USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 413 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 18 ASN : amide:sc= -2.51 K(o=-2.9,f=-2!) USER MOD Set 1.2: A 24 THR OG1 : rot -150:sc= -0.414 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 66:sc= 0.0326 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0705) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.899 X(o=-0.9,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.572 (180deg=-1.47) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0536) USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 0.157 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.912 K(o=-0.91,f=-3.4!) USER MOD Single : A 41 ASN : amide:sc= 0.208 K(o=0.21,f=0.77) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 47 THR OG1 : rot -54:sc= 0.963 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.03 K(o=-1,f=-0.022) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.169 -0.240 -1.398 1.00 70.32 N ATOM 12 CA LYS A 2 5.609 -0.443 -1.286 1.00 14.40 C ATOM 13 C LYS A 2 5.997 -0.807 0.143 1.00 1.34 C ATOM 14 O LYS A 2 5.336 -0.401 1.099 1.00 15.23 O ATOM 15 CB LYS A 2 6.357 0.818 -1.724 1.00 2.32 C ATOM 16 CG LYS A 2 7.864 0.721 -1.555 1.00 74.45 C ATOM 17 CD LYS A 2 8.598 1.402 -2.698 1.00 73.22 C ATOM 18 CE LYS A 2 8.651 2.910 -2.506 1.00 23.30 C ATOM 19 NZ LYS A 2 8.397 3.640 -3.778 1.00 52.43 N ATOM 0 HA LYS A 2 5.887 -1.269 -1.941 1.00 14.40 H new ATOM 0 HB2 LYS A 2 6.129 1.020 -2.771 1.00 2.32 H new ATOM 0 HB3 LYS A 2 5.989 1.667 -1.148 1.00 2.32 H new ATOM 0 HG2 LYS A 2 8.155 1.179 -0.610 1.00 74.45 H new ATOM 0 HG3 LYS A 2 8.159 -0.327 -1.505 1.00 74.45 H new ATOM 0 HD2 LYS A 2 9.612 1.007 -2.768 1.00 73.22 H new ATOM 0 HD3 LYS A 2 8.101 1.171 -3.640 1.00 73.22 H new ATOM 0 HE2 LYS A 2 7.912 3.208 -1.763 1.00 23.30 H new ATOM 0 HE3 LYS A 2 9.628 3.192 -2.114 1.00 23.30 H new ATOM 0 HZ1 LYS A 2 8.442 4.665 -3.605 1.00 52.43 H new ATOM 0 HZ2 LYS A 2 9.117 3.376 -4.480 1.00 52.43 H new ATOM 0 HZ3 LYS A 2 7.454 3.391 -4.139 1.00 52.43 H new ATOM 33 N TYR A 3 7.074 -1.572 0.282 1.00 35.41 N ATOM 34 CA TYR A 3 7.549 -1.992 1.595 1.00 3.41 C ATOM 35 C TYR A 3 8.923 -1.397 1.892 1.00 33.32 C ATOM 36 O TYR A 3 9.879 -1.607 1.145 1.00 31.20 O ATOM 37 CB TYR A 3 7.614 -3.518 1.674 1.00 12.20 C ATOM 38 CG TYR A 3 6.289 -4.195 1.402 1.00 4.32 C ATOM 39 CD1 TYR A 3 6.135 -5.054 0.321 1.00 24.43 C ATOM 40 CD2 TYR A 3 5.192 -3.974 2.225 1.00 31.10 C ATOM 41 CE1 TYR A 3 4.927 -5.675 0.068 1.00 1.45 C ATOM 42 CE2 TYR A 3 3.980 -4.591 1.981 1.00 64.13 C ATOM 43 CZ TYR A 3 3.853 -5.440 0.901 1.00 32.22 C ATOM 44 OH TYR A 3 2.647 -6.056 0.654 1.00 42.44 O ATOM 0 H TYR A 3 7.635 -1.914 -0.499 1.00 35.41 H new ATOM 0 HA TYR A 3 6.845 -1.627 2.342 1.00 3.41 H new ATOM 0 HB2 TYR A 3 8.351 -3.880 0.957 1.00 12.20 H new ATOM 0 HB3 TYR A 3 7.964 -3.808 2.665 1.00 12.20 H new ATOM 0 HD1 TYR A 3 6.974 -5.240 -0.333 1.00 24.43 H new ATOM 0 HD2 TYR A 3 5.288 -3.308 3.070 1.00 31.10 H new ATOM 0 HE1 TYR A 3 4.824 -6.340 -0.777 1.00 1.45 H new ATOM 0 HE2 TYR A 3 3.137 -4.410 2.632 1.00 64.13 H new ATOM 0 HH TYR A 3 2.741 -7.023 0.783 1.00 42.44 H new ATOM 54 N THR A 4 9.013 -0.654 2.990 1.00 5.45 N ATOM 55 CA THR A 4 10.268 -0.028 3.388 1.00 1.31 C ATOM 56 C THR A 4 10.978 -0.850 4.457 1.00 2.04 C ATOM 57 O THR A 4 10.374 -1.246 5.453 1.00 12.22 O ATOM 58 CB THR A 4 10.040 1.399 3.921 1.00 12.33 C ATOM 59 OG1 THR A 4 9.269 2.156 2.982 1.00 75.25 O ATOM 60 CG2 THR A 4 11.366 2.100 4.177 1.00 34.25 C ATOM 0 H THR A 4 8.232 -0.471 3.620 1.00 5.45 H new ATOM 0 HA THR A 4 10.893 0.021 2.496 1.00 1.31 H new ATOM 0 HB THR A 4 9.497 1.328 4.863 1.00 12.33 H new ATOM 0 HG1 THR A 4 9.127 3.061 3.330 1.00 75.25 H new ATOM 0 HG21 THR A 4 11.179 3.106 4.553 1.00 34.25 H new ATOM 0 HG22 THR A 4 11.938 1.538 4.915 1.00 34.25 H new ATOM 0 HG23 