USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 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 Set 1.1: A 97 LYS NZ :NH3+ -137:sc= -2.31! (180deg=-4.88!) USER MOD Set 1.2: A 128 THR OG1 : rot -112:sc= 0.0885 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.222 F(o=-0.93,f=-0.22) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.182 USER MOD Single : A 99 SER OG : rot 116:sc= 0.0323 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 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00597 USER MOD Single : A 123 CYS SG : rot -10:sc= -1.84! USER MOD Single : A 127 TYR OH : rot -36:sc= -0.399! USER MOD Single : A 130 TYR OH : rot -150:sc= 0.0979 USER MOD Single : A 132 ASN : amide:sc= -0.109 X(o=-0.11,f=0.18) USER MOD Single : A 136 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 137 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 90 -2.597 10.308 -7.871 1.00 7.42 N ATOM 2 CA GLN A 90 -1.379 10.701 -7.172 1.00 8.00 C ATOM 3 C GLN A 90 -1.598 10.705 -5.662 1.00 8.02 C ATOM 4 O GLN A 90 -0.726 10.286 -4.899 1.00 8.02 O ATOM 5 CB GLN A 90 -0.926 12.087 -7.636 1.00 8.61 C ATOM 6 CG GLN A 90 0.582 12.276 -7.615 1.00 9.27 C ATOM 7 CD GLN A 90 1.057 13.056 -6.406 1.00 9.99 C ATOM 8 OE1 GLN A 90 0.323 14.105 -6.052 1.00 10.31 O flip ATOM 9 NE2 GLN A 90 2.071 12.720 -5.793 1.00 10.47 N flip ATOM 0 HA GLN A 90 -0.602 9.974 -7.408 1.00 8.00 H new ATOM 0 HB2 GLN A 90 -1.291 12.258 -8.649 1.00 8.61 H new ATOM 0 HB3 GLN A 90 -1.387 12.842 -6.999 1.00 8.61 H new ATOM 0 HG2 GLN A 90 1.067 11.300 -7.626 1.00 9.27 H new ATOM 0 HG3 GLN A 90 0.892 12.795 -8.522 1.00 9.27 H new ATOM 0 HE21 GLN A 90 2.606 11.907 -6.099 1.00 10.47 H new ATOM 0 HE22 GLN A 90 2.376 13.255 -4.980 1.00 10.47 H new ATOM 18 N GLN A 91 -2.764 11.183 -5.239 1.00 8.30 N ATOM 19 CA GLN A 91 -3.096 11.245 -3.820 1.00 8.58 C ATOM 20 C GLN A 91 -3.636 9.907 -3.325 1.00 7.86 C ATOM 21 O GLN A 91 -4.717 9.475 -3.727 1.00 7.55 O ATOM 22 CB GLN A 91 -4.125 12.347 -3.562 1.00 9.49 C ATOM 23 CG GLN A 91 -4.088 12.895 -2.145 1.00 9.88 C ATOM 24 CD GLN A 91 -4.175 14.408 -2.103 1.00 10.82 C ATOM 25 OE1 GLN A 91 -5.227 14.989 -2.368 1.00 11.18 O ATOM 26 NE2 GLN A 91 -3.064 15.055 -1.769 1.00 11.40 N ATOM 0 H GLN A 91 -3.495 11.533 -5.859 1.00 8.30 H new ATOM 0 HA GLN A 91 -2.182 11.473 -3.271 1.00 8.58 H new ATOM 0 HB2 GLN A 91 -3.953 13.164 -4.263 1.00 9.49 H new ATOM 0 HB3 GLN A 91 -5.122 11.956 -3.766 1.00 9.49 H new ATOM 0 HG2 GLN A 91 -4.914 12.471 -1.574 1.00 9.88 H new ATOM 0 HG3 GLN A 91 -3.167 12.574 -1.659 1.00 9.88 H new ATOM 0 HE21 GLN A 91 -2.214 14.533 -1.557 1.00 11.40 H new ATOM 0 HE22 GLN A 91 -3.061 16.074 -1.724 1.00 11.40 H new ATOM 35 N TRP A 92 -2.874 9.255 -2.451 1.00 7.74 N ATOM 36 CA TRP A 92 -3.275 7.968 -1.900 1.00 7.12 C ATOM 37 C TRP A 92 -4.305 8.148 -0.788 1.00 7.81 C ATOM 38 O TRP A 92 -4.159 9.017 0.072 1.00 8.60 O ATOM 39 CB TRP A 92 -2.054 7.218 -1.365 1.00 6.73 C ATOM 40 CG TRP A 92 -1.086 6.817 -2.436 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.201 7.251 -2.583 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.327 5.906 -3.514 1.00 5.26 C ATOM 43 NE1 TRP A 92 0.774 6.663 -3.683 1.00 5.95 N ATOM 44 CE2 TRP A 92 -0.143 5.833 -4.273 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.428 5.142 -3.911 1.00 4.81 C ATOM 46 CZ2 TRP A 92 -0.031 5.027 -5.403 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.315 4.342 -5.033 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.126 4.292 -5.768 1.00 4.18 C ATOM 0 H TRP A 92 -1.976 9.598 -2.110 1.00 7.74 H new ATOM 0 HA TRP A 92 -3.731 7.384 -2.700 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.540 7.847 -0.638 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -2.388 6.326 -0.835 1.00 6.73 H new ATOM 0 HD1 TRP A 92 0.695 7.954 -1.929 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.728 6.819 -4.009 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.351 5.176 -3.351 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.887 4.984 -5.971 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.159 3.746 -5.347 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.071 3.660 -6.642 1.00 4.18 H new ATOM 59 N LYS A 93 -5.348 7.324 -0.816 1.00 7.67 N ATOM 60 CA LYS A 93 -6.405 7.391 0.186 1.00 8.46 C ATOM 61 C LYS A 93 -6.813 5.994 0.641 1.00 8.08 C ATOM 62 O LYS A 93 -6.432 4.996 0.029 1.00 7.25 O ATOM 63 CB LYS A 93 -7.619 8.132 -0.375 1.00 9.25 C ATOM 64 CG LYS A 93 -7.492 9.645 -0.311 1.00 10.03 C ATOM 65 CD LYS A 93 -8.856 10.319 -0.313 1.00 10.80 C ATOM 66 CE LYS A 93 -9.404 10.460 -1.724 1.00 11.72 C ATOM 67 NZ LYS A 93 -10.586 9.583 -1.951 1.00 12.39 N ATOM 0 H LYS A 93 -5.483 6.601 -1.523 1.00 7.67 H new ATOM 0 HA LYS A 93 -6.021 7.936 1.048 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -7.770 7.832 -1.412 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -8.508 7.827 0.178 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -6.946 9.928 0.589 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -6.909 9.999 -1.161 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -9.551 9.738 0.292 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -8.778 11.303 0.148 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -9.683 11.498 -1.903 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -8.624 10.211 -2.443 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -10.930 9.709 -2.925 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -10.314 8.590 -1.805 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -11.341 9.837 -1.282 1.00 12.39 H new ATOM 81 N VAL A 94 -7.594 5.930 1.716 1.00 8.81 N ATOM 82 CA VAL A 94 -8.054 4.654 2.251 1.00 8.73 C ATOM 83 C VAL A 94 -8.987 3.959 1.265 1.00 8.69 C ATOM 84 O VAL A 94 -10.031 4.498 0.896 1.00 9.36 O ATOM 85 CB VAL A 94 -8.782 4.827 3.597 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.834 3.507 4.350 1.00 9.66 C ATOM 87 CG2 VAL A 94 -8.106 5.902 4.439 1.00 10.15 C ATOM 0 H VAL A 94 -7.921 6.747 2.233 1.00 8.81 H new ATOM 0 HA VAL A 94 -7.167 4.041 2.412 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.805 5.146 3.396 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.352 3.649 5.298 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.368 2.768 3.752 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.820 3.156 4.540 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -8.635 6.009 5.386 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -7.072 5.616 4.632 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -8.127 