H new ATOM 0 HA SER A 115 -5.551 2.853 6.254 1.00 8.19 H new ATOM 0 HB2 SER A 115 -4.406 0.513 7.645 1.00 8.69 H new ATOM 0 HB3 SER A 115 -3.762 2.033 8.232 1.00 8.69 H new ATOM 0 HG SER A 115 -5.706 1.419 9.336 1.00 9.20 H new ATOM 387 N ILE A 116 -3.376 4.192 6.437 1.00 8.68 N ATOM 388 CA ILE A 116 -2.220 5.047 6.189 1.00 8.72 C ATOM 389 C ILE A 116 -1.879 5.888 7.413 1.00 9.82 C ATOM 390 O ILE A 116 -2.765 6.306 8.158 1.00 10.64 O ATOM 391 CB ILE A 116 -2.468 5.984 4.991 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.860 5.183 3.753 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.236 6.833 4.708 1.00 8.99 C ATOM 394 CD1 ILE A 116 -4.133 5.675 3.104 1.00 7.79 C ATOM 0 H ILE A 116 -4.114 4.630 6.989 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.382 4.387 5.964 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.293 6.650 5.245 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.048 5.229 3.027 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -2.982 4.136 4.029 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.432 7.487 3.859 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -1.001 7.437 5.585 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.391 6.183 4.478 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -4.356 5.063 2.230 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.955 5.604 3.816 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -4.007 6.713 2.798 1.00 7.79 H new ATOM 406 N ASP A 117 -0.587 6.139 7.609 1.00 9.92 N ATOM 407 CA ASP A 117 -0.127 6.938 8.736 1.00 11.01 C ATOM 408 C ASP A 117 0.787 8.064 8.259 1.00 11.42 C ATOM 409 O ASP A 117 1.999 7.886 8.140 1.00 11.09 O ATOM 410 CB ASP A 117 0.608 6.060 9.750 1.00 11.04 C ATOM 411 CG ASP A 117 -0.062 4.714 9.944 1.00 11.32 C ATOM 412 OD1 ASP A 117 0.172 3.809 9.116 1.00 11.56 O ATOM 413 OD2 ASP A 117 -0.821 4.566 10.925 1.00 11.44 O ATOM 0 H ASP A 117 0.158 5.800 7.001 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.999 7.378 9.220 1.00 11.01 H new ATOM 0 HB2 ASP A 117 1.634 5.907 9.417 1.00 11.04 H new ATOM 0 HB3 ASP A 117 0.658 6.579 10.707 1.00 11.04 H new ATOM 418 N PHE A 118 0.191 9.219 7.978 1.00 12.23 N ATOM 419 CA PHE A 118 0.939 10.379 7.500 1.00 12.79 C ATOM 420 C PHE A 118 2.080 10.745 8.447 1.00 13.61 C ATOM 421 O PHE A 118 3.040 11.405 8.046 1.00 14.24 O ATOM 422 CB PHE A 118 0.002 11.577 7.332 1.00 13.45 C ATOM 423 CG PHE A 118 -1.126 11.328 6.374 1.00 12.78 C ATOM 424 CD1 PHE A 118 -0.882 11.177 5.017 1.00 12.45 C ATOM 425 CD2 PHE A 118 -2.434 11.245 6.828 1.00 12.56 C ATOM 426 CE1 PHE A 118 -1.918 10.949 4.133 1.00 11.89 C ATOM 427 CE2 PHE A 118 -3.475 11.017 5.947 1.00 12.01 C ATOM 428 CZ PHE A 118 -3.216 10.868 4.599 1.00 11.67 C ATOM 0 H PHE A 118 -0.812 9.378 8.073 1.00 12.23 H new ATOM 0 HA PHE A 118 1.374 10.116 6.536 1.00 12.79 H new ATOM 0 HB2 PHE A 118 -0.411 11.844 8.305 1.00 13.45 H new ATOM 0 HB3 PHE A 118 0.580 12.434 6.985 1.00 13.45 H new ATOM 0 HD1 PHE A 118 0.131 11.239 4.647 1.00 12.45 H new ATOM 0 HD2 PHE A 118 -2.642 11.360 7.882 1.00 12.56 H new ATOM 0 HE1 PHE A 118 -1.714 10.834 3.079 1.00 11.89 H new ATOM 0 HE2 PHE A 118 -4.489 10.956 6.313 1.00 12.01 H new ATOM 0 HZ PHE A 118 -4.028 10.688 3.909 1.00 11.67 H new ATOM 438 N LYS A 119 1.972 10.319 9.703 1.00 13.66 N ATOM 439 CA LYS A 119 2.999 10.610 10.700 1.00 14.45 C ATOM 440 C LYS A 119 4.377 10.165 10.215 1.00 14.19 C ATOM 441 O LYS A 119 5.254 10.990 9.968 1.00 14.83 O ATOM 442 CB LYS A 119 2.668 9.931 12.032 1.00 14.52 C ATOM 443 CG LYS A 119 1.958 8.595 11.882 