THR A 4 11.932 2.159 3.247 1.00 34.25 H new ATOM 68 N GLY A 5 12.266 -1.103 4.245 1.00 61.42 N ATOM 69 CA GLY A 5 13.037 -1.877 5.200 1.00 64.11 C ATOM 70 C GLY A 5 14.527 -1.623 5.083 1.00 22.25 C ATOM 71 O GLY A 5 14.951 -0.611 4.524 1.00 33.33 O ATOM 0 H GLY A 5 12.789 -0.786 3.429 1.00 61.42 H new ATOM 0 HA2 GLY A 5 12.708 -1.634 6.210 1.00 64.11 H new ATOM 0 HA3 GLY A 5 12.839 -2.938 5.047 1.00 64.11 H new ATOM 75 N LYS A 6 15.326 -2.543 5.614 1.00 32.01 N ATOM 76 CA LYS A 6 16.778 -2.415 5.568 1.00 34.01 C ATOM 77 C LYS A 6 17.433 -3.760 5.272 1.00 23.15 C ATOM 78 O LYS A 6 16.875 -4.815 5.577 1.00 2.31 O ATOM 79 CB LYS A 6 17.303 -1.860 6.894 1.00 44.23 C ATOM 80 CG LYS A 6 16.458 -0.731 7.458 1.00 21.24 C ATOM 81 CD LYS A 6 15.373 -1.256 8.383 1.00 75.32 C ATOM 82 CE LYS A 6 15.275 -0.428 9.655 1.00 23.41 C ATOM 83 NZ LYS A 6 14.872 -1.256 10.826 1.00 53.33 N ATOM 0 H LYS A 6 14.992 -3.386 6.081 1.00 32.01 H new ATOM 0 HA LYS A 6 17.032 -1.723 4.765 1.00 34.01 H new ATOM 0 HB2 LYS A 6 17.348 -2.668 7.624 1.00 44.23 H new ATOM 0 HB3 LYS A 6 18.323 -1.503 6.750 1.00 44.23 H new ATOM 0 HG2 LYS A 6 17.096 -0.035 8.002 1.00 21.24 H new ATOM 0 HG3 LYS A 6 16.002 -0.173 6.640 1.00 21.24 H new ATOM 0 HD2 LYS A 6 14.414 -1.243 7.865 1.00 75.32 H new ATOM 0 HD3 LYS A 6 15.583 -2.294 8.639 1.00 75.32 H new ATOM 0 HE2 LYS A 6 16.237 0.043 9.857 1.00 23.41 H new ATOM 0 HE3 LYS A 6 14.551 0.374 9.511 1.00 23.41 H new ATOM 0 HZ1 LYS A 6 14.816 -0.655 11.673 1.00 53.33 H new ATOM 0 HZ2 LYS A 6 13.942 -1.685 10.644 1.00 53.33 H new ATOM 0 HZ3 LYS A 6 15.576 -2.006 10.979 1.00 53.33 H new ATOM 97 N CYS A 7 18.621 -3.716 4.679 1.00 62.34 N ATOM 98 CA CYS A 7 19.354 -4.931 4.343 1.00 50.04 C ATOM 99 C CYS A 7 20.596 -5.077 5.218 1.00 53.24 C ATOM 100 O CYS A 7 20.766 -4.354 6.200 1.00 52.21 O ATOM 101 CB CYS A 7 19.756 -4.917 2.866 1.00 34.43 C ATOM 102 SG CYS A 7 18.880 -3.670 1.869 1.00 74.02 S ATOM 0 H CYS A 7 19.097 -2.852 4.421 1.00 62.34 H new ATOM 0 HA CYS A 7 18.699 -5.783 4.527 1.00 50.04 H new ATOM 0 HB2 CYS A 7 20.828 -4.736 2.794 1.00 34.43 H new ATOM 0 HB3 CYS A 7 19.570 -5.903 2.440 1.00 34.43 H new ATOM 107 N THR A 8 21.462 -6.017 4.854 1.00 61.40 N ATOM 108 CA THR A 8 22.687 -6.259 5.605 1.00 24.40 C ATOM 109 C THR A 8 23.860 -6.534 4.670 1.00 31.04 C ATOM 110 O THR A 8 23.789 -7.411 3.809 1.00 53.42 O ATOM 111 CB THR A 8 22.528 -7.447 6.573 1.00 72.13 C ATOM 112 OG1 THR A 8 21.140 -7.685 6.832 1.00 53.21 O ATOM 113 CG2 THR A 8 23.255 -7.180 7.882 1.00 52.20 C ATOM 0 H THR A 8 21.338 -6.623 4.043 1.00 61.40 H new ATOM 0 HA THR A 8 22.888 -5.355 6.181 1.00 24.40 H new ATOM 0 HB THR A 8 22.967 -8.329 6.106 1.00 72.13 H new ATOM 0 HG1 THR A 8 21.047 -8.443 7.447 1.00 53.21 H new ATOM 0 HG21 THR A 8 23.128 -8.033 8.549 1.00 52.20 H new ATOM 0 HG22 THR A 8 24.316 -7.028 7.684 1.00 52.20 H new ATOM 0 HG23 THR A 8 22.842 -6.287 8.352 1.00 52.20 H new ATOM 121 N LYS A 9 24.940 -5.780 4.846 1.00 13.02 N ATOM 122 CA LYS A 9 26.130 -5.943 4.020 1.00 0.10 C ATOM 123 C LYS A 9 26.732 -7.333 4.201 1.00 10.30 C ATOM 124 O LYS A 9 27.552 -7.774 3.396 1.00 51.01 O ATOM 125 CB LYS A 9 27.169 -4.876 4.371 1.00 43.33 C ATOM 126 CG LYS A 9 27.829 -5.090 5.722 1.00 15.43 C ATOM 127 CD LYS A 9 29.165 -5.799 5.585 1.00 62.02 C ATOM 128 CE LYS A 9 29.914 -5.838 6.908 1.00 20.41 C ATOM 129 NZ LYS A 9 30.448 -4.500 7.284 1.00 55.24 N ATOM 0 H LYS A 9 25.015 -5.050 5.554 1.00 13.02 H new ATOM 0 HA LYS A 9 25.837 -5.827 2.977 1.00 0.10 H new ATOM 0 HB2 LYS A 9 27.938 -4.862 3.599 1.00 43.33 H new ATOM 0 HB3 LYS A 9 26.690 -3.897 4.361 1.00 43.33 H new ATOM 0 HG2 LYS A 9 27.976 -4.128 6.213 1.00 15.43 H new ATOM 0 HG3 LYS A 9 27.169 -5.676 6.361 1.00 15.43 H new ATOM 0 HD2 LYS A 9 29.003 -6.816 5.227 1.00 62.02 H new ATOM 0 HD3 LYS A 9 29.773 -5.291 4.837 1.00 62.02 H new ATOM 0 HE2 