6.851 3.903 1.00 10.15 H new ATOM 97 N GLY A 95 -8.600 2.761 0.841 1.00 8.04 N ATOM 98 CA GLY A 95 -9.406 2.010 -0.101 1.00 8.20 C ATOM 99 C GLY A 95 -9.080 2.353 -1.541 1.00 7.64 C ATOM 100 O GLY A 95 -9.808 3.110 -2.184 1.00 8.10 O ATOM 0 H GLY A 95 -7.741 2.296 1.134 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.249 0.943 0.060 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.461 2.209 0.087 1.00 8.20 H new ATOM 104 N ASP A 96 -7.984 1.794 -2.045 1.00 6.70 N ATOM 105 CA ASP A 96 -7.560 2.044 -3.419 1.00 6.20 C ATOM 106 C ASP A 96 -6.725 0.881 -3.945 1.00 5.53 C ATOM 107 O ASP A 96 -5.750 0.469 -3.315 1.00 4.92 O ATOM 108 CB ASP A 96 -6.758 3.344 -3.499 1.00 5.87 C ATOM 109 CG ASP A 96 -7.646 4.562 -3.663 1.00 6.35 C ATOM 110 OD1 ASP A 96 -8.497 4.557 -4.577 1.00 6.81 O ATOM 111 OD2 ASP A 96 -7.491 5.520 -2.877 1.00 6.44 O ATOM 0 H ASP A 96 -7.374 1.165 -1.523 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.451 2.140 -4.040 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.158 3.454 -2.595 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -6.064 3.288 -4.337 1.00 5.87 H new ATOM 116 N LYS A 97 -7.117 0.353 -5.099 1.00 5.83 N ATOM 117 CA LYS A 97 -6.408 -0.765 -5.709 1.00 5.62 C ATOM 118 C LYS A 97 -5.051 -0.326 -6.249 1.00 4.80 C ATOM 119 O LYS A 97 -4.972 0.431 -7.216 1.00 4.86 O ATOM 120 CB LYS A 97 -7.245 -1.374 -6.836 1.00 6.55 C ATOM 121 CG LYS A 97 -8.181 -2.477 -6.371 1.00 7.39 C ATOM 122 CD LYS A 97 -7.799 -3.820 -6.973 1.00 7.70 C ATOM 123 CE LYS A 97 -8.492 -4.969 -6.257 1.00 8.21 C ATOM 124 NZ LYS A 97 -7.573 -6.118 -6.035 1.00 9.10 N ATOM 0 H LYS A 97 -7.923 0.682 -5.631 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.243 -1.518 -4.938 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.832 -0.586 -7.308 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.576 -1.774 -7.598 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -8.155 -2.544 -5.283 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.205 -2.229 -6.651 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -8.065 -3.835 -8.030 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.719 -3.952 -6.914 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -8.876 -4.621 -5.298 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -9.350 -5.298 -6.844 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -8.069 -7.006 -6.252 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -6.744 -6.024 -6.655 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -7.263 -6.128 -5.042 1.00 9.10 H new ATOM 138 N CYS A 98 -3.986 -0.811 -5.616 1.00 4.16 N ATOM 139 CA CYS A 98 -2.627 -0.474 -6.030 1.00 3.60 C ATOM 140 C CYS A 98 -1.785 -1.737 -6.205 1.00 3.78 C ATOM 141 O CYS A 98 -2.321 -2.838 -6.324 1.00 4.46 O ATOM 142 CB CYS A 98 -1.974 0.451 -5.001 1.00 2.97 C ATOM 143 SG CYS A 98 -1.445 -0.382 -3.486 1.00 2.58 S ATOM 0 H CYS A 98 -4.038 -1.439 -4.814 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.681 0.042 -6.989 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.110 0.932 -5.459 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.678 1.241 -4.741 1.00 2.97 H new ATOM 0 HG CYS A 98 -0.904 0.484 -2.681 1.00 2.58 H new ATOM 149 N SER A 99 -0.464 -1.568 -6.225 1.00 3.54 N ATOM 150 CA SER A 99 0.449 -2.695 -6.389 1.00 4.08 C ATOM 151 C SER A 99 1.653 -2.562 -5.463 1.00 3.73 C ATOM 152 O SER A 99 2.175 -1.465 -5.264 1.00 3.54 O ATOM 153 CB SER A 99 0.921 -2.789 -7.840 1.00 5.02 C ATOM 154 OG SER A 99 -0.176 -2.764 -8.736 1.00 5.76 O ATOM 0 H SER A 99 -0.004 -0.663 -6.130 1.00 3.54 H new ATOM 0 HA SER A 99 -0.091 -3.605 -6.127 1.00 4.08 H new ATOM 0 HB2 SER A 99 1.594 -1.961 -8.061 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.490 -3.708 -7.982 1.00 5.02 H new ATOM 0 HG SER A 99 -0.130 -1.955 -9.287 1.00 5.76 H new ATOM 160 N ALA A 100 2.092 -3.686 -4.902 1.00 3.97 N ATOM 161 CA ALA A 100 3.236 -3.692 -4.000 1.00 3.95 C ATOM 162 C ALA A 100 4.103 -4.927 -4.220 1.00 4.93 C ATOM 163 O ALA A 100 3.607 -5.984 -4.612 1.00 5.47 O ATOM 164 CB ALA A 100 2.771 -3.623 -2.553 1.00 3.19 C ATOM 0 H ALA A 100 1.672 -4.602 -5.057 1.00 3.97 H new ATOM 0 HA ALA A 100 3.841 -2.812 -4.217 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.637 -3.628 -1.892 1.00 3.19 H new ATOM 0 HB2 ALA A 100 2.201 -2.707 -2.397 1.00 3.19 H new ATOM 0 HB3 ALA A 100 2.141 -4.484 -2.332 1.00 3.19 H new ATOM 170 N ILE A 101 5.401 -4.784 -3.967 1.00 5.36 N ATOM 171 CA ILE A 101 6.340 -5.887 -4.136 1.00 6.34 C ATOM 172 C ILE A 101 6.312 -6.818 -2.930 1.00 6.26 C ATOM 173 O ILE A 101 6.177 -6.371 -1.791 1.00 5.81 O ATOM 174 CB ILE A 101 7.777 -5.375 -4.343 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.783 -4.170 -5.286 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.662 -6.489 -4.887 1.00 8.16 C ATOM 177 CD1 ILE A 101 9.088 -3.403 -5.284 1.00 7.47 C ATOM 0 H ILE A 101 5.826 -3.915 -3.644 1.00 5.36 H new ATOM 0 HA ILE A 101 6.028 -6.436 -5.024 1.00 6.34 H new ATOM 0 HB ILE A 101 8.177 -5.058 -3.380 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.574 -4.512 -6.300 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.975 -3.495 -5.004 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.675 -6.113 -5.028 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.679 -7.319 -4.180 1.00 8.16 H new ATOM 0 HG23 ILE A 101 8.267 -6.834 -5.842 1.00 8.16 H new ATOM 0 HD11 ILE A 101 9.018 -2.563 -5.976 1.00 7.47 H new ATOM 0 HD12 ILE A 101 9.289 -3.030 -4.280 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.898 -4.062 -5.595 1.00 7.47 H new ATOM 189 N TRP A 102 6.439 -8.116 -3.189 1.00 6.86 N ATOM 190 CA TRP A 102 6.426 -9.113 -2.124 1.00 6.96 C ATOM 191 C TRP A 102 7.835 -9.375 -1.603 1.00 7.60 C ATOM 192 O TRP A 102 8.777 -9.526 -2.380 1.00 8.38 O ATOM 193 CB TRP A 102 5.802 -10.418 -2.627 1.00 7.61 C ATOM 194 CG TRP A 102 5.185 -11.250 -1.540 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.005 -10.898 -0.231 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.667 -12.579 -1.671 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.407 -11.927 0.456 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.190 -12.969 -0.406 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.560 -13.477 -2.738 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.613 -14.216 -0.179 1.00 8.82 C ATOM 201 CZ3 TRP A 102 3.988 -14.715 -2.510 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.521 -15.075 -1.240 1.00 9.73 C ATOM 0 H TRP A 102 6.552 -8.502 -4.126 1.00 6.86 H new ATOM 0 HA TRP A 102 