1.00 15.42 C ATOM 444 CD LYS A 119 0.801 8.466 12.858 1.00 16.01 C ATOM 445 CE LYS A 119 1.290 8.255 14.284 1.00 16.53 C ATOM 446 NZ LYS A 119 2.249 7.120 14.383 1.00 16.87 N ATOM 0 H LYS A 119 1.186 9.772 10.054 1.00 13.66 H new ATOM 0 HA LYS A 119 3.019 11.689 10.851 1.00 14.45 H new ATOM 0 HB2 LYS A 119 3.591 9.780 12.591 1.00 14.52 H new ATOM 0 HB3 LYS A 119 2.043 10.599 12.624 1.00 14.52 H new ATOM 0 HG2 LYS A 119 1.588 8.491 10.862 1.00 15.42 H new ATOM 0 HG3 LYS A 119 2.667 7.784 12.048 1.00 15.42 H new ATOM 0 HD2 LYS A 119 0.185 9.364 12.813 1.00 16.01 H new ATOM 0 HD3 LYS A 119 0.167 7.630 12.563 1.00 16.01 H new ATOM 0 HE2 LYS A 119 1.769 9.166 14.642 1.00 16.53 H new ATOM 0 HE3 LYS A 119 0.437 8.067 14.936 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 2.272 6.769 15.362 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 1.947 6.354 13.747 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 3.199 7.443 14.109 1.00 16.87 H new ATOM 460 N ARG A 120 4.558 8.853 10.082 1.00 13.31 N ATOM 461 CA ARG A 120 5.828 8.298 9.628 1.00 13.08 C ATOM 462 C ARG A 120 5.801 8.021 8.127 1.00 12.15 C ATOM 463 O ARG A 120 6.564 7.193 7.626 1.00 11.68 O ATOM 464 CB ARG A 120 6.149 7.011 10.392 1.00 12.82 C ATOM 465 CG ARG A 120 6.941 7.243 11.667 1.00 13.39 C ATOM 466 CD ARG A 120 8.434 7.328 11.389 1.00 13.47 C ATOM 467 NE ARG A 120 9.022 8.551 11.930 1.00 14.06 N ATOM 468 CZ ARG A 120 9.827 8.575 12.990 1.00 14.44 C ATOM 469 NH1 ARG A 120 10.136 7.450 13.620 1.00 14.31 N ATOM 470 NH2 ARG A 120 10.322 9.728 13.420 1.00 15.09 N ATOM 0 H ARG A 120 3.841 8.156 10.282 1.00 13.31 H new ATOM 0 HA ARG A 120 6.607 9.034 9.826 1.00 13.08 H new ATOM 0 HB2 ARG A 120 5.217 6.504 10.640 1.00 12.82 H new ATOM 0 HB3 ARG A 120 6.712 6.342 9.741 1.00 12.82 H new ATOM 0 HG2 ARG A 120 6.605 8.165 12.142 1.00 13.39 H new ATOM 0 HG3 ARG A 120 6.746 6.433 12.370 1.00 13.39 H new ATOM 0 HD2 ARG A 120 8.934 6.462 11.824 1.00 13.47 H new ATOM 0 HD3 ARG A 120 8.605 7.288 10.313 1.00 13.47 H new ATOM 0 HE ARG A 120 8.804 9.435 11.470 1.00 14.06 H new ATOM 0 HH11 ARG A 120 9.757 6.562 13.293 1.00 14.31 H new ATOM 0 HH12 ARG A 120 10.753 7.473 14.432 1.00 14.31 H new ATOM 0 HH21 ARG A 120 10.086 10.596 12.939 1.00 15.09 H new ATOM 0 HH22 ARG A 120 10.939 9.747 14.232 1.00 15.09 H new ATOM 484 N GLU A 121 4.922 8.728 7.418 1.00 11.98 N ATOM 485 CA GLU A 121 4.788 8.575 5.970 1.00 11.15 C ATOM 486 C GLU A 121 4.811 7.103 5.562 1.00 10.00 C ATOM 487 O GLU A 121 5.687 6.669 4.810 1.00 9.65 O ATOM 488 CB GLU A 121 5.906 9.336 5.255 1.00 11.64 C ATOM 489 CG GLU A 121 5.808 10.846 5.409 1.00 12.24 C ATOM 490 CD GLU A 121 7.010 11.571 4.838 1.00 13.04 C ATOM 491 OE1 GLU A 121 7.597 11.071 3.857 1.00 13.22 O ATOM 492 OE2 GLU A 121 7.365 12.645 5.374 1.00 13.61 O ATOM 0 H GLU A 121 4.289 9.416 7.826 1.00 11.98 H new ATOM 0 HA GLU A 121 3.824 8.991 5.676 1.00 11.15 H new ATOM 0 HB2 GLU A 121 6.868 9.001 5.643 1.00 11.64 H new ATOM 0 HB3 GLU A 121 5.885 9.085 4.195 1.00 11.64 H new ATOM 0 HG2 GLU A 121 4.905 11.200 4.911 1.00 12.24 H new ATOM 0 HG3 GLU A 121 5.708 11.094 6.466 1.00 12.24 H new ATOM 499 N THR A 122 3.845 6.338 6.061 1.00 9.51 N ATOM 500 CA THR A 122 3.758 4.917 5.748 1.00 8.44 C ATOM 501 C THR A 122 2.314 4.503 5.481 1.00 7.82 C ATOM 502 O THR A 122 1.405 5.331 5.518 1.00 8.35 O ATOM 503 CB THR A 122 4.321 4.052 6.891 1.00 8.64 C ATOM 504 OG1 THR A 122 4.008 4.646 8.157 1.00 9.57 O ATOM 505 CG2 THR A 122 5.829 3.897 6.759 1.00 8.95 C ATOM 0 H THR A 122 3.112 6.679 6.683 1.00 9.51 H new ATOM 0 HA