LYS A 9 29.247 -6.196 7.692 1.00 20.41 H new ATOM 0 HE3 LYS A 9 30.736 -6.550 6.839 1.00 20.41 H new ATOM 0 HZ1 LYS A 9 31.090 -4.598 8.096 1.00 55.24 H new ATOM 0 HZ2 LYS A 9 30.967 -4.095 6.479 1.00 55.24 H new ATOM 0 HZ3 LYS A 9 29.660 -3.871 7.540 1.00 55.24 H new ATOM 143 N SER A 10 26.319 -8.018 5.262 1.00 35.12 N ATOM 144 CA SER A 10 26.819 -9.357 5.550 1.00 60.24 C ATOM 145 C SER A 10 26.747 -10.242 4.309 1.00 70.11 C ATOM 146 O SER A 10 27.769 -10.705 3.801 1.00 12.51 O ATOM 147 CB SER A 10 26.018 -9.990 6.689 1.00 73.53 C ATOM 148 OG SER A 10 26.338 -11.363 6.836 1.00 5.24 O ATOM 0 H SER A 10 25.639 -7.668 5.937 1.00 35.12 H new ATOM 0 HA SER A 10 27.862 -9.271 5.854 1.00 60.24 H new ATOM 0 HB2 SER A 10 26.226 -9.463 7.620 1.00 73.53 H new ATOM 0 HB3 SER A 10 24.951 -9.881 6.492 1.00 73.53 H new ATOM 0 HG SER A 10 25.814 -11.744 7.571 1.00 5.24 H new ATOM 154 N LYS A 11 25.531 -10.474 3.825 1.00 4.20 N ATOM 155 CA LYS A 11 25.323 -11.302 2.643 1.00 12.21 C ATOM 156 C LYS A 11 24.292 -10.671 1.712 1.00 65.01 C ATOM 157 O LYS A 11 23.818 -11.309 0.773 1.00 45.22 O ATOM 158 CB LYS A 11 24.866 -12.704 3.052 1.00 71.04 C ATOM 159 CG LYS A 11 25.864 -13.795 2.702 1.00 14.34 C ATOM 160 CD LYS A 11 25.376 -15.162 3.152 1.00 12.43 C ATOM 161 CE LYS A 11 26.015 -16.277 2.339 1.00 11.13 C ATOM 162 NZ LYS A 11 25.000 -17.069 1.590 1.00 2.23 N ATOM 0 H LYS A 11 24.675 -10.100 4.234 1.00 4.20 H new ATOM 0 HA LYS A 11 26.271 -11.376 2.110 1.00 12.21 H new ATOM 0 HB2 LYS A 11 24.686 -12.719 4.127 1.00 71.04 H new ATOM 0 HB3 LYS A 11 23.915 -12.923 2.566 1.00 71.04 H new ATOM 0 HG2 LYS A 11 26.032 -13.804 1.625 1.00 14.34 H new ATOM 0 HG3 LYS A 11 26.823 -13.577 3.172 1.00 14.34 H new ATOM 0 HD2 LYS A 11 25.606 -15.302 4.208 1.00 12.43 H new ATOM 0 HD3 LYS A 11 24.292 -15.213 3.053 1.00 12.43 H new ATOM 0 HE2 LYS A 11 26.732 -15.850 1.638 1.00 11.13 H new ATOM 0 HE3 LYS A 11 26.573 -16.937 3.003 1.00 11.13 H new ATOM 0 HZ1 LYS A 11 25.475 -17.819 1.048 1.00 2.23 H new ATOM 0 HZ2 LYS A 11 24.330 -17.497 2.260 1.00 2.23 H new ATOM 0 HZ3 LYS A 11 24.485 -16.444 0.937 1.00 2.23 H new ATOM 176 N ASN A 12 23.952 -9.414 1.978 1.00 34.33 N ATOM 177 CA ASN A 12 22.978 -8.697 1.163 1.00 31.20 C ATOM 178 C ASN A 12 21.610 -9.370 1.232 1.00 1.41 C ATOM 179 O ASN A 12 21.415 -10.458 0.693 1.00 64.33 O ATOM 180 CB ASN A 12 23.451 -8.627 -0.290 1.00 64.22 C ATOM 181 CG ASN A 12 22.303 -8.713 -1.277 1.00 41.41 C ATOM 182 OD1 ASN A 12 22.046 -9.767 -1.858 1.00 22.32 O ATOM 183 ND2 ASN A 12 21.606 -7.599 -1.472 1.00 3.04 N ATOM 0 H ASN A 12 24.336 -8.871 2.751 1.00 34.33 H new ATOM 0 HA ASN A 12 22.886 -7.685 1.558 1.00 31.20 H new ATOM 0 HB2 ASN A 12 23.993 -7.695 -0.448 1.00 64.22 H new ATOM 0 HB3 ASN A 12 24.152 -9.440 -0.481 1.00 64.22 H new ATOM 0 HD21 ASN A 12 20.823 -7.595 -2.125 1.00 3.04 H new ATOM 0 HD22 ASN A 12 21.854 -6.747 -0.969 1.00 3.04 H new ATOM 190 N GLU A 13 20.667 -8.712 1.899 1.00 34.32 N ATOM 191 CA GLU A 13 19.317 -9.247 2.039 1.00 62.24 C ATOM 192 C GLU A 13 18.373 -8.198 2.619 1.00 43.10 C ATOM 193 O GLU A 13 18.251 -8.062 3.837 1.00 41.13 O ATOM 194 CB GLU A 13 19.327 -10.490 2.931 1.00 11.23 C ATOM 195 CG GLU A 13 18.985 -11.773 2.192 1.00 10.34 C ATOM 196 CD GLU A 13 19.178 -13.009 3.049 1.00 3.33 C ATOM 197 OE1 GLU A 13 19.214 -14.122 2.484 1.00 13.03 O ATOM 198 OE2 GLU A 13 19.294 -12.863 4.284 1.00 32.21 O ATOM 0 H GLU A 13 20.812 -7.809 2.350 1.00 34.32 H new ATOM 0 HA GLU A 13 18.959 -9.524 1.047 1.00 62.24 H new ATOM 0 HB2 GLU A 13 20.313 -10.594 3.384 1.00 11.23 H new ATOM 0 HB3 GLU A 13 18.615 -10.349 3.745 1.00 11.23 H new ATOM 0 HG2 GLU A 13 17.950 -11.728 1.854 1.00 10.34 H new ATOM 0 HG3 GLU A 13 19.608 -11.852 1.301 1.00 10.34 H new ATOM 205 N CYS A 14 17.708 -7.458 1.739 1.00 40.44 N ATOM 206 CA CYS A 14 16.776 -6.420 2.161 1.00 13.52 C ATOM 