5.824 -8.723 -1.303 1.00 6.96 H new ATOM 0 HB2 TRP A 102 5.040 -10.183 -3.370 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.568 -11.006 -3.132 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.291 -9.950 0.200 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.164 -11.916 1.447 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.917 -13.209 -3.721 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.251 -14.495 0.800 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 3.900 -15.417 -3.326 1.00 9.95 H new ATOM 0 HH2 TRP A 102 3.079 -16.050 -1.095 1.00 9.73 H new ATOM 213 N SER A 103 7.968 -9.431 -0.281 1.00 7.36 N ATOM 214 CA SER A 103 9.261 -9.677 0.348 1.00 8.04 C ATOM 215 C SER A 103 9.481 -11.171 0.566 1.00 8.76 C ATOM 216 O SER A 103 10.328 -11.575 1.362 1.00 9.24 O ATOM 217 CB SER A 103 9.349 -8.936 1.684 1.00 7.63 C ATOM 218 OG SER A 103 8.622 -7.721 1.642 1.00 7.51 O ATOM 0 H SER A 103 7.196 -9.309 0.375 1.00 7.36 H new ATOM 0 HA SER A 103 10.040 -9.306 -0.318 1.00 8.04 H new ATOM 0 HB2 SER A 103 8.959 -9.569 2.481 1.00 7.63 H new ATOM 0 HB3 SER A 103 10.393 -8.731 1.922 1.00 7.63 H new ATOM 0 HG SER A 103 8.693 -7.267 2.508 1.00 7.51 H new ATOM 224 N GLU A 104 8.710 -11.986 -0.148 1.00 8.96 N ATOM 225 CA GLU A 104 8.816 -13.436 -0.036 1.00 9.78 C ATOM 226 C GLU A 104 9.280 -14.054 -1.352 1.00 10.72 C ATOM 227 O GLU A 104 10.122 -14.952 -1.363 1.00 11.50 O ATOM 228 CB GLU A 104 7.469 -14.034 0.377 1.00 9.65 C ATOM 229 CG GLU A 104 7.316 -14.211 1.879 1.00 9.77 C ATOM 230 CD GLU A 104 7.364 -12.896 2.632 1.00 10.55 C ATOM 231 OE1 GLU A 104 6.525 -12.017 2.345 1.00 10.87 O ATOM 232 OE2 GLU A 104 8.242 -12.746 3.507 1.00 10.99 O ATOM 0 H GLU A 104 8.004 -11.666 -0.811 1.00 8.96 H new ATOM 0 HA GLU A 104 9.558 -13.663 0.729 1.00 9.78 H new ATOM 0 HB2 GLU A 104 6.668 -13.391 0.012 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.347 -15.002 -0.109 1.00 9.65 H new ATOM 0 HG2 GLU A 104 6.369 -14.710 2.087 1.00 9.77 H new ATOM 0 HG3 GLU A 104 8.108 -14.864 2.246 1.00 9.77 H new ATOM 239 N ASP A 105 8.725 -13.567 -2.458 1.00 10.68 N ATOM 240 CA ASP A 105 9.082 -14.073 -3.779 1.00 11.61 C ATOM 241 C ASP A 105 9.807 -13.004 -4.594 1.00 11.51 C ATOM 242 O ASP A 105 10.547 -13.316 -5.525 1.00 12.31 O ATOM 243 CB ASP A 105 7.830 -14.537 -4.527 1.00 12.02 C ATOM 244 CG ASP A 105 7.746 -16.047 -4.638 1.00 12.58 C ATOM 245 OD1 ASP A 105 8.809 -16.694 -4.750 1.00 12.80 O ATOM 246 OD2 ASP A 105 6.619 -16.584 -4.610 1.00 12.93 O ATOM 0 H ASP A 105 8.027 -12.823 -2.466 1.00 10.68 H new ATOM 0 HA ASP A 105 9.753 -14.922 -3.646 1.00 11.61 H new ATOM 0 HB2 ASP A 105 6.944 -14.164 -4.013 1.00 12.02 H new ATOM 0 HB3 ASP A 105 7.825 -14.102 -5.526 1.00 12.02 H new ATOM 251 N GLY A 106 9.588 -11.743 -4.231 1.00 10.59 N ATOM 252 CA GLY A 106 10.227 -10.645 -4.935 1.00 10.51 C ATOM 253 C GLY A 106 9.554 -10.329 -6.256 1.00 10.58 C ATOM 254 O GLY A 106 10.224 -10.176 -7.279 1.00 11.27 O ATOM 0 H GLY A 106 8.980 -11.462 -3.462 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.214 -9.757 -4.303 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.273 -10.893 -5.115 1.00 10.51 H new ATOM 258 N CYS A 107 8.229 -10.231 -6.237 1.00 9.96 N ATOM 259 CA CYS A 107 7.465 -9.930 -7.444 1.00 10.08 C ATOM 260 C CYS A 107 6.293 -9.005 -7.128 1.00 9.03 C ATOM 261 O CYS A 107 5.864 -8.900 -5.979 1.00 8.22 O ATOM 262 CB CYS A 107 6.952 -11.224 -8.081 1.00 10.82 C ATOM 263 SG CYS A 107 7.042 -11.243 -9.887 1.00 12.07 S ATOM 0 H CYS A 107 7.661 -10.356 -5.399 1.00 9.96 H new ATOM 0 HA CYS A 107 8.125 -9.423 -8.148 1.00 10.08 H new ATOM 0 HB2 CYS A 107 7.529 -12.062 -7.690 1.00 10.82 H new ATOM 0 HB3 CYS A 107 5.917 -11.380 -7.778 1.00 10.82 H new ATOM 0 HG CYS A 107 6.589 -12.377 -10.332 1.00 12.07 H new ATOM 269 N ILE A 108 5.778 -8.337 -8.157 1.00 9.09 N ATOM 270 CA ILE A 108 4.655 -7.422 -7.988 1.00 8.18 C ATOM 271 C ILE A 108 3.335 -8.182 -7.914 1.00 8.20 C ATOM 272 O ILE A 108 3.070 -9.066 -8.729 1.00 9.05 O ATOM 273 CB ILE A 108 4.580 -6.398 -9.139 1.00 8.31 C ATOM 274 CG1 ILE A 108 5.950 -5.758 -9.372 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.537 -5.334 -8.831 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.052 -5.009 -10.684 1.00 9.51 C ATOM 0 H ILE A 108 6.120 -8.413 -9.115 1.00 9.09 H new ATOM 0 HA ILE A 108 4.821 -6.890 -7.051 1.00 8.18 H new ATOM 0 HB ILE A 108 4.284 -6.917 -10.051 1.00 8.31 H new ATOM 0 HG12 ILE A 108 6.165 -5.071 -8.553 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.714 -6.535 -9.346 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.495 -4.618 -9.652 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.562 -5.805 -8.710 1.00 7.33 H new ATOM 0 HG23 ILE A 108 3.807 -4.816 -7.911 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.050 -4.582 -10.782 1.00 9.51 H new ATOM 0 HD12 ILE A 108 5.868 -5.696 -11.510 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.311 -4.210 -10.705 1.00 9.51 H new ATOM 288 N TYR A 109 2.511 -7.829 -6.934 1.00 7.40 N ATOM 289 CA TYR A 109 1.216 -8.476 -6.751 1.00 7.58 C ATOM 290 C TYR A 109 0.146 -7.453 -6.371 1.00 6.75 C ATOM 291 O TYR A 109 0.454 -6.407 -5.797 1.00 5.79 O ATOM 292 CB TYR A 109 1.311 -9.555 -5.671 1.00 7.78 C ATOM 293 CG TYR A 109 2.051 -10.796 -6.116 1.00 8.74 C ATOM 294 CD1 TYR A 109 1.421 -11.764 -6.888 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.379 -11.000 -5.764 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.095 -12.901 -7.297 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.059 -12.133 -6.168 1.00 9.98 C ATOM 298 CZ TYR A 109 3.414 -13.080 -6.933 1.00 10.60 C ATOM 299 OH TYR A 109 4.088 -14.209 -7.338 1.00 11.54 O ATOM 0 H TYR A 109 2.716 -7.098 -6.253 1.00 7.40 H new ATOM 0 HA TYR A 109 0.932 -8.940 -7.696 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.811 -9.138 -4.797 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.305 -9.835 -5.360 1.00 7.78 H new ATOM 0 HD1 TYR A 109 0.388 -11.627 -7.174 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.889 -10.260 -5.164 1.00 9.05 H new ATOM 0 HE1 TYR A 109 1.592 -13.644 -7.898 1.00 10.35 H new ATOM 0 HE2 TYR A 109 5.092 -12.276 -5.885 1.00 9.98 H new ATOM 0 HH TYR A 109 5.007 -14.181 -6.999 1.00 11.54 H new ATOM 309 N PRO A 110 -1.132 -7.740 -6.688 1.00 7.22 N ATOM 310 CA PRO A 110 -2.244 -6.836 -6.374 1.00 6.71 C ATOM 311 C PRO A 110 -2.342 -6.538 -4.882 1.00 6.03 C ATOM 312 O PRO A 110 -2.313 -7.449 -4.055 1.00 6.34 O ATOM 313 CB PRO A 110 -3.484 -7.603 -6.843 1.00 7.77 C ATOM 314 CG PRO