THR A 122 4.356 4.754 4.851 1.00 8.44 H new ATOM 0 HB THR A 122 3.862 3.065 6.830 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.368 4.088 8.878 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.205 3.282 7.577 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.064 3.418 5.808 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.300 4.879 6.797 1.00 8.95 H new ATOM 513 N CYS A 123 2.112 3.216 5.215 1.00 6.82 N ATOM 514 CA CYS A 123 0.779 2.691 4.944 1.00 6.32 C ATOM 515 C CYS A 123 0.765 1.168 5.012 1.00 5.48 C ATOM 516 O CYS A 123 1.815 0.531 5.099 1.00 5.04 O ATOM 517 CB CYS A 123 0.295 3.158 3.569 1.00 5.96 C ATOM 518 SG CYS A 123 1.021 2.251 2.183 1.00 5.05 S ATOM 0 H CYS A 123 2.855 2.518 5.181 1.00 6.82 H new ATOM 0 HA CYS A 123 0.104 3.074 5.710 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.790 3.060 3.525 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.524 4.218 3.456 1.00 5.96 H new ATOM 0 HG CYS A 123 0.077 1.851 1.384 1.00 5.05 H new ATOM 524 N VAL A 124 -0.431 0.592 4.968 1.00 5.51 N ATOM 525 CA VAL A 124 -0.594 -0.855 5.021 1.00 5.03 C ATOM 526 C VAL A 124 -1.332 -1.356 3.785 1.00 4.47 C ATOM 527 O VAL A 124 -2.407 -0.857 3.451 1.00 4.86 O ATOM 528 CB VAL A 124 -1.367 -1.287 6.282 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.569 -2.796 6.300 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.644 -0.824 7.536 1.00 6.50 C ATOM 0 H VAL A 124 -1.307 1.110 4.895 1.00 5.51 H new ATOM 0 HA VAL A 124 0.403 -1.293 5.054 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.349 -0.815 6.260 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.117 -3.079 7.199 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.136 -3.098 5.419 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.599 -3.293 6.295 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.205 -1.138 8.416 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.353 -1.264 7.565 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.561 0.263 7.528 1.00 6.50 H new ATOM 540 N VAL A 125 -0.750 -2.338 3.103 1.00 3.79 N ATOM 541 CA VAL A 125 -1.360 -2.890 1.901 1.00 3.55 C ATOM 542 C VAL A 125 -1.853 -4.315 2.125 1.00 4.11 C ATOM 543 O VAL A 125 -1.212 -5.105 2.820 1.00 4.19 O ATOM 544 CB VAL A 125 -0.373 -2.885 0.719 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.141 -1.467 0.222 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.941 -3.541 1.116 1.00 2.61 C ATOM 0 H VAL A 125 0.139 -2.765 3.362 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.211 -2.251 1.665 1.00 3.55 H new ATOM 0 HB VAL A 125 -0.809 -3.463 -0.096 1.00 2.74 H new ATOM 0 HG11 VAL A 125 0.559 -1.484 -0.613 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.087 -1.037 -0.107 1.00 2.53 H new ATOM 0 HG13 VAL A 125 0.272 -0.862 1.029 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.625 -3.528 0.268 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.384 -2.994 1.948 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.756 -4.572 1.417 1.00 2.61 H new ATOM 556 N VAL A 126 -2.991 -4.635 1.518 1.00 4.74 N ATOM 557 CA VAL A 126 -3.578 -5.964 1.631 1.00 5.60 C ATOM 558 C VAL A 126 -3.371 -6.749 0.341 1.00 5.78 C ATOM 559 O VAL A 126 -3.670 -6.259 -0.748 1.00 5.73 O ATOM 560 CB VAL A 126 -5.085 -5.892 1.940 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.624 -7.266 2.311 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.354 -4.887 3.050 1.00 6.75 C ATOM 0 H VAL A 126 -3.527 -3.988 0.940 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.076 -6.470 2.456 