207 C CYS A 14 15.581 -7.026 2.891 1.00 11.14 C ATOM 208 O CYS A 14 14.891 -7.896 2.361 1.00 72.44 O ATOM 209 CB CYS A 14 16.294 -5.615 0.952 1.00 11.25 C ATOM 210 SG CYS A 14 15.275 -4.167 1.381 1.00 3.45 S ATOM 0 H CYS A 14 17.797 -7.558 0.728 1.00 40.44 H new ATOM 0 HA CYS A 14 17.300 -5.754 2.847 1.00 13.52 H new ATOM 0 HB2 CYS A 14 17.161 -5.280 0.383 1.00 11.25 H new ATOM 0 HB3 CYS A 14 15.718 -6.270 0.299 1.00 11.25 H new ATOM 215 N LYS A 15 15.342 -6.560 4.112 1.00 1.45 N ATOM 216 CA LYS A 15 14.231 -7.053 4.917 1.00 75.33 C ATOM 217 C LYS A 15 12.943 -6.308 4.581 1.00 11.40 C ATOM 218 O LYS A 15 12.960 -5.103 4.329 1.00 13.50 O ATOM 219 CB LYS A 15 14.546 -6.903 6.407 1.00 51.14 C ATOM 220 CG LYS A 15 13.311 -6.893 7.292 1.00 45.14 C ATOM 221 CD LYS A 15 13.527 -7.705 8.558 1.00 55.31 C ATOM 222 CE LYS A 15 14.197 -6.877 9.644 1.00 51.14 C ATOM 223 NZ LYS A 15 15.460 -6.252 9.164 1.00 44.43 N ATOM 0 H LYS A 15 15.904 -5.840 4.566 1.00 1.45 H new ATOM 0 HA LYS A 15 14.090 -8.109 4.687 1.00 75.33 H new ATOM 0 HB2 LYS A 15 15.198 -7.720 6.716 1.00 51.14 H new ATOM 0 HB3 LYS A 15 15.101 -5.977 6.561 1.00 51.14 H new ATOM 0 HG2 LYS A 15 13.059 -5.866 7.556 1.00 45.14 H new ATOM 0 HG3 LYS A 15 12.463 -7.297 6.739 1.00 45.14 H new ATOM 0 HD2 LYS A 15 12.569 -8.076 8.921 1.00 55.31 H new ATOM 0 HD3 LYS A 15 14.142 -8.576 8.332 1.00 55.31 H new ATOM 0 HE2 LYS A 15 13.512 -6.099 9.982 1.00 51.14 H new ATOM 0 HE3 LYS A 15 14.410 -7.511 10.505 1.00 51.14 H new ATOM 0 HZ1 LYS A 15 16.043 -5.976 9.980 1.00 44.43 H new ATOM 0 HZ2 LYS A 15 15.984 -6.934 8.579 1.00 44.43 H new ATOM 0 HZ3 LYS A 15 15.237 -5.409 8.597 1.00 44.43 H new ATOM 237 N TYR A 16 11.829 -7.031 4.581 1.00 52.01 N ATOM 238 CA TYR A 16 10.532 -6.438 4.275 1.00 4.34 C ATOM 239 C TYR A 16 9.405 -7.435 4.522 1.00 31.44 C ATOM 240 O TYR A 16 9.625 -8.517 5.067 1.00 31.41 O ATOM 241 CB TYR A 16 10.496 -5.960 2.823 1.00 43.32 C ATOM 242 CG TYR A 16 10.205 -7.062 1.830 1.00 41.03 C ATOM 243 CD1 TYR A 16 9.028 -7.065 1.091 1.00 31.34 C ATOM 244 CD2 TYR A 16 11.106 -8.100 1.630 1.00 22.53 C ATOM 245 CE1 TYR A 16 8.757 -8.071 0.183 1.00 1.43 C ATOM 246 CE2 TYR A 16 10.844 -9.109 0.723 1.00 24.14 C ATOM 247 CZ TYR A 16 9.669 -9.090 0.003 1.00 54.15 C ATOM 248 OH TYR A 16 9.403 -10.094 -0.901 1.00 5.52 O ATOM 0 H TYR A 16 11.798 -8.029 4.789 1.00 52.01 H new ATOM 0 HA TYR A 16 10.387 -5.583 4.936 1.00 4.34 H new ATOM 0 HB2 TYR A 16 9.738 -5.183 2.724 1.00 43.32 H new ATOM 0 HB3 TYR A 16 11.454 -5.503 2.576 1.00 43.32 H new ATOM 0 HD1 TYR A 16 8.313 -6.267 1.229 1.00 31.34 H new ATOM 0 HD2 TYR A 16 12.027 -8.119 2.193 1.00 22.53 H new ATOM 0 HE1 TYR A 16 7.837 -8.059 -0.382 1.00 1.43 H new ATOM 0 HE2 TYR A 16 11.556 -9.908 0.579 1.00 24.14 H new ATOM 0 HH TYR A 16 10.146 -10.733 -0.908 1.00 5.52 H new ATOM 258 N LYS A 17 8.195 -7.064 4.117 1.00 45.50 N ATOM 259 CA LYS A 17 7.031 -7.924 4.291 1.00 64.10 C ATOM 260 C LYS A 17 6.363 -8.213 2.951 1.00 51.33 C ATOM 261 O LYS A 17 6.316 -7.353 2.072 1.00 11.22 O ATOM 262 CB LYS A 17 6.027 -7.272 5.244 1.00 42.11 C ATOM 263 CG LYS A 17 5.641 -5.858 4.846 1.00 1.21 C ATOM 264 CD LYS A 17 5.873 -4.876 5.982 1.00 13.04 C ATOM 265 CE LYS A 17 4.750 -3.853 6.073 1.00 64.41 C ATOM 266 NZ LYS A 17 5.270 -2.480 6.321 1.00 70.02 N ATOM 0 H LYS A 17 7.995 -6.172 3.665 1.00 45.50 H new ATOM 0 HA LYS A 17 7.369 -8.868 4.719 1.00 64.10 H new ATOM 0 HB2 LYS A 17 5.128 -7.887 5.287 1.00 42.11 H new ATOM 0 HB3 LYS A 17 6.450 -7.255 6.248 1.00 42.11 H new ATOM 0 HG2 LYS A 17 6.222 -5.553 3.976 1.00 1.21 H new ATOM 0 HG3 LYS A 17 4.591 -5.835 4.553 1.00 1.21 H new ATOM 0 HD2 LYS A 17 5.949 -5.419 6.924 1.00 13.04 H new ATOM 0 HD3 LYS A 17 6.823 -4.363 5.832 1.00 13.04 H new ATOM 0 HE2 LYS A 17 4.175 -3.862 5.147 1.00 64.41 H new ATOM 0 HE3 LYS A 17 4.067 -4.133 6.875 1.00 64.41 H new