A 110 -2.978 -8.600 -7.827 1.00 8.66 C ATOM 315 CD PRO A 110 -1.592 -8.962 -7.374 1.00 8.42 C ATOM 0 HA PRO A 110 -2.122 -5.866 -6.856 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -3.983 -8.093 -6.007 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.212 -6.933 -7.300 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.621 -9.480 -7.857 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.963 -8.182 -8.833 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.599 -9.822 -6.704 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.948 -9.219 -8.215 1.00 8.42 H new ATOM 323 N ALA A 111 -2.461 -5.259 -4.547 1.00 5.22 N ATOM 324 CA ALA A 111 -2.566 -4.840 -3.155 1.00 4.71 C ATOM 325 C ALA A 111 -3.645 -3.776 -2.986 1.00 4.65 C ATOM 326 O ALA A 111 -4.085 -3.168 -3.960 1.00 4.72 O ATOM 327 CB ALA A 111 -1.227 -4.321 -2.657 1.00 3.76 C ATOM 0 H ALA A 111 -2.487 -4.494 -5.221 1.00 5.22 H new ATOM 0 HA ALA A 111 -2.849 -5.708 -2.559 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.321 -4.012 -1.616 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.479 -5.110 -2.735 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -0.919 -3.468 -3.262 1.00 3.76 H new ATOM 333 N THR A 112 -4.069 -3.558 -1.744 1.00 4.78 N ATOM 334 CA THR A 112 -5.097 -2.565 -1.455 1.00 5.14 C ATOM 335 C THR A 112 -4.751 -1.755 -0.210 1.00 4.91 C ATOM 336 O THR A 112 -4.421 -2.315 0.835 1.00 5.15 O ATOM 337 CB THR A 112 -6.475 -3.224 -1.259 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.643 -4.297 -2.194 1.00 6.81 O ATOM 339 CG2 THR A 112 -7.589 -2.205 -1.444 1.00 6.83 C ATOM 0 H THR A 112 -3.718 -4.054 -0.925 1.00 4.78 H new ATOM 0 HA THR A 112 -5.140 -1.898 -2.316 1.00 5.14 H new ATOM 0 HB THR A 112 -6.526 -3.617 -0.244 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.521 -4.712 -2.062 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.554 -2.691 -1.301 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.475 -1.404 -0.714 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.538 -1.789 -2.450 1.00 6.83 H new ATOM 347 N ILE A 113 -4.829 -0.434 -0.332 1.00 4.70 N ATOM 348 CA ILE A 113 -4.523 0.460 0.779 1.00 4.93 C ATOM 349 C ILE A 113 -5.605 0.396 1.856 1.00 6.00 C ATOM 350 O ILE A 113 -6.737 0.827 1.639 1.00 6.70 O ATOM 351 CB ILE A 113 -4.367 1.916 0.298 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.075 2.073 -0.507 1.00 4.08 C ATOM 353 CG2 ILE A 113 -4.380 2.877 1.478 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.299 2.172 -2.000 1.00 4.34 C ATOM 0 H ILE A 113 -5.102 0.042 -1.192 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.578 0.125 1.206 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.211 2.158 -0.347 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.551 2.966 -0.167 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -2.423 1.224 -0.301 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -4.269 3.899 1.116 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -5.325 2.783 2.014 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.556 2.638 2.151 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.339 2.281 -2.505 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -3.795 1.268 -2.354 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.924 3.038 -2.217 1.00 4.34 H new ATOM 366 N ALA A 114 -5.244 -0.147 3.013 1.00 6.19 N ATOM 367 CA ALA A 114 -6.180 -0.275 4.124 1.00 7.25 C ATOM 368 C ALA A 114 -6.068 0.900 5.092 1.00 7.83 C ATOM 369 O ALA A 114 -7.077 1.406 5.581 1.00 8.77 O ATOM 370 CB ALA A 114 -5.953 -1.587 4.858 1.00 7.35 C ATOM 0 H ALA A 114 -4.309 -0.506 3.206 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.188 -0.269 3.710 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.659 -1.668 5.685 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.102 -2.419 4.170 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -4.935 -1.615 5.246 1.00 7.35 H new ATOM 376 N SER A 115 -4.840 1.329 5.372 1.00 7.42 N ATOM 377 CA SER A 115 -4.613 2.441 6.291 1.00 8.19 C ATOM 378 C SER A 115 -3.394 3.258 5.874 1.00 7.84 C ATOM 379 O SER A 115 -2.415 2.712 5.368 1.00 6.96 O ATOM 380 CB SER A 115 -4.429 1.920 7.718 1.00 8.69 C ATOM 381 OG SER A 115 -3.061 1.677 7.998 1.00 9.20 O ATOM 0 H SER A 115 -3.990 0.926 4.978 1.00 7.42 H new ATOM 0 HA SER A 115 -5.488 3.090 6.257 1.00 8.19 H new ATOM 0 HB2 SER A 115 -4.826 2.646 8.428 1.00 8.69 H new ATOM 0 HB3 SER A 115 -5.000 1.001 7.850 1.00 8.69 H new ATOM 0 HG SER A 115 -2.969 1.346 8.916 1.00 9.20 H new ATOM 387 N ILE A 116 -3.463 4.567 6.090 1.00 8.68 N ATOM 388 CA ILE A 116 -2.364 5.461 5.738 1.00 8.72 C ATOM 389 C ILE A 116 -2.050 6.424 6.878 1.00 9.82 C ATOM 390 O ILE A 116 -2.947 6.878 7.588 1.00 10.64 O ATOM 391 CB ILE A 116 -2.684 6.286 4.475 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.941 5.364 3.282 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.548 7.252 4.166 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.359 6.108 2.032 1.00 7.79 C ATOM 0 H ILE A 116 -4.268 5.034 6.507 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.500 4.826 5.544 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.588 6.865 4.664 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.037 4.792 3.072 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.718 4.646 3.547 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.791 7.826 3.272 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -1.410 7.932 5.007 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.629 6.691 3.998 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -3.526 5.396 1.223 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.280 6.658 2.227 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -2.573 6.806 1.744 1.00 7.79 H new ATOM 406 N ASP A 117 -0.769 6.745 7.033 1.00 9.92 N ATOM 407 CA ASP A 117 -0.330 7.670 8.070 1.00 11.01 C ATOM 408 C ASP A 117 0.568 8.746 7.467 1.00 11.42 C ATOM 409 O ASP A 117 1.484 8.442 6.700 1.00 11.09 O ATOM 410 CB ASP A 117 0.414 6.922 9.180 1.00 11.04 C ATOM 411 CG ASP A 117 -0.509 6.478 10.299 1.00 11.32 C ATOM 412 OD1 ASP A 117 -1.419 7.252 10.659 1.00 11.44 O ATOM 413 OD2 ASP A 117 -0.319 5.355 10.814 1.00 11.56 O ATOM 0 H ASP A 117 -0.016 6.377 6.452 1.00 9.92 H new ATOM 0 HA ASP A 117 -1.209 8.145 8.504 1.00 11.01 H new ATOM 0 HB2 ASP A 117 0.912 6.050 8.756 1.00 11.04 H new ATOM 0 HB3 ASP A 117 1.193 7.566 9.589 1.00 11.04 H new ATOM 418 N PHE A 118 0.297 9.999 7.813 1.00 12.23 N ATOM 419 CA PHE A 118 1.076 11.119 7.298 1.00 12.79 C ATOM 420 C PHE A 118 2.109 