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.605 -5.556 1.043 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.690 -7.193 2.526 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.467 -7.955 1.481 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -5.101 -7.636 3.193 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.424 -4.849 3.255 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.822 -5.190 3.952 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.009 -3.901 2.739 1.00 6.75 H new ATOM 572 N TYR A 127 -2.855 -7.967 0.466 1.00 6.19 N ATOM 573 CA TYR A 127 -2.605 -8.812 -0.696 1.00 6.72 C ATOM 574 C TYR A 127 -3.890 -9.476 -1.178 1.00 7.79 C ATOM 575 O TYR A 127 -4.386 -10.416 -0.559 1.00 8.59 O ATOM 576 CB TYR A 127 -1.554 -9.873 -0.364 1.00 7.03 C ATOM 577 CG TYR A 127 -0.132 -9.376 -0.502 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.322 -8.300 0.252 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.753 -9.978 -1.387 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.619 -7.839 0.127 1.00 5.23 C ATOM 581 CE2 TYR A 127 2.053 -9.521 -1.516 1.00 5.99 C ATOM 582 CZ TYR A 127 2.480 -8.453 -0.756 1.00 5.42 C ATOM 583 OH TYR A 127 3.769 -7.996 -0.882 1.00 5.31 O ATOM 0 H TYR A 127 -2.602 -8.391 1.359 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.228 -8.179 -1.499 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -1.711 -10.222 0.657 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.696 -10.732 -1.020 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.349 -7.817 0.946 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.422 -10.815 -1.983 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.956 -7.001 0.719 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.730 -9.999 -2.209 1.00 5.99 H new ATOM 0 HH TYR A 127 4.065 -7.613 -0.030 1.00 5.31 H new ATOM 593 N THR A 128 -4.423 -8.970 -2.285 1.00 7.86 N ATOM 594 CA THR A 128 -5.655 -9.501 -2.859 1.00 8.91 C ATOM 595 C THR A 128 -5.527 -10.988 -3.175 1.00 9.91 C ATOM 596 O THR A 128 -4.862 -11.373 -4.136 1.00 10.27 O ATOM 597 CB THR A 128 -6.043 -8.749 -4.145 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.206 -7.599 -4.312 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.501 -8.318 -4.101 1.00 9.50 C ATOM 0 H THR A 128 -4.020 -8.190 -2.804 1.00 7.86 H new ATOM 0 HA THR A 128 -6.435 -9.360 -2.110 1.00 8.91 H new ATOM 0 HB THR A 128 -5.905 -9.424 -4.989 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.328 -6.992 -3.552 1.00 7.77 H new ATOM 0 HG21 THR A 128 -7.752 -7.789 -5.020 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.138 -9.197 -4.003 1.00 9.50 H new ATOM 0 HG23 THR A 128 -7.660 -7.659 -3.248 1.00 9.50 H new ATOM 607 N GLY A 129 -6.171 -11.819 -2.359 1.00 10.49 N ATOM 608 CA GLY A 129 -6.122 -13.254 -2.572 1.00 11.51 C ATOM 609 C GLY A 129 -5.301 -13.977 -1.523 1.00 11.53 C ATOM 610 O GLY A 129 -5.512 -15.164 -1.272 1.00 12.41 O ATOM 0 H GLY A 129 -6.725 -11.524 -1.555 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.137 -13.652 -2.570 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -5.703 -13.456 -3.558 1.00 11.51 H new ATOM 614 N TYR A 130 -4.363 -13.264 -0.908 1.00 10.62 N ATOM 615 CA TYR A 130 -3.506 -13.850 0.117 1.00 10.62 C ATOM 616 C TYR A 130 -3.987 -13.468 1.515 1.00 10.60 C ATOM 617 O TYR A 130 -3.796 -14.216 2.474 1.00 11.27 O ATOM 618 CB TYR A 130 -2.058 -13.398 -0.081 1.00 9.73 C ATOM 619 CG TYR A 130 -1.453 -13.856 -1.390 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.661 -13.140 -2.563 1.00 9.83 C ATOM 621 CD2 TYR A 130 -0.677 -15.006 -1.452 1.00 10.64 C ATOM 622 CE1 TYR A 130 -1.110 -13.557 -3.759 1.00 10.27 C ATOM 623 CE2 TYR A 130 -0.124 -15.429 -2.646 1.00 11.09 C ATOM 624 CZ TYR A 130 -0.343 -14.701 -3.795 1.00 10.92 C ATOM 625 OH TYR A 130 0.208 -15.119 -4.986 1.00 11.49 O ATOM 0 H TYR A 130 -4.177 -12.280 -1.101 1.00 10.62 H new ATOM 0 HA TYR A 130 -3.557 -14.935 0.021 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.016 -12.310 -0.032 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.452 -13.777 0.742 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -2.263 -12.244 -2.539 1.00 9.83 H new ATOM 0 HD2 TYR A 130 -0.503 -15.579 -0.553 1.00 10.64 H new ATOM 0 HE1 TYR A 130 -1.280 -12.989 -4.662 1.00 10.27 H new ATOM 0 HE2 TYR A 130 0.477 -16.326 -2.678 1.00 11.09 H new ATOM 0 HH TYR A 130 0.721 -15.941 -4.839 1.00 11.49 H new ATOM 635 N GLY A 131 -4.616 -12.301 1.619 1.00 9.97 N ATOM 636 CA GLY A 131 -5.122 -11.839 2.900 1.00 10.07 C ATOM 637 C GLY A 131 -4.061 -11.157 3.743 1.00 9.30 C ATOM 638 O GLY A 131 -4.362 -10.228 4.493 1.00 9.47 O ATOM 0 H GLY A 131 -4.785 -11.666 0.839 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -5.946 -11.145 2.731 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.528 -12.687 3.452 1.00 10.07 H new ATOM 642 N ASN A 132 -2.819 -11.622 3.628 1.00 8.58 N ATOM 643 CA ASN A 132 -1.711 -11.056 4.392 1.00 7.89 C ATOM 644 C ASN A 132 -1.619 -9.544 4.206 1.00 6.95 C ATOM 645 O ASN A 132 -1.869 -9.026 3.117 1.00 6.64 O ATOM 646 CB ASN A 132 -0.391 -11.706 3.972 1.00 7.85 C ATOM 647 CG ASN A 132 -0.467 -13.221 3.962 1.00 7.69 C ATOM 648 OD1 ASN A 132 -1.347 -13.816 4.582 1.00 7.99 O ATOM 649 ND2 ASN A 132 0.464 -13.854 3.256 1.00 7.49 N ATOM 0 H ASN A 132 -2.555 -12.391 3.012 1.00 8.58 H new ATOM 0 HA ASN A 132 -1.899 -11.260 5.446 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -0.116 -11.353 2.978 1.00 7.85 H new ATOM 0 HB3 ASN A 132 0.399 -11.390 4.653 1.00 7.85 H new ATOM 0 HD21 ASN A 132 0.467 -14.873 3.214 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.176 -13.321 2.757 1.00 7.49 H new ATOM 656 N ARG A 133 -1.252 -8.845 5.276 1.00 6.59 N ATOM 657 CA ARG A 133 -1.115 -7.394 5.240 1.00 5.87 C ATOM 658 C ARG A 133 0.277 -6.981 5.706 1.00 5.31 C ATOM 659 O ARG A 133 0.712 -7.361 6.793 1.00 5.65 O ATOM 660 CB ARG A 133 -2.178 -6.735 6.122 1.00 6.37 C ATOM 661 CG ARG A 133 -3.557 -6.687 5.484 1.00 6.55 C ATOM 662 CD ARG A 133 -4.655 -6.895 6.515 1.00 7.46 C ATOM 663 NE ARG A 133 -4.536 -5.969 7.638 1.00 7.96 N ATOM 664 CZ ARG A 133 -5.339 -5.984 8.700 1.00 8.74 C ATOM 665 NH1 ARG A 133 -6.319 -6.873 8.781 1.00 9.12 N ATOM 666 NH2 ARG A 133 -5.160 -5.111 9.679 1.00 9.35 N ATOM 0 H ARG A 133 -1.043 -9.263 6.183 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.256 -7.061 4.212 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -2.242 -7.278 7.065 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.862 -5.719 6.360 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -3.697 -5.725 4.990 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.630 -7.455 4.714 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -5.627 -6.765 6.040 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -4.615 -7.920 6.885 1.00 7.46 H new ATOM 0 HE ARG A 133 -3.794 -5.270 7.607 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -6.459 -7.547 8.029 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -6.933 -6.883 9.596 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -4.406 -4.426 9.620 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -5.776 -5.123 