ATOM 0 HZ1 LYS A 17 4.475 -1.812 6.377 1.00 70.02 H new ATOM 0 HZ2 LYS A 17 5.798 -2.465 7.217 1.00 70.02 H new ATOM 0 HZ3 LYS A 17 5.902 -2.202 5.543 1.00 70.02 H new ATOM 280 N ASN A 18 5.846 -9.428 2.802 1.00 72.01 N ATOM 281 CA ASN A 18 5.179 -9.829 1.569 1.00 73.15 C ATOM 282 C ASN A 18 3.668 -9.911 1.769 1.00 65.22 C ATOM 283 O ASN A 18 2.899 -9.309 1.020 1.00 0.51 O ATOM 284 CB ASN A 18 5.715 -11.180 1.090 1.00 2.30 C ATOM 285 CG ASN A 18 5.781 -12.204 2.206 1.00 2.14 C ATOM 286 OD1 ASN A 18 4.891 -13.042 2.349 1.00 55.23 O ATOM 287 ND2 ASN A 18 6.840 -12.141 3.005 1.00 1.43 N ATOM 0 H ASN A 18 5.876 -10.152 3.520 1.00 72.01 H new ATOM 0 HA ASN A 18 5.387 -9.074 0.811 1.00 73.15 H new ATOM 0 HB2 ASN A 18 5.077 -11.558 0.291 1.00 2.30 H new ATOM 0 HB3 ASN A 18 6.710 -11.044 0.666 1.00 2.30 H new ATOM 0 HD21 ASN A 18 6.939 -12.804 3.774 1.00 1.43 H new ATOM 0 HD22 ASN A 18 7.554 -11.430 2.850 1.00 1.43 H new ATOM 294 N ASP A 19 3.252 -10.660 2.784 1.00 72.13 N ATOM 295 CA ASP A 19 1.834 -10.820 3.084 1.00 32.12 C ATOM 296 C ASP A 19 1.313 -9.636 3.893 1.00 31.44 C ATOM 297 O ASP A 19 0.226 -9.123 3.631 1.00 41.54 O ATOM 298 CB ASP A 19 1.597 -12.122 3.851 1.00 11.02 C ATOM 299 CG ASP A 19 1.241 -13.277 2.936 1.00 54.33 C ATOM 300 OD1 ASP A 19 0.187 -13.909 3.161 1.00 65.54 O ATOM 301 OD2 ASP A 19 2.014 -13.547 1.994 1.00 65.11 O ATOM 0 H ASP A 19 3.876 -11.166 3.413 1.00 72.13 H new ATOM 0 HA ASP A 19 1.290 -10.859 2.140 1.00 32.12 H new ATOM 0 HB2 ASP A 19 2.493 -12.374 4.418 1.00 11.02 H new ATOM 0 HB3 ASP A 19 0.794 -11.974 4.573 1.00 11.02 H new ATOM 306 N ALA A 20 2.095 -9.210 4.879 1.00 5.12 N ATOM 307 CA ALA A 20 1.714 -8.087 5.726 1.00 13.41 C ATOM 308 C ALA A 20 2.799 -7.780 6.753 1.00 54.42 C ATOM 309 O ALA A 20 3.200 -6.629 6.921 1.00 63.02 O ATOM 310 CB ALA A 20 0.392 -8.376 6.422 1.00 1.13 C ATOM 0 H ALA A 20 2.997 -9.626 5.111 1.00 5.12 H new ATOM 0 HA ALA A 20 1.594 -7.209 5.091 1.00 13.41 H new ATOM 0 HB1 ALA A 20 0.119 -7.529 7.051 1.00 1.13 H new ATOM 0 HB2 ALA A 20 -0.385 -8.538 5.675 1.00 1.13 H new ATOM 0 HB3 ALA A 20 0.493 -9.269 7.039 1.00 1.13 H new ATOM 316 N GLY A 21 3.269 -8.817 7.439 1.00 71.34 N ATOM 317 CA GLY A 21 4.302 -8.637 8.441 1.00 5.22 C ATOM 318 C GLY A 21 5.329 -9.752 8.423 1.00 33.21 C ATOM 319 O GLY A 21 6.171 -9.846 9.316 1.00 2.10 O ATOM 0 H GLY A 21 2.952 -9.779 7.318 1.00 71.34 H new ATOM 0 HA2 GLY A 21 4.803 -7.683 8.274 1.00 5.22 H new ATOM 0 HA3 GLY A 21 3.842 -8.587 9.428 1.00 5.22 H new ATOM 323 N LYS A 22 5.258 -10.602 7.404 1.00 23.44 N ATOM 324 CA LYS A 22 6.188 -11.718 7.273 1.00 73.13 C ATOM 325 C LYS A 22 7.597 -11.219 6.967 1.00 34.54 C ATOM 326 O LYS A 22 7.884 -10.787 5.851 1.00 71.30 O ATOM 327 CB LYS A 22 5.721 -12.669 6.168 1.00 25.44 C ATOM 328 CG LYS A 22 4.863 -13.815 6.675 1.00 34.12 C ATOM 329 CD LYS A 22 5.098 -15.085 5.875 1.00 62.02 C ATOM 330 CE LYS A 22 4.007 -15.300 4.837 1.00 63.11 C ATOM 331 NZ LYS A 22 3.804 -16.745 4.537 1.00 44.54 N ATOM 0 H LYS A 22 4.566 -10.539 6.657 1.00 23.44 H new ATOM 0 HA LYS A 22 6.210 -12.255 8.222 1.00 73.13 H new ATOM 0 HB2 LYS A 22 5.156 -12.103 5.428 1.00 25.44 H new ATOM 0 HB3 LYS A 22 6.594 -13.077 5.659 1.00 25.44 H new ATOM 0 HG2 LYS A 22 5.085 -14.000 7.726 1.00 34.12 H new ATOM 0 HG3 LYS A 22 3.811 -13.536 6.616 1.00 34.12 H new ATOM 0 HD2 LYS A 22 6.067 -15.030 5.379 1.00 62.02 H new ATOM 0 HD3 LYS A 22 5.133 -15.940 6.550 1.00 62.02 H new ATOM 0 HE2 LYS A 22 3.073 -14.869 5.197 1.00 63.11 H new ATOM 0 HE3 LYS A 22 4.269 -14.772 3.920 1.00 63.11 H new ATOM 0 HZ1 LYS A 22 3.053 -16.850 3.826 1.00 44.54 H new ATOM 0 HZ2 LYS A 22 4.688 -17.151 4.169 1.00 44.54 H new ATOM 0 HZ3 LYS A 22 3.529 -17.245 5.407 1.00 44.54 H new ATOM 345 N ASP A 23 8.471 -11.284 7.965 1.00 1.22 N ATOM 346 CA ASP A 23 9.851 -10.841 7.802 1.00 20.23 C ATOM 347 C ASP A 