11.585 8.319 1.00 13.61 C ATOM 421 O PHE A 118 2.713 12.645 8.168 1.00 14.24 O ATOM 422 CB PHE A 118 0.153 12.279 6.922 1.00 13.45 C ATOM 423 CG PHE A 118 -0.796 11.955 5.802 1.00 12.78 C ATOM 424 CD1 PHE A 118 -1.928 11.188 6.034 1.00 12.56 C ATOM 425 CD2 PHE A 118 -0.558 12.419 4.518 1.00 12.45 C ATOM 426 CE1 PHE A 118 -2.803 10.890 5.007 1.00 12.01 C ATOM 427 CE2 PHE A 118 -1.430 12.124 3.487 1.00 11.89 C ATOM 428 CZ PHE A 118 -2.553 11.358 3.730 1.00 11.67 C ATOM 0 H PHE A 118 -0.456 10.265 8.448 1.00 12.23 H new ATOM 0 HA PHE A 118 1.604 10.780 6.407 1.00 12.79 H new ATOM 0 HB2 PHE A 118 -0.422 12.574 7.800 1.00 13.45 H new ATOM 0 HB3 PHE A 118 0.761 13.137 6.635 1.00 13.45 H new ATOM 0 HD1 PHE A 118 -2.128 10.819 7.029 1.00 12.56 H new ATOM 0 HD2 PHE A 118 0.319 13.018 4.321 1.00 12.45 H new ATOM 0 HE1 PHE A 118 -3.681 10.292 5.201 1.00 12.01 H new ATOM 0 HE2 PHE A 118 -1.233 12.493 2.491 1.00 11.89 H new ATOM 0 HZ PHE A 118 -3.234 11.125 2.925 1.00 11.67 H new ATOM 438 N LYS A 119 2.307 10.780 9.359 1.00 13.66 N ATOM 439 CA LYS A 119 3.269 11.106 10.404 1.00 14.45 C ATOM 440 C LYS A 119 4.656 10.588 10.040 1.00 14.19 C ATOM 441 O LYS A 119 5.614 11.356 9.952 1.00 14.83 O ATOM 442 CB LYS A 119 2.821 10.512 11.741 1.00 14.52 C ATOM 443 CG LYS A 119 2.262 11.542 12.709 1.00 15.42 C ATOM 444 CD LYS A 119 0.914 12.070 12.243 1.00 16.01 C ATOM 445 CE LYS A 119 -0.223 11.528 13.094 1.00 16.53 C ATOM 446 NZ LYS A 119 -0.487 10.089 12.816 1.00 16.87 N ATOM 0 H LYS A 119 1.814 9.898 9.499 1.00 13.66 H new ATOM 0 HA LYS A 119 3.318 12.191 10.497 1.00 14.45 H new ATOM 0 HB2 LYS A 119 2.063 9.752 11.555 1.00 14.52 H new ATOM 0 HB3 LYS A 119 3.668 10.010 12.208 1.00 14.52 H new ATOM 0 HG2 LYS A 119 2.157 11.095 13.697 1.00 15.42 H new ATOM 0 HG3 LYS A 119 2.964 12.370 12.807 1.00 15.42 H new ATOM 0 HD2 LYS A 119 0.914 13.159 12.286 1.00 16.01 H new ATOM 0 HD3 LYS A 119 0.754 11.792 11.201 1.00 16.01 H new ATOM 0 HE2 LYS A 119 0.020 11.655 14.149 1.00 16.53 H new ATOM 0 HE3 LYS A 119 -1.127 12.106 12.903 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 -1.269 9.757 13.416 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 -0.744 9.970 11.815 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 0.367 9.533 13.022 1.00 16.87 H new ATOM 460 N ARG A 120 4.753 9.280 9.825 1.00 13.31 N ATOM 461 CA ARG A 120 6.019 8.653 9.464 1.00 13.08 C ATOM 462 C ARG A 120 5.969 8.123 8.032 1.00 12.15 C ATOM 463 O ARG A 120 6.731 7.228 7.665 1.00 11.68 O ATOM 464 CB ARG A 120 6.346 7.516 10.434 1.00 12.82 C ATOM 465 CG ARG A 120 5.159 6.614 10.740 1.00 13.39 C ATOM 466 CD ARG A 120 4.484 7.004 12.044 1.00 13.47 C ATOM 467 NE ARG A 120 5.039 6.285 13.185 1.00 14.06 N ATOM 468 CZ ARG A 120 4.324 5.496 13.982 1.00 14.44 C ATOM 469 NH1 ARG A 120 3.026 5.325 13.760 1.00 14.31 N ATOM 470 NH2 ARG A 120 4.904 4.877 15.001 1.00 15.09 N ATOM 0 H ARG A 120 3.968 8.633 9.895 1.00 13.31 H new ATOM 0 HA ARG A 120 6.804 9.407 9.528 1.00 13.08 H new ATOM 0 HB2 ARG A 120 7.151 6.913 10.015 1.00 12.82 H new ATOM 0 HB3 ARG A 120 6.718 7.941 11.366 1.00 12.82 H new ATOM 0 HG2 ARG A 120 4.438 6.671 9.925 1.00 13.39 H new ATOM 0 HG3 ARG A 120 5.493 5.578 10.798 1.00 13.39 H new ATOM 0 HD2 ARG A 120 4.595 8.077 12.203 1.00 13.47 H new ATOM 0 HD3 ARG A 120 3.415 6.802 11.973 1.00 13.47 H new ATOM 0 HE ARG A 120 6.034 6.394 13.383 1.00 14.06 H new ATOM 0 HH11 ARG A 120 2.576 5.799 12.977 1.00 14.31 H new ATOM 0 HH12 ARG A 120 2.479 4.720 14.372 1.00 14.31 H new ATOM 0 HH21 ARG A 120 5.901 5.005 15.175 1.00 15.09 H new ATOM 0 HH22 ARG A 120 4.353 4.272 15.611 1.00 15.09 H new ATOM 484 N GLU A 121 5.067 8.691 7.234 1.00 11.98 N ATOM 485 CA GLU A 121 4.905 8.291 5.837 1.00 11.15 C ATOM 486 C GLU A 121 4.838 6.772 5.705 1.00 10.00 C ATOM 487 O GLU A 121 5.746 6.146 5.157 1.00 9.65 O ATOM 488 CB GLU A 121 6.054 8.839 4.991 1.00 11.64 C ATOM 489 CG GLU A 121 6.302 10.326 5.188 1.00 12.24 C ATOM 490 CD GLU A 121 7.354 10.607 6.243 1.00 13.04 C ATOM 491 OE1 GLU A 121 8.388 9.907 6.251 1.00 13.22 O ATOM 492 OE2 GLU A 121 7.146 11.527 7.060 1.00 13.61 O ATOM 0 H GLU A 121 4.434 9.433 7.533 1.00 11.98 H new ATOM 0 HA GLU A 121 3.965 8.708 5.475 1.00 11.15 H new ATOM 0 HB2 GLU A 121 6.965 8.292 5.234 1.00 11.64 H new ATOM 0 HB3 GLU A 121 5.840 8.651 3.939 1.00 11.64 H new ATOM 0 HG2 GLU A 121 6.615 10.767 4.242 1.00 12.24 H new ATOM 0 HG3 GLU A 121 5.369 10.812 5.473 1.00 12.24 H new ATOM 499 N THR A 122 3.760 6.182 6.210 1.00 9.51 N ATOM 500 CA THR A 122 3.579 4.737 6.146 1.00 8.44 C ATOM 501 C THR A 122 2.177 4.375 5.673 1.00 7.82 C ATOM 502 O THR A 122 1.281 5.219 5.655 1.00 8.35 O ATOM 503 CB THR A 122 3.833 4.077 7.515 1.00 8.64 C ATOM 504 OG1 THR A 122 3.108 4.775 8.535 1.00 9.57 O ATOM 505 CG2 THR A 122 5.316 4.081 7.850 1.00 8.95 C ATOM 0 H THR A 122 2.998 6.683 6.668 1.00 9.51 H new ATOM 0 HA THR A 122 4.308 4.361 5.428 1.00 8.44 H new ATOM 0 HB THR A 122 3.490 3.044 7.466 1.00 8.64 H new ATOM 0 HG1 THR A 122 3.272 4.350 9.402 1.00 9.57 H new ATOM 0 HG21 THR A 122 5.471 3.610 8.821 1.00 8.95 H new ATOM 0 HG22 THR A 122 5.863 3.527 7.087 1.00 8.95 H new ATOM 0 HG23 THR A 122 5.679 5.108 7.883 1.00 8.95 H new ATOM 513 N CYS A 123 1.991 3.115 5.291 1.00 6.82 N ATOM 514 CA CYS A 123 0.696 2.642 4.815 1.00 6.32 C ATOM 515 C CYS A 123 0.649 1.118 4.771 1.00 5.48 C ATOM 516 O CYS A 123 1.588 0.473 4.305 1.00 5.04 O ATOM 517 CB CYS A 123 0.406 3.212 3.425 1.00 5.96 C ATOM 518 SG CYS A 123 1.692 2.864 2.201 1.00 5.05 S ATOM 0 H CYS A 123 2.721 2.403 5.302 1.00 6.82 H new ATOM 0 HA CYS A 123 -0.067 2.987 5.513 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.540 2.806 3.068 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.279 4.292 3.506 1.00 5.96 H new ATOM 0 HG CYS A 123 2.738 2.374 2.798 1.00 5.05 H new ATOM 524 N VAL A 124 -0.453 0.551 5.252 1.00 5.51 N ATOM 525 CA VAL A 124 -0.628 -0.897 5.261 1.00 5.03 C ATOM 526 C VAL A 124 -1.379 -1.358 4.017 1.00 4.47 C ATOM 527 O VAL A 124 -2.408 -0.787 3.656 1.00 4.86 O ATOM 528 CB VAL A 124 -1.394 -1.362 6.519 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.752 -2.838 6.422 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.575 -1.091 7.772 1.00 6.50 C ATOM 0 H VAL A 124 -1.239 1.073 5.641 1.00 5.51 H new ATOM 0 HA VAL A 124 0.367 -1.343 5.270 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.321 -0.793 6.582 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.291 -3.141 7.320 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.382 -3.003 5.548 