10.492 1.00 9.35 H new ATOM 680 N GLU A 134 0.975 -6.210 4.879 1.00 4.60 N ATOM 681 CA GLU A 134 2.324 -5.761 5.214 1.00 4.37 C ATOM 682 C GLU A 134 2.451 -4.246 5.086 1.00 4.10 C ATOM 683 O GLU A 134 1.856 -3.635 4.196 1.00 3.69 O ATOM 684 CB GLU A 134 3.350 -6.449 4.312 1.00 4.32 C ATOM 685 CG GLU A 134 3.079 -7.929 4.096 1.00 4.69 C ATOM 686 CD GLU A 134 4.181 -8.813 4.648 1.00 5.28 C ATOM 687 OE1 GLU A 134 4.134 -9.133 5.854 1.00 5.81 O ATOM 688 OE2 GLU A 134 5.089 -9.182 3.875 1.00 5.49 O ATOM 0 H GLU A 134 0.632 -5.884 3.976 1.00 4.60 H new ATOM 0 HA GLU A 134 2.519 -6.032 6.252 1.00 4.37 H new ATOM 0 HB2 GLU A 134 3.365 -5.947 3.345 1.00 4.32 H new ATOM 0 HB3 GLU A 134 4.342 -6.330 4.748 1.00 4.32 H new ATOM 0 HG2 GLU A 134 2.134 -8.194 4.571 1.00 4.69 H new ATOM 0 HG3 GLU A 134 2.965 -8.121 3.029 1.00 4.69 H new ATOM 695 N GLU A 135 3.232 -3.646 5.980 1.00 4.58 N ATOM 696 CA GLU A 135 3.444 -2.202 5.970 1.00 4.87 C ATOM 697 C GLU A 135 4.499 -1.817 4.937 1.00 4.79 C ATOM 698 O GLU A 135 5.583 -2.399 4.894 1.00 5.09 O ATOM 699 CB GLU A 135 3.873 -1.722 7.359 1.00 5.81 C ATOM 700 CG GLU A 135 3.555 -0.260 7.624 1.00 6.48 C ATOM 701 CD GLU A 135 4.616 0.424 8.466 1.00 7.38 C ATOM 702 OE1 GLU A 135 5.725 0.662 7.944 1.00 7.78 O ATOM 703 OE2 GLU A 135 4.337 0.720 9.647 1.00 7.86 O ATOM 0 H GLU A 135 3.729 -4.139 6.722 1.00 4.58 H new ATOM 0 HA GLU A 135 2.504 -1.720 5.700 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.380 -2.335 8.114 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.946 -1.878 7.473 1.00 5.81 H new ATOM 0 HG2 GLU A 135 3.456 0.265 6.674 1.00 6.48 H new ATOM 0 HG3 GLU A 135 2.592 -0.187 8.130 1.00 6.48 H new ATOM 710 N GLN A 136 4.174 -0.831 4.106 1.00 4.64 N ATOM 711 CA GLN A 136 5.088 -0.367 3.069 1.00 4.84 C ATOM 712 C GLN A 136 5.135 1.157 3.027 1.00 5.56 C ATOM 713 O GLN A 136 4.390 1.831 3.741 1.00 5.86 O ATOM 714 CB GLN A 136 4.663 -0.916 1.706 1.00 4.04 C ATOM 715 CG GLN A 136 5.825 -1.392 0.849 1.00 4.34 C ATOM 716 CD GLN A 136 5.749 -2.873 0.533 1.00 4.37 C ATOM 717 OE1 GLN A 136 4.843 -3.573 0.990 1.00 4.53 O ATOM 718 NE2 GLN A 136 6.702 -3.360 -0.254 1.00 4.63 N ATOM 0 H GLN A 136 3.282 -0.337 4.131 1.00 4.64 H new ATOM 0 HA GLN A 136 6.086 -0.735 3.306 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.972 -1.745 1.858 1.00 4.04 H new ATOM 0 HB3 GLN A 136 4.118 -0.141 1.166 1.00 4.04 H new ATOM 0 HG2 GLN A 136 5.840 -0.826 -0.082 1.00 4.34 H new ATOM 0 HG3 GLN A 136 6.762 -1.182 1.365 1.00 4.34 H new ATOM 0 HE21 GLN A 136 7.433 -2.745 -0.610 1.00 4.63 H new ATOM 0 HE22 GLN A 136 6.702 -4.349 -0.502 1.00 4.63 H new ATOM 727 N ASN A 137 6.010 1.696 2.184 1.00 6.06 N ATOM 728 CA ASN A 137 6.150 3.143 2.045 1.00 6.90 C ATOM 729 C ASN A 137 5.293 3.660 0.894 1.00 6.54 C ATOM 730 O ASN A 137 5.243 3.052 -0.175 1.00 5.95 O ATOM 731 CB ASN A 137 7.616 3.514 1.813 1.00 7.87 C ATOM 732 CG ASN A 137 7.813 5.006 1.635 1.00 8.40 C ATOM 733 OD1 ASN A 137 8.699 5.380 0.717 1.00 8.92 O flip ATOM 734 ND2 ASN A 137 7.181 5.815 2.314 1.00 8.47 N flip ATOM 0 H ASN A 137 6.633 1.153 1.586 1.00 6.06 H new ATOM 0 HA ASN A 137 5.808 3.609 2.969 1.00 6.90 H new ATOM 0 HB2 ASN A 137 8.213 3.170 2.657 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.984 2.994 0.929 1.00 7.87 H new ATOM 0 HD21 ASN A 137 6.510 5.485 3.008 1.00 8.47 H new ATOM 0 HD22 ASN A 137 7.328 6.816 2.183 1.00 8.47 H new ATOM 741 N LEU A 138 4.613 4.780 1.122 1.00 7.04 N ATOM 742 CA LEU A 138 3.750 5.374 0.105 1.00 6.90 C ATOM 743 C LEU A 138 4.529 5.682 -1.171 1.00 7.16 C ATOM 