23 10.578 -11.696 6.769 1.00 75.33 C ATOM 348 O ASP A 23 11.113 -12.757 7.090 1.00 25.53 O ATOM 349 CB ASP A 23 10.589 -10.900 9.141 1.00 43.55 C ATOM 350 CG ASP A 23 9.721 -10.454 10.301 1.00 72.33 C ATOM 351 OD1 ASP A 23 9.384 -11.305 11.151 1.00 61.11 O ATOM 352 OD2 ASP A 23 9.379 -9.255 10.359 1.00 54.01 O ATOM 0 H ASP A 23 8.249 -11.639 8.895 1.00 1.22 H new ATOM 0 HA ASP A 23 9.836 -9.810 7.448 1.00 20.23 H new ATOM 0 HB2 ASP A 23 10.932 -11.919 9.319 1.00 43.55 H new ATOM 0 HB3 ASP A 23 11.476 -10.269 9.091 1.00 43.55 H new ATOM 357 N THR A 24 10.591 -11.228 5.525 1.00 40.05 N ATOM 358 CA THR A 24 11.249 -11.950 4.443 1.00 22.12 C ATOM 359 C THR A 24 12.377 -11.123 3.836 1.00 75.00 C ATOM 360 O THR A 24 12.224 -9.924 3.603 1.00 50.24 O ATOM 361 CB THR A 24 10.252 -12.331 3.333 1.00 55.41 C ATOM 362 OG1 THR A 24 9.231 -13.185 3.863 1.00 43.54 O ATOM 363 CG2 THR A 24 10.961 -13.032 2.185 1.00 64.13 C ATOM 0 H THR A 24 10.153 -10.352 5.242 1.00 40.05 H new ATOM 0 HA THR A 24 11.663 -12.860 4.877 1.00 22.12 H new ATOM 0 HB THR A 24 9.798 -11.415 2.953 1.00 55.41 H new ATOM 0 HG1 THR A 24 8.909 -13.786 3.159 1.00 43.54 H new ATOM 0 HG21 THR A 24 10.236 -13.291 1.414 1.00 64.13 H new ATOM 0 HG22 THR A 24 11.717 -12.368 1.765 1.00 64.13 H new ATOM 0 HG23 THR A 24 11.439 -13.940 2.553 1.00 64.13 H new ATOM 371 N PHE A 25 13.509 -11.771 3.581 1.00 15.14 N ATOM 372 CA PHE A 25 14.663 -11.094 3.001 1.00 74.41 C ATOM 373 C PHE A 25 14.655 -11.215 1.480 1.00 44.12 C ATOM 374 O PHE A 25 14.299 -12.258 0.931 1.00 10.00 O ATOM 375 CB PHE A 25 15.960 -11.679 3.564 1.00 73.20 C ATOM 376 CG PHE A 25 15.941 -11.852 5.056 1.00 44.41 C ATOM 377 CD1 PHE A 25 15.449 -10.850 5.876 1.00 3.54 C ATOM 378 CD2 PHE A 25 16.417 -13.016 5.638 1.00 41.42 C ATOM 379 CE1 PHE A 25 15.431 -11.005 7.250 1.00 73.12 C ATOM 380 CE2 PHE A 25 16.401 -13.177 7.010 1.00 33.04 C ATOM 381 CZ PHE A 25 15.908 -12.170 7.817 1.00 21.14 C ATOM 0 H PHE A 25 13.652 -12.764 3.767 1.00 15.14 H new ATOM 0 HA PHE A 25 14.605 -10.038 3.265 1.00 74.41 H new ATOM 0 HB2 PHE A 25 16.146 -12.646 3.096 1.00 73.20 H new ATOM 0 HB3 PHE A 25 16.791 -11.028 3.292 1.00 73.20 H new ATOM 0 HD1 PHE A 25 15.075 -9.937 5.437 1.00 3.54 H new ATOM 0 HD2 PHE A 25 16.805 -13.806 5.012 1.00 41.42 H new ATOM 0 HE1 PHE A 25 15.045 -10.216 7.878 1.00 73.12 H new ATOM 0 HE2 PHE A 25 16.774 -14.090 7.451 1.00 33.04 H new ATOM 0 HZ PHE A 25 15.896 -12.294 8.890 1.00 21.14 H new ATOM 391 N ILE A 26 15.051 -10.140 0.805 1.00 32.54 N ATOM 392 CA ILE A 26 15.091 -10.125 -0.652 1.00 35.55 C ATOM 393 C ILE A 26 16.370 -9.470 -1.160 1.00 10.21 C ATOM 394 O ILE A 26 16.670 -8.324 -0.824 1.00 14.20 O ATOM 395 CB ILE A 26 13.877 -9.382 -1.240 1.00 40.12 C ATOM 396 CG1 ILE A 26 13.953 -9.366 -2.768 1.00 70.33 C ATOM 397 CG2 ILE A 26 13.809 -7.964 -0.693 1.00 54.23 C ATOM 398 CD1 ILE A 26 13.952 -10.746 -3.387 1.00 63.44 C ATOM 0 H ILE A 26 15.348 -9.269 1.244 1.00 32.54 H new ATOM 0 HA ILE A 26 15.064 -11.164 -0.980 1.00 35.55 H new ATOM 0 HB ILE A 26 12.969 -9.908 -0.945 1.00 40.12 H new ATOM 0 HG12 ILE A 26 13.108 -8.800 -3.160 1.00 70.33 H new ATOM 0 HG13 ILE A 26 14.858 -8.840 -3.073 1.00 70.33 H new ATOM 0 HG21 ILE A 26 12.946 -7.451 -1.118 1.00 54.23 H new ATOM 0 HG22 ILE A 26 13.714 -7.997 0.392 1.00 54.23 H new ATOM 0 HG23 ILE A 26 14.719 -7.427 -0.961 1.00 54.23 H new ATOM 0 HD11 ILE A 26 14.008 -10.658 -4.472 1.00 63.44 H new ATOM 0 HD12 ILE A 26 14.812 -11.308 -3.024 1.00 63.44 H new ATOM 0 HD13 ILE A 26 13.035 -11.268 -3.112 1.00 63.44 H new ATOM 410 N LYS A 27 17.121 -10.204 -1.974 1.00 3.33 N ATOM 411 CA LYS A 27 18.368 -9.694 -2.533 1.00 32.05 C ATOM 412 C LYS A 27 18.136 -8.378 -3.268 1.00 5.45 C ATOM 413 O LYS A 27 17.009 -7.890 -3.348 1.00 52.41 O ATOM 414 CB LYS A 27 18.981 -10.722 -3.486 1.00 41.11 C ATOM 415 CG LYS A 27 18.261 -10.819 -4.820 1.00 64.31 C ATOM 416 CD LYS A 27 18.176 -12.257 -5.304 1.00 30.21 C ATOM 417 CE LYS A 27 16.792 -12.843 -5.070 1.00 52.40 C ATOM 418 NZ LYS A 27 16.711 -13.575 -3.776 1.00 13.21 N ATOM 0 H LYS A 27 16.888 -11.154 -2.262 1.00 3.33 H new ATOM 0 HA LYS A 27 19.060 -9.513 -1.710 1.00 32.05 H new ATOM 0 HB2 LYS A 27 20.025 -10.463 -3.664 1.00 41.11 H new ATOM 0 HB3 LYS A 27 18.973 -11.701 -3.006 1.00 41.11 H new ATOM 0 HG2 LYS A 27 17.257 -10.407 -4.723 1.00 64.31 H new ATOM 0 HG3 LYS A 27 18.784 -10.215 -5.561 1.00 64.31 H new ATOM 0 HD2 LYS A 27 18.415 -12.299 -6.367 1.00 30.21 H new ATOM 0 HD3 LYS A 27 18.921 -12.861 -4.786 1.00 30.21 H new ATOM 0 HE2 LYS A 27 16.052 -12.043 -5.081 1.00 52.40 H new ATOM 0 HE3 LYS A 27 16.542 -13.520 -5.887 1.00 52.40 H new ATOM 0 HZ1 LYS A 27 16.543 -14.585 -3.958 1.00 13.21 H new ATOM 0 HZ2 LYS A 27 17.604 -13.461 -3.256 1.00 13.21 H new ATOM 0 HZ3 LYS A 27 15.929 -13.191 -3.208 1.00 13.21 H new ATOM 432 N CYS A 28 19.211 -7.808 -3.804 1.00 14.24 N ATOM 433 CA CYS A 28 19.125 -6.549 -4.533 1.00 41.42 C ATOM 434 C CYS A 28 19.386 -6.763 -6.021 1.00 72.33 C ATOM 435 O CYS A 28 20.462 -6.463 -6.538 1.00 64.40 O ATOM 436 CB CYS A 28 20.127 -5.539 -3.969 1.00 71.21 C ATOM 437 SG CYS A 28 19.656 -3.799 -4.231 1.00 45.11 S ATOM 0 H CYS A 28 20.151 -8.199 -3.747 1.00 14.24 H new ATOM 0 HA CYS A 28 18.115 -6.156 -4.412 1.00 41.42 H new ATOM 0 HB2 CYS A 28 20.242 -5.716 -2.900 1.00 71.21 H new ATOM 0 HB3 CYS A 28 21.100 -5.714 -4.428 1.00 71.21 H new ATOM 442 N PRO A 29 18.377 -7.295 -6.728 1.00 24.11 N ATOM 443 CA PRO A 29 18.473 -7.561 -8.166 1.00 73.23 C ATOM 444 C PRO A 29 18.505 -6.280 -8.992 1.00 44.31 C ATOM 445 O PRO A 29 18.923 -6.285 -10.150 1.00 64.21 O ATOM 446 CB PRO A 29 17.200 -8.357 -8.465 1.00 31.41 C ATOM 447 CG PRO A 29 16.239 -7.947 -7.403 1.00 54.03 C ATOM 448 CD PRO A 29 17.066 -7.677 -6.177 1.00 42.12 C ATOM 0 HA PRO A 29 19.392 -8.088 -8.422 1.00 73.23 H new ATOM 0 HB2 PRO A 29 16.814 -8.128 -9.458 1.00 31.41 H new ATOM 0 HB3 PRO A 29 17.388 -9.430 -8.436 1.00 31.41 H new ATOM 0 HG2 PRO A 29 15.683 -7.058 -7.702 1.00 54.03 H new ATOM 0 HG3 PRO A 29 15.507 -8.733 -7.215 1.00 54.03 H new ATOM 0 HD2 PRO A 29 16.637 -6.879 -5.570 1.00 42.12 H new ATOM 0 HD3 PRO A 29 17.139 -8.558 -5.539 1.00 42.12 H new ATOM 456 N LYS A 30 18.062 -5.182 -8.389 1.00 42.44 N ATOM 457 CA LYS A 30 18.042 -3.891 -9.068 1.00 31.13 C ATOM 458 C LYS A 30 19.405 -3.574 -9.674 1.00 41.22 C ATOM 459 O LYS A 30 19.541 -3.456 -10.892 1.00 44.51 O ATOM 460 CB LYS A 30 17.636 -2.785 -8.091 1.00 44.22 C ATOM 461 CG LYS A 30 16.413 -2.001 -8.534 1.00 41.11 C ATOM 462 CD LYS A 30 16.541 -0.526 -8.191 1.00 25.21 C ATOM 463 CE LYS A 30 15.235 0.216 -8.425 1.00 50.44 C ATOM 464 NZ LYS A 30 15.459 1.550 -9.048 1.00 42.34 N ATOM 0 H LYS A 30 17.712 -5.160 -7.431 1.00 42.44 H new ATOM 0 HA LYS A 30 17.310 -3.943 -9.874 1.00 31.13 H new ATOM 0 HB2 LYS A 30 17.439 -3.228 -7.115 1.00 44.22 H new ATOM 0 HB3 LYS A 30 18.472 -2.097 -7.966 1.00 44.22 H new ATOM 0 HG2 LYS A 30 16.277 -2.115 -9.609 1.00 41.11 H new ATOM 0 HG3 LYS A 30 15.524 -2.411 -8.055 1.00 41.11 H new ATOM 0 HD2 LYS A 30 16.840 -0.419 -7.148 1.00 25.21 H new ATOM 0 HD3 LYS A 30 17.329 -0.078 -8.796 1.00 25.21 H new ATOM 0 HE2 LYS A 30 14.588 -0.381 -9.068 1.00 50.44 H new ATOM 0 HE3 LYS A 30 14.713 0.341 -7.476 1.00 50.44 H new ATOM 0 HZ1 LYS A 30 14.716 1.734 -9.752 1.00 42.34 H new ATOM 0 HZ2 LYS A 30 15.429 2.286 -8.313 1.00 42.34 H new ATOM 0 HZ3 LYS A 30 16.389 1.564 -9.514 1.00 42.34 H new ATOM 478 N PHE A 31 20.412 -3.438 -8.817 1.00 72.54 N ATOM 479 CA PHE A 31 21.765 -3.135 -9.269 1.00 72.53 C ATOM 480 C PHE A 31 22.665 -4.361 -9.150 1.00 25.43 C ATOM 481 O PHE A 31 22.321 -5.335 -8.480 1.00 20.14 O ATOM 482 CB PHE A 31 22.349 -1.978 -8.457 1.00 43.01 C ATOM 483 CG PHE A 