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.840 -3.428 6.329 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.130 -1.425 8.649 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.370 -1.631 7.713 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.377 -0.022 7.853 1.00 6.50 H new ATOM 540 N VAL A 125 -0.856 -2.389 3.360 1.00 3.79 N ATOM 541 CA VAL A 125 -1.479 -2.918 2.152 1.00 3.55 C ATOM 542 C VAL A 125 -1.937 -4.358 2.346 1.00 4.11 C ATOM 543 O VAL A 125 -1.322 -5.125 3.086 1.00 4.19 O ATOM 544 CB VAL A 125 -0.517 -2.856 0.948 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.019 -1.437 0.731 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.651 -3.814 1.141 1.00 2.61 C ATOM 0 H VAL A 125 -0.004 -2.874 3.643 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.347 -2.291 1.950 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.065 -3.164 0.058 1.00 2.74 H new ATOM 0 HG11 VAL A 125 0.658 -1.416 -0.123 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -0.867 -0.779 0.539 1.00 2.53 H new ATOM 0 HG13 VAL A 125 0.509 -1.097 1.622 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.317 -3.754 0.280 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.199 -3.543 2.043 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.274 -4.832 1.238 1.00 2.61 H new ATOM 556 N VAL A 126 -3.018 -4.721 1.662 1.00 4.74 N ATOM 557 CA VAL A 126 -3.558 -6.072 1.743 1.00 5.60 C ATOM 558 C VAL A 126 -3.287 -6.833 0.453 1.00 5.78 C ATOM 559 O VAL A 126 -3.472 -6.299 -0.641 1.00 5.73 O ATOM 560 CB VAL A 126 -5.076 -6.061 2.008 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.567 -7.460 2.348 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.418 -5.080 3.121 1.00 6.75 C ATOM 0 H VAL A 126 -3.537 -4.096 1.045 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.060 -6.567 2.577 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.583 -5.733 1.101 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.641 -7.434 2.532 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.358 -8.131 1.515 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -5.054 -7.819 3.241 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.494 -5.086 3.294 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.902 -5.373 4.035 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.103 -4.077 2.832 1.00 6.75 H new ATOM 572 N TYR A 127 -2.845 -8.077 0.583 1.00 6.19 N ATOM 573 CA TYR A 127 -2.548 -8.903 -0.579 1.00 6.72 C ATOM 574 C TYR A 127 -3.804 -9.599 -1.090 1.00 7.79 C ATOM 575 O TYR A 127 -4.185 -10.659 -0.595 1.00 8.59 O ATOM 576 CB TYR A 127 -1.474 -9.934 -0.235 1.00 7.03 C ATOM 577 CG TYR A 127 -0.069 -9.440 -0.480 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.616 -8.724 0.494 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.574 -9.683 -1.687 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.900 -8.269 0.273 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.858 -9.231 -1.915 1.00 5.99 C ATOM 582 CZ TYR A 127 2.517 -8.524 -0.933 1.00 5.42 C ATOM 583 OH TYR A 127 3.796 -8.070 -1.154 1.00 5.31 O ATOM 0 H TYR A 127 -2.685 -8.535 1.480 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.174 -8.254 -1.371 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -1.574 -10.217 0.813 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.643 -10.835 -0.825 1.00 7.03 H new ATOM 0 HD1 TYR A 127 0.136 -8.520 1.440 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.060 -10.235 -2.460 1.00 6.38 H new ATOM 0 HE1 TYR A 127 2.419 -7.716 1.042 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.344 -9.431 -2.859 1.00 5.99 H new ATOM 0 HH TYR A 127 3.913 -7.198 -0.722 1.00 5.31 H new ATOM 593 N THR A 128 -4.442 -8.985 -2.081 1.00 7.86 N ATOM 594 CA THR A 128 -5.660 -9.529 -2.669 1.00 8.91 C ATOM 595 C THR A 128 -5.456 -10.960 -3.154 1.00 9.91 C ATOM 596 O THR A 128 -4.645 -11.215 -4.044 1.00 10.27 O ATOM 597 CB THR A 128 -6.140 -8.668 -3.851 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.440 -7.417 -3.864 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.638 -8.414 -3.766 1.00 9.50 C ATOM 0 H THR A 128 -4.133 -8.106 -2.495 1.00 7.86 H new ATOM 0 HA THR A 128 -6.416 -9.522 -1.884 1.00 8.91 H new ATOM 0 HB THR A 128 -5.932 -9.211 -4.773 1.00 8.84 H new ATOM 0 HG1 THR A 128 -6.064 -6.691 -3.653 1.00 7.77 H new ATOM 0 HG21 THR A 128 -7.952 -7.803 -4.613 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.170 -9.365 -3.787 1.00 9.50 H new ATOM 0 HG23 THR A 128 -7.866 -7.891 -2.837 1.00 9.50 H new ATOM 607 N GLY A 129 -6.206 -11.888 -2.567 1.00 10.49 N ATOM 608 CA GLY A 129 -6.102 -13.283 -2.953 1.00 11.51 C ATOM 609 C GLY A 129 -4.993 -14.015 -2.224 1.00 11.53 C ATOM 610 O GLY A 129 -4.575 -15.095 -2.644 1.00 12.41 O ATOM 0 H GLY A 129 -6.885 -11.698 -1.830 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.051 -13.781 -2.755 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -5.927 -13.346 -4.027 1.00 11.51 H new ATOM 614 N TYR A 130 -4.510 -13.431 -1.133 1.00 10.62 N ATOM 615 CA TYR A 130 -3.440 -14.041 -0.350 1.00 10.62 C ATOM 616 C TYR A 130 -3.761 -14.004 1.141 1.00 10.60 C ATOM 617 O TYR A 130 -3.227 -14.794 1.920 1.00 11.27 O ATOM 618 CB TYR A 130 -2.116 -13.321 -0.613 1.00 9.73 C ATOM 619 CG TYR A 130 -1.358 -13.856 -1.807 1.00 10.03 C ATOM 620 CD1 TYR A 130 -0.691 -15.072 -1.740 1.00 10.64 C ATOM 621 CD2 TYR A 130 -1.310 -13.144 -3.000 1.00 9.83 C ATOM 622 CE1 TYR A 130 0.004 -15.564 -2.828 1.00 11.09 C ATOM 623 CE2 TYR A 130 -0.617 -13.630 -4.092 1.00 10.27 C ATOM 624 CZ TYR A 130 0.039 -14.840 -4.000 1.00 10.92 C ATOM 625 OH TYR A 130 0.731 -15.326 -5.084 1.00 11.49 O ATOM 0 H TYR A 130 -4.841 -12.537 -0.770 1.00 10.62 H new ATOM 0 HA TYR A 130 -3.351 -15.083 -0.657 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.314 -12.260 -0.766 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.486 -13.404 0.273 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -0.716 -15.642 -0.823 1.00 10.64 H new ATOM 0 HD2 TYR A 130 -1.822 -12.196 -3.074 1.00 9.83 H new ATOM 0 HE1 TYR A 130 0.518 -16.512 -2.760 1.00 11.09 H new ATOM 0 HE2 TYR A 130 -0.589 -13.066 -5.012 1.00 10.27 H new ATOM 0 HH TYR A 130 1.068 -14.578 -5.619 1.00 11.49 H new ATOM 635 N GLY A 131 -4.637 -13.083 1.532 1.00 9.97 N ATOM 636 CA GLY A 131 -5.016 -12.960 2.929 1.00 10.07 C ATOM 637 C GLY A 131 -3.834 -12.649 3.827 1.00 9.30 C ATOM 638 O GLY A 131 -3.699 -13.224 4.908 1.00 9.47 O ATOM 0 H GLY A 131 -5.092 -12.419 0.906 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -5.763 -12.173 3.031 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.484 -13.888 3.258 1.00 10.07 H new ATOM 642 N ASN A 132 -2.980 -11.734 3.380 1.00 8.58 N ATOM 643 CA ASN A 132 -1.803 -11.340 4.148 1.00 7.89 C ATOM 644 C ASN A 132 -1.639 -9.822 4.128 1.00 6.95 C ATOM 645 O ASN A 132 -1.929 -9.173 3.125 1.00 6.64 O ATOM 646 CB ASN A 132 -0.551 -12.016 3.579 1.00 7.85 C ATOM 647 CG ASN A 132 0.722 -11.253 3.894 1.00 7.69 C ATOM 648 OD1 ASN A 132 1.089 -10.315 3.185 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.405 -11.653 4.960 1.00 7.49 N ATOM 0 H ASN A 132 -3.081 -11.250 2.488 1.00 8.58 H new ATOM 0 HA ASN A 132 -1.937 -11.661 5.181 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -0.473 -13.026 3.982 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.654 -12.111 2.498 1.00 7.85 H new ATOM 0 HD21 ASN A 132 2.270 -11.178 5.219 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.065 -12.435 5.520 1.00 7.49 H new ATOM 656 N ARG A 133 -1.177 -9.259 5.242 1.00 6.59 N ATOM 657 CA ARG A 133 -0.983 -7.818 5.343 1.00 5.87 C ATOM 658 C ARG A 133 0.480 -7.473 5.602 1.00 5.31 C ATOM 659 O ARG A 133 1.151 -8.130 6.400 1.00 5.65 O ATOM 660 CB ARG A 133 -1.856 -7.247 6.465 1.00 6.37 C ATOM 661 CG ARG A 133 -2.966 -6.336 5.971 1.00 6.55 C ATOM 662 CD ARG A 133 -3.768 -5.764 7.130 1.00 7.46 C ATOM 663 NE ARG A 133 -5.115 -5.370 6.724 1.00 7.96 N ATOM 664 CZ ARG A 133 -5.763 -4.328 7.235 1.00 8.74 C ATOM 665 NH1 ARG A 133 -5.188 -3.571 8.161 1.00 9.12 N ATOM 666 NH2 ARG A 133 -6.990 -4.043 6.821 1.00 9.35 N ATOM 0 H ARG A 133 -0.931 -9.779 6.085 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.276 -7.373 4.392 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -2.297 -8.071 7.026 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.224 -6.692 7.158 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -2.538 -5.522 5.385 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.628 -6.892 5.307 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -3.832 -6.505 7.927 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -3.246 -4.900 7.540 1.00 7.46 H new ATOM 0 HE ARG A 133 -5.584 -5.925 6.009 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -4.245 -3.788 8.483 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -5.689 -2.772 8.550 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -7.436 -4.623 6.111 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -7.488 -3.244 7.213 1.00 9.35 H new ATOM 680 N GLU A 134 0.966 -6.436 4.928 1.00 4.60 N ATOM 681 CA GLU A 134 2.348 -5.994 5.086 1.00 4.37 C ATOM 682 C GLU A 134 2.435 -4.470 5.077 1.00 4.10 C ATOM 683 O GLU A 134 1.761 -3.807 4.288 1.00 3.69 O ATOM 684 CB GLU A 134 3.227 -6.577 3.972 1.00 4.32 C ATOM 685 CG GLU A 134 3.071 -5.869 2.633 1.00 4.69 C ATOM 686 CD GLU A 134 4.164 -6.233 1.645 1.00 5.28 C ATOM 687 OE1 GLU A 134 5.142 -6.892 2.056 1.00 5.81 O ATOM 688 OE2 GLU A 134 4.038 -5.861 0.459 1.00 5.49 O ATOM 0 H GLU A 134 0.422 -5.884 4.265 1.00 4.60 H new ATOM 0 HA GLU A 134 2.711 -6.355 6.048 1.00 4.37 H new ATOM 0 HB2 GLU A 134 4.271 -6.525 4.281 1.00 4.32 H new ATOM 0 HB3 GLU A 134 2.985 -7.632 3.845 1.00 4.32 H new ATOM 0 HG2 GLU A 134 2.101 -6.122 2.204 1.00 4.69 H new ATOM 0 HG3 GLU A 134 3.077 -4.791 2.794 1.00 4.69 H new ATOM 695 N GLU A 135 3.262 -3.919 5.959 1.00 4.58 N ATOM 696 CA GLU A 135 3.428 -2.474 6.046 1.00 4.87 C ATOM 697 C GLU A 135 4.487 -1.989 5.062 1.00 4.79 C ATOM 698 O GLU A 135 5.622 -2.465 5.068 1.00 5.09 O ATOM 699 CB GLU A 135 3.812 -2.065 7.469 1.00 5.81 C ATOM 700 CG GLU A 135 4.026 -0.569 7.636 1.00 6.48 C ATOM 701 CD GLU A 135 4.197 -0.158 9.087 1.00 7.38 C ATOM 702 OE1 GLU A 135 4.410 -1.050 9.935 1.00 7.86 O ATOM 703 OE2 GLU A 135 4.119 1.054 9.375 1.00 7.78 O ATOM 0 H GLU A 135 3.826 -4.450 6.622 1.00 4.58 H new ATOM 0 HA GLU A 135 2.476 -2.009 5.788 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.030 -2.390 8.155 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.725 -2.588 7.755 1.00 5.81 H new ATOM 0 HG2 GLU A 135 4.908 -0.267 7.071 1.00 6.48 H new ATOM 0 HG3 GLU A 135 3.177 -0.035 7.210 1.00 6.48 H new ATOM 710 N GLN A 136 4.105 -1.035 4.219 1.00 4.64 N ATOM 711 CA GLN A 136 5.018 -0.478 3.229 1.00 4.84 C ATOM 712 C GLN A 136 4.991 1.046 3.271 1.00 5.56 C ATOM 713 O GLN A 136 4.187 1.642 3.988 1.00 5.86 O ATOM 714 CB GLN A 136 4.647 -0.968 1.829 1.00 4.04 C ATOM 715 CG GLN A 136 4.957 -2.438 1.596 1.00 4.34 C ATOM 716 CD GLN A 136 6.443 -2.734 1.638 1.00 4.37 C ATOM 717 OE1 GLN A 136 6.908 -3.524 2.462 1.00 4.53 O ATOM 718 NE2 GLN A 136 7.197 -2.102 0.749 1.00 4.63 N ATOM 0 H GLN A 136 3.168 -0.632 4.202 1.00 4.64 H new ATOM 0 HA GLN A 136 6.027 -0.816 3.467 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.583 -0.799 1.664 1.00 4.04 H new ATOM 0 HB3 GLN A 136 5.182 -0.371 1.091 1.00 4.04 H new ATOM 0 HG2 GLN A 136 4.449 -3.037 2.352 1.00 4.34 H new ATOM 0 HG3 GLN A 136 4.557 -2.741 0.628 1.00 4.34 H new ATOM 0 HE21 GLN A 136 6.770 -1.456 0.085 1.00 4.63 H new ATOM 0 HE22 GLN A 136 8.204 -2.262 0.729 1.00 4.63 H new ATOM 727 N ASN A 137 5.875 1.672 2.500 1.00 6.06 N ATOM 728 CA ASN A 137 5.949 3.127 2.452 1.00 6.90 C ATOM 729 C ASN A 137 5.339 3.659 1.160 1.00 6.54 C ATOM 730 O ASN A 137 5.337 2.976 0.136 1.00 5.95 O ATOM 731 CB ASN A 137 7.402 3.588 2.576 1.00 7.87 C ATOM 732 CG ASN A 137 8.025 3.188 3.900 1.00 8.40 C ATOM 733 OD1 ASN A 137 7.326 2.807 4.840 1.00 8.92 O ATOM 734 ND2 ASN A 137 9.348 3.277 3.982 1.00 8.47 N ATOM 0 H ASN A 137 6.549 1.195 1.901 1.00 6.06 H new ATOM 0 HA ASN A 137 5.378 3.525 3.291 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.986 3.163 1.760 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.447 4.672 2.469 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.823 3.025 4.848 1.00 8.47 H new ATOM 0 HD22 ASN A 137 9.888 3.598 3.178 1.00 8.47 H new ATOM 741 N LEU A 138 4.812 4.879 1.218 1.00 7.04 N ATOM 742 CA LEU A 138 4.188 5.506 0.056 1.00 6.90 C ATOM 743 C LEU A 138 5.160 5.595 -1.117 1.00 7.16 C ATOM 744 O LEU A 138 4.757 5.510 -2.278 1.00 6.67 O ATOM 745 CB LEU A 138 3.684 6.905 0.418 1.00 7.77 C ATOM 746 CG LEU A 138 2.922 6.998 1.741 1.00 7.75 C ATOM 747 CD1 LEU A 138 3.074 8.384 2.349 1.00 8.95 C ATOM 748 CD2 LEU A 138 1.452 6.665 1.532 1.00 7.32 C ATOM 0 H LEU A 138 4.805 5.455 2.060 1.00 7.04 H new ATOM 0 HA LEU A 138 3.346 4.884 -0.246 1.00 6.90 H new ATOM 0 HB2 LEU A 138 4.537 7.582 0.460 1.00 7.77 H new ATOM 0 HB3 LEU A 138 3.035 7.259 -0.383 1.00 7.77 H new ATOM 0 HG LEU A 138 3.345 6.271 2.434 1.00 