744 O LEU A 138 4.015 5.518 -2.277 1.00 6.67 O ATOM 745 CB LEU A 138 3.101 6.653 0.640 1.00 7.77 C ATOM 746 CG LEU A 138 2.017 6.438 1.695 1.00 7.75 C ATOM 747 CD1 LEU A 138 1.783 7.715 2.488 1.00 8.95 C ATOM 748 CD2 LEU A 138 0.725 5.968 1.044 1.00 7.32 C ATOM 0 H LEU A 138 4.643 5.295 2.002 1.00 7.04 H new ATOM 0 HA LEU A 138 2.972 4.650 -0.136 1.00 6.90 H new ATOM 0 HB2 LEU A 138 3.880 7.286 1.065 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.668 7.200 -0.198 1.00 7.77 H new ATOM 0 HG LEU A 138 2.356 5.664 2.384 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.008 7.543 3.235 1.00 8.95 H new ATOM 0 HD12 LEU A 138 2.707 8.009 2.986 1.00 8.95 H new ATOM 0 HD13 LEU A 138 1.466 8.510 1.813 1.00 8.95 H new ATOM 0 HD21 LEU A 138 -0.036 5.820 1.810 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.382 6.719 0.332 1.00 7.32 H new ATOM 0 HD23 LEU A 138 0.902 5.028 0.522 1.00 7.32 H new ATOM 760 N SER A 139 5.772 6.131 -1.011 1.00 8.07 N ATOM 761 CA SER A 139 6.619 6.465 -2.153 1.00 8.59 C ATOM 762 C SER A 139 7.014 5.208 -2.924 1.00 8.04 C ATOM 763 O SER A 139 7.530 5.289 -4.039 1.00 8.40 O ATOM 764 CB SER A 139 7.873 7.206 -1.683 1.00 9.76 C ATOM 765 OG SER A 139 9.003 6.844 -2.458 1.00 10.26 O ATOM 0 H SER A 139 6.214 6.272 -0.103 1.00 8.07 H new ATOM 0 HA SER A 139 6.050 7.113 -2.820 1.00 8.59 H new ATOM 0 HB2 SER A 139 7.711 8.282 -1.753 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.061 6.979 -0.634 1.00 9.76 H new ATOM 0 HG SER A 139 9.790 7.333 -2.137 1.00 10.26 H new ATOM 771 N ASP A 140 6.768 4.048 -2.324 1.00 7.28 N ATOM 772 CA ASP A 140 7.098 2.776 -2.954 1.00 6.90 C ATOM 773 C ASP A 140 5.847 2.080 -3.482 1.00 5.82 C ATOM 774 O ASP A 140 5.899 0.929 -3.913 1.00 5.53 O ATOM 775 CB ASP A 140 7.819 1.864 -1.959 1.00 6.97 C ATOM 776 CG ASP A 140 9.262 2.276 -1.737 1.00 7.80 C ATOM 777 OD1 ASP A 140 10.020 2.341 -2.728 1.00 8.30 O ATOM 778 OD2 ASP A 140 9.633 2.536 -0.574 1.00 8.12 O ATOM 0 H ASP A 140 6.341 3.963 -1.402 1.00 7.28 H new ATOM 0 HA ASP A 140 7.757 2.981 -3.798 1.00 6.90 H new ATOM 0 HB2 ASP A 140 7.289 1.879 -1.007 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.789 0.837 -2.324 1.00 6.97 H new ATOM 783 N LEU A 141 4.721 2.789 -3.447 1.00 5.41 N ATOM 784 CA LEU A 141 3.457 2.239 -3.924 1.00 4.46 C ATOM 785 C LEU A 141 3.381 2.290 -5.448 1.00 4.72 C ATOM 786 O LEU A 141 3.550 3.350 -6.049 1.00 5.47 O ATOM 787 CB LEU A 141 2.277 3.004 -3.317 1.00 4.23 C ATOM 788 CG LEU A 141 1.852 2.545 -1.920 1.00 3.96 C ATOM 789 CD1 LEU A 141 0.707 3.403 -1.403 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.450 1.076 -1.936 1.00 3.01 C ATOM 0 H LEU A 141 4.659 3.744 -3.094 1.00 5.41 H new ATOM 0 HA LEU A 141 3.404 1.197 -3.609 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.535 4.062 -3.271 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.422 2.913 -3.987 1.00 4.23 H new ATOM 0 HG LEU A 141 2.703 2.661 -1.248 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.418 3.063 -0.409 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.027 4.444 -1.352 1.00 4.31 H new ATOM 0 HD13 LEU A 141 -0.145 3.318 -2.078 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.151 0.770 -0.933 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.615 0.935 -2.622 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.295 0.471 -2.264 1.00 3.01 H new ATOM 802 N LEU A 142 3.126 1.140 -6.063 1.00 4.30 N ATOM 803 CA LEU A 142 3.028 1.056 -7.516 1.00 4.79 C ATOM 804 C LEU A 142 1.585 1.242 -7.977 1.00 4.37 C ATOM 805 O LEU A 142 0.645 0.935 -7.245 1.00 