7.75 H new ATOM 0 HD11 LEU A 138 2.525 8.431 3.290 1.00 8.95 H new ATOM 0 HD12 LEU A 138 4.129 8.586 2.534 1.00 8.95 H new ATOM 0 HD13 LEU A 138 2.677 9.129 1.660 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.924 6.736 2.483 1.00 7.32 H new ATOM 0 HD22 LEU A 138 1.017 7.369 0.822 1.00 7.32 H new ATOM 0 HD23 LEU A 138 1.361 5.652 1.141 1.00 7.32 H new ATOM 760 N SER A 139 6.441 5.776 -0.810 1.00 8.07 N ATOM 761 CA SER A 139 7.469 5.886 -1.841 1.00 8.59 C ATOM 762 C SER A 139 7.677 4.557 -2.563 1.00 8.04 C ATOM 763 O SER A 139 8.344 4.502 -3.598 1.00 8.40 O ATOM 764 CB SER A 139 8.788 6.354 -1.223 1.00 9.76 C ATOM 765 OG SER A 139 9.312 5.379 -0.339 1.00 10.26 O ATOM 0 H SER A 139 6.793 5.850 0.145 1.00 8.07 H new ATOM 0 HA SER A 139 7.131 6.620 -2.572 1.00 8.59 H new ATOM 0 HB2 SER A 139 9.511 6.559 -2.013 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.630 7.289 -0.685 1.00 9.76 H new ATOM 0 HG SER A 139 10.156 5.702 0.041 1.00 10.26 H new ATOM 771 N ASP A 140 7.111 3.489 -2.013 1.00 7.28 N ATOM 772 CA ASP A 140 7.243 2.162 -2.606 1.00 6.90 C ATOM 773 C ASP A 140 5.913 1.665 -3.164 1.00 5.82 C ATOM 774 O ASP A 140 5.764 0.481 -3.469 1.00 5.53 O ATOM 775 CB ASP A 140 7.773 1.171 -1.570 1.00 6.97 C ATOM 776 CG ASP A 140 9.258 1.339 -1.313 1.00 7.80 C ATOM 777 OD1 ASP A 140 9.627 2.249 -0.542 1.00 8.12 O ATOM 778 OD2 ASP A 140 10.052 0.561 -1.883 1.00 8.30 O ATOM 0 H ASP A 140 6.556 3.515 -1.157 1.00 7.28 H new ATOM 0 HA ASP A 140 7.951 2.237 -3.432 1.00 6.90 H new ATOM 0 HB2 ASP A 140 7.229 1.302 -0.635 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.579 0.154 -1.912 1.00 6.97 H new ATOM 783 N LEU A 141 4.949 2.570 -3.294 1.00 5.41 N ATOM 784 CA LEU A 141 3.635 2.212 -3.817 1.00 4.46 C ATOM 785 C LEU A 141 3.590 2.366 -5.334 1.00 4.72 C ATOM 786 O LEU A 141 4.016 3.384 -5.878 1.00 5.47 O ATOM 787 CB LEU A 141 2.549 3.074 -3.170 1.00 4.23 C ATOM 788 CG LEU A 141 2.343 2.847 -1.668 1.00 3.96 C ATOM 789 CD1 LEU A 141 1.205 3.714 -1.152 1.00 4.31 C ATOM 790 CD2 LEU A 141 2.066 1.377 -1.379 1.00 3.01 C ATOM 0 H LEU A 141 5.052 3.554 -3.045 1.00 5.41 H new ATOM 0 HA LEU A 141 3.449 1.166 -3.572 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.796 4.123 -3.332 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.605 2.886 -3.682 1.00 4.23 H new ATOM 0 HG LEU A 141 3.259 3.131 -1.149 1.00 3.96 H new ATOM 0 HD11 LEU A 141 1.071 3.541 -0.084 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.441 4.764 -1.323 1.00 4.31 H new ATOM 0 HD13 LEU A 141 0.285 3.459 -1.679 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.923 1.238 -0.307 1.00 3.01 H new ATOM 0 HD22 LEU A 141 1.166 1.065 -1.909 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.911 0.775 -1.714 1.00 3.01 H new ATOM 802 N LEU A 142 3.073 1.343 -6.013 1.00 4.30 N ATOM 803 CA LEU A 142 2.974 1.363 -7.467 1.00 4.79 C ATOM 804 C LEU A 142 1.525 1.529 -7.915 1.00 4.37 C ATOM 805 O LEU A 142 0.596 1.173 -7.191 1.00 3.72 O ATOM 806 CB LEU A 142 3.555 0.076 -8.058 1.00 5.32 C ATOM 807 CG LEU A 142 4.793 -0.466 -7.344 1.00 5.88 C ATOM 808 CD1 LEU A 142 5.007 -1.932 -7.688 1.00 6.01 C ATOM 809 CD2 LEU A 142 6.019 0.355 -7.709 1.00 6.92 C ATOM 0 H LEU A 142 2.717 0.492 -5.578 1.00 4.30 H new ATOM 0 HA LEU A 142 3.548 2.215 -7.830 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.782 -0.692 -8.045 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.807 0.256 -9.103 1.00 5.32 H new ATOM 0 HG LEU A 142 4.635 -0.386 -6.268 1.00 5.88 H new ATOM 0 HD11 LEU A 142 5.893 -2.302 -7.171 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.137 -2.510 -7.376 1.00 6.01 H new ATOM 0 HD13 LEU A 142 5.145 -2.037 -8.764 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.891 -0.044 -7.192 1.00 6.92 H new ATOM 0 HD22 LEU A 142 6.182 0.307 -8.786 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.864 1.392 -7.411 1.00 6.92 H new ATOM 821 N SER A 143 1.344 2.069 -9.116 1.00 4.93 N ATOM 822 CA SER A 143 0.011 2.281 -9.667 1.00 4.89 C ATOM 823 C SER A 143 -0.605 0.959 -10.124 1.00 5.19 C ATOM 824 O SER A 143 0.112 0.013 -10.451 1.00 5.64 O ATOM 825 CB SER A 143 0.074 3.260 -10.841 1.00 5.50 C ATOM 826 OG SER A 143 1.399 3.392 -11.326 1.00 6.07 O ATOM 0 H SER A 143 2.105 2.368 -9.726 1.00 4.93 H new ATOM 0 HA SER A 143 -0.618 2.703 -8.883 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.577 2.913 -11.643 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.300 4.234 -10.526 1.00 5.50 H new ATOM 0 HG SER A 143 1.411 4.022 -12.077 1.00 6.07 H new ATOM 832 N PRO A 144 -1.949 0.873 -10.151 1.00 5.25 N ATOM 833 CA PRO A 144 -2.656 -0.343 -10.571 1.00 5.91 C ATOM 834 C PRO A 144 -2.424 -0.676 -12.041 1.00 6.73 C ATOM 835 O PRO A 144 -1.757 0.070 -12.760 1.00 7.04 O ATOM 836 CB PRO A 144 -4.131 -0.008 -10.327 1.00 6.05 C ATOM 837 CG PRO A 144 -4.193 1.481 -10.345 1.00 5.71 C ATOM 838 CD PRO A 144 -2.885 1.951 -9.777 1.00 5.04 C ATOM 0 HA PRO A 144 -2.308 -1.219 -10.023 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.767 -0.439 -11.100 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.474 -0.406 -9.372 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.336 1.854 -11.359 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.031 1.845 -9.750 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.584 2.910 -10.199 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -2.939 2.081 -8.696 1.00 5.04 H new ATOM 846 N ILE A 145 -2.982 -1.801 -12.478 1.00 7.30 N ATOM 847 CA ILE A 145 -2.848 -2.248 -13.862 1.00 8.19 C ATOM 848 C ILE A 145 -1.382 -2.372 -14.272 1.00 8.35 C ATOM 849 O ILE A 145 -0.735 -3.382 -13.991 1.00 8.81 O ATOM 850 CB ILE A 145 -3.574 -1.297 -14.837 1.00 8.86 C ATOM 851 CG1 ILE A 145 -4.928 -0.867 -14.265 1.00 9.14 C ATOM 852 CG2 ILE A 145 -3.752 -1.967 -16.193 1.00 9.47 C ATOM 853 CD1 ILE A 145 -5.875 -2.019 -13.999 1.00 9.94 C ATOM 0 H ILE A 145 -3.535 -2.424 -11.890 1.00 7.30 H new ATOM 0 HA ILE A 145 -3.313 -3.232 -13.917 1.00 8.19 H new ATOM 0 HB ILE A 145 -2.963 -0.404 -14.969 1.00 8.86 H new ATOM 0 HG12 ILE A 145 -4.762 -0.323 -13.335 1.00 9.14 H new ATOM 0 HG13 ILE A 145 -5.401 -0.173 -14.960 1.00 9.14 H new ATOM 0 HG21 ILE A 145 -4.265 -1.285 -16.871 1.00 9.47 H new ATOM 0 HG22 ILE A 145 -2.775 -2.221 -16.604 1.00 9.47 H new ATOM 0 HG23 ILE A 145 -4.343 -2.875 -16.075 1.00 9.47 H new ATOM 0 HD11 ILE A 145 -6.812 -1.634 -13.595 1.00 9.94 H new ATOM 0 HD12 ILE A 145 -6.072 -2.550 -14.930 1.00 9.94 H new ATOM 0 HD13 ILE A 145 -5.424 -2.703 -13.280 1.00 9.94 H new TER 865 ILE A 145