3.72 O ATOM 806 CB LEU A 142 3.563 -0.291 -8.011 1.00 5.32 C ATOM 807 CG LEU A 142 4.872 -0.748 -7.364 1.00 5.88 C ATOM 808 CD1 LEU A 142 5.083 -2.238 -7.584 1.00 6.01 C ATOM 809 CD2 LEU A 142 6.044 0.046 -7.917 1.00 6.92 C ATOM 0 H LEU A 142 2.984 0.254 -5.579 1.00 4.30 H new ATOM 0 HA LEU A 142 3.633 1.857 -7.940 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.804 -1.053 -7.835 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.710 -0.231 -9.089 1.00 5.32 H new ATOM 0 HG LEU A 142 4.809 -0.565 -6.291 1.00 5.88 H new ATOM 0 HD11 LEU A 142 6.019 -2.546 -7.117 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.256 -2.792 -7.139 1.00 6.01 H new ATOM 0 HD13 LEU A 142 5.126 -2.445 -8.653 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.967 -0.292 -7.446 1.00 6.92 H new ATOM 0 HD22 LEU A 142 6.110 -0.105 -8.994 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.897 1.106 -7.708 1.00 6.92 H new ATOM 821 N SER A 143 1.419 1.749 -9.195 1.00 4.93 N ATOM 822 CA SER A 143 0.093 1.978 -9.757 1.00 4.89 C ATOM 823 C SER A 143 -0.570 0.657 -10.148 1.00 5.19 C ATOM 824 O SER A 143 0.111 -0.342 -10.376 1.00 5.64 O ATOM 825 CB SER A 143 0.191 2.898 -10.977 1.00 5.50 C ATOM 826 OG SER A 143 1.400 3.637 -10.964 1.00 6.07 O ATOM 0 H SER A 143 2.188 2.009 -9.812 1.00 4.93 H new ATOM 0 HA SER A 143 -0.523 2.457 -8.996 1.00 4.89 H new ATOM 0 HB2 SER A 143 0.134 2.304 -11.889 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.657 3.583 -10.989 1.00 5.50 H new ATOM 0 HG SER A 143 1.439 4.215 -11.754 1.00 6.07 H new ATOM 832 N PRO A 144 -1.915 0.633 -10.230 1.00 5.25 N ATOM 833 CA PRO A 144 -2.662 -0.577 -10.595 1.00 5.91 C ATOM 834 C PRO A 144 -2.369 -1.034 -12.020 1.00 6.73 C ATOM 835 O PRO A 144 -1.575 -0.415 -12.730 1.00 7.04 O ATOM 836 CB PRO A 144 -4.130 -0.152 -10.462 1.00 6.05 C ATOM 837 CG PRO A 144 -4.112 1.333 -10.575 1.00 5.71 C ATOM 838 CD PRO A 144 -2.811 1.776 -9.974 1.00 5.04 C ATOM 0 HA PRO A 144 -2.392 -1.423 -9.963 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.743 -0.600 -11.244 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.548 -0.470 -9.507 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.188 1.646 -11.616 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -4.957 1.775 -10.047 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.442 2.689 -10.441 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -2.909 1.980 -8.908 1.00 5.04 H new ATOM 846 N ILE A 145 -3.014 -2.122 -12.432 1.00 7.30 N ATOM 847 CA ILE A 145 -2.820 -2.664 -13.773 1.00 8.19 C ATOM 848 C ILE A 145 -4.131 -2.683 -14.553 1.00 8.35 C ATOM 849 O ILE A 145 -5.214 -2.724 -13.967 1.00 8.81 O ATOM 850 CB ILE A 145 -2.243 -4.094 -13.727 1.00 8.86 C ATOM 851 CG1 ILE A 145 -1.308 -4.254 -12.526 1.00 9.14 C ATOM 852 CG2 ILE A 145 -1.511 -4.408 -15.023 1.00 9.47 C ATOM 853 CD1 ILE A 145 -0.923 -5.691 -12.241 1.00 9.94 C ATOM 0 H ILE A 145 -3.675 -2.645 -11.857 1.00 7.30 H new ATOM 0 HA ILE A 145 -2.108 -2.010 -14.277 1.00 8.19 H new ATOM 0 HB ILE A 145 -3.066 -4.800 -13.616 1.00 8.86 H new ATOM 0 HG12 ILE A 145 -0.403 -3.673 -12.702 1.00 9.14 H new ATOM 0 HG13 ILE A 145 -1.790 -3.834 -11.643 1.00 9.14 H new ATOM 0 HG21 ILE A 145 -1.109 -5.420 -14.978 1.00 9.47 H new ATOM 0 HG22 ILE A 145 -2.204 -4.330 -15.860 1.00 9.47 H new ATOM 0 HG23 ILE A 145 -0.695 -3.699 -15.161 1.00 9.47 H new ATOM 0 HD11 ILE A 145 -0.260 -5.725 -11.377 1.00 9.94 H new ATOM 0 HD12 ILE A 145 -1.820 -6.274 -12.033 1.00 9.94 H new ATOM 0 HD13 ILE A 145 -0.412 -6.109 -13.108 1.00 9.94 H new TER 865 ILE A 145