31 21.306 -1.089 -7.844 1.00 34.15 C ATOM 484 CD1 PHE A 31 20.751 -1.397 -6.612 1.00 23.33 C ATOM 485 CD2 PHE A 31 20.878 0.055 -8.499 1.00 24.41 C ATOM 486 CE1 PHE A 31 19.791 -0.581 -6.044 1.00 71.20 C ATOM 487 CE2 PHE A 31 19.919 0.875 -7.936 1.00 72.51 C ATOM 488 CZ PHE A 31 19.373 0.556 -6.708 1.00 24.32 C ATOM 0 H PHE A 31 20.316 -3.533 -7.806 1.00 72.54 H new ATOM 0 HA PHE A 31 21.715 -2.844 -10.318 1.00 72.53 H new ATOM 0 HB2 PHE A 31 22.981 -2.382 -7.666 1.00 43.01 H new ATOM 0 HB3 PHE A 31 22.991 -1.379 -9.103 1.00 43.01 H new ATOM 0 HD1 PHE A 31 21.073 -2.286 -6.089 1.00 23.33 H new ATOM 0 HD2 PHE A 31 21.299 0.308 -9.461 1.00 24.41 H new ATOM 0 HE1 PHE A 31 19.368 -0.832 -5.082 1.00 71.20 H new ATOM 0 HE2 PHE A 31 19.596 1.765 -8.456 1.00 72.51 H new ATOM 0 HZ PHE A 31 18.621 1.194 -6.268 1.00 24.32 H new ATOM 498 N ASP A 32 23.820 -4.306 -9.804 1.00 50.34 N ATOM 499 CA ASP A 32 24.771 -5.410 -9.772 1.00 24.50 C ATOM 500 C ASP A 32 26.037 -5.016 -9.016 1.00 75.03 C ATOM 501 O ASP A 32 26.715 -5.863 -8.438 1.00 63.50 O ATOM 502 CB ASP A 32 25.127 -5.847 -11.194 1.00 21.31 C ATOM 503 CG ASP A 32 24.520 -7.188 -11.557 1.00 30.34 C ATOM 504 OD1 ASP A 32 23.531 -7.206 -12.319 1.00 41.54 O ATOM 505 OD2 ASP A 32 25.034 -8.221 -11.078 1.00 43.33 O ATOM 0 H ASP A 32 24.120 -3.508 -10.363 1.00 50.34 H new ATOM 0 HA ASP A 32 24.303 -6.245 -9.250 1.00 24.50 H new ATOM 0 HB2 ASP A 32 24.781 -5.092 -11.900 1.00 21.31 H new ATOM 0 HB3 ASP A 32 26.211 -5.903 -11.293 1.00 21.31 H new ATOM 510 N ASN A 33 26.347 -3.724 -9.027 1.00 4.12 N ATOM 511 CA ASN A 33 27.532 -3.217 -8.344 1.00 21.22 C ATOM 512 C ASN A 33 27.161 -2.117 -7.354 1.00 53.34 C ATOM 513 O ASN A 33 28.011 -1.334 -6.931 1.00 44.32 O ATOM 514 CB ASN A 33 28.544 -2.684 -9.360 1.00 73.34 C ATOM 515 CG ASN A 33 29.856 -3.443 -9.322 1.00 43.12 C ATOM 516 OD1 ASN A 33 30.330 -3.939 -10.345 1.00 15.32 O ATOM 517 ND2 ASN A 33 30.451 -3.537 -8.138 1.00 51.35 N ATOM 0 H ASN A 33 25.795 -3.009 -9.501 1.00 4.12 H new ATOM 0 HA ASN A 33 27.982 -4.042 -7.792 1.00 21.22 H new ATOM 0 HB2 ASN A 33 28.118 -2.750 -10.361 1.00 73.34 H new ATOM 0 HB3 ASN A 33 28.732 -1.629 -9.162 1.00 73.34 H new ATOM 0 HD21 ASN A 33 31.337 -4.036 -8.050 1.00 51.35 H new ATOM 0 HD22 ASN A 33 30.022 -3.111 -7.317 1.00 51.35 H new ATOM 524 N LYS A 34 25.884 -2.064 -6.989 1.00 4.51 N ATOM 525 CA LYS A 34 25.399 -1.061 -6.048 1.00 33.20 C ATOM 526 C LYS A 34 24.414 -1.676 -5.058 1.00 43.02 C ATOM 527 O LYS A 34 23.743 -0.964 -4.311 1.00 22.24 O ATOM 528 CB LYS A 34 24.729 0.092 -6.800 1.00 25.25 C ATOM 529 CG LYS A 34 25.527 0.583 -7.995 1.00 61.54 C ATOM 530 CD LYS A 34 26.830 1.236 -7.566 1.00 40.24 C ATOM 531 CE LYS A 34 26.744 2.753 -7.643 1.00 64.10 C ATOM 532 NZ LYS A 34 28.093 3.382 -7.702 1.00 53.24 N ATOM 0 H LYS A 34 25.167 -2.704 -7.331 1.00 4.51 H new ATOM 0 HA LYS A 34 26.254 -0.676 -5.492 1.00 33.20 H new ATOM 0 HB2 LYS A 34 23.744 -0.230 -7.139 1.00 25.25 H new ATOM 0 HB3 LYS A 34 24.574 0.922 -6.111 1.00 25.25 H new ATOM 0 HG2 LYS A 34 25.740 -0.254 -8.660 1.00 61.54 H new ATOM 0 HG3 LYS A 34 24.931 1.297 -8.563 1.00 61.54 H new ATOM 0 HD2 LYS A 34 27.071 0.935 -6.546 1.00 40.24 H new ATOM 0 HD3 LYS A 34 27.642 0.884 -8.202 1.00 40.24 H new ATOM 0 HE2 LYS A 34 26.170 3.040 -8.524 1.00 64.10 H new ATOM 0 HE3 LYS A 34 26.205 3.131 -6.774 1.00 64.10 H new ATOM 0 HZ1 LYS A 34 27.992 4.416 -7.754 1.00 53.24 H new ATOM 0 HZ2 LYS A 34 28.632 3.129 -6.849 1.00 53.24 H new ATOM 0 HZ3 LYS A 34 28.598 3.041 -8.545 1.00 53.24 H new ATOM 546 N LYS A 35 24.334 -3.002 -5.057 1.00 72.22 N ATOM 547 CA LYS A 35 23.434 -3.714 -4.158 1.00 11.05 C ATOM 548 C LYS A 35 23.667 -3.294 -2.710 1.00 1.41 C ATOM 549 O LYS A 35 24.670 -2.654 -2.392 1.00 41.45 O ATOM 550 CB LYS A 35 23.629 -5.225 -4.299 1.00 33.35 C ATOM 551 CG LYS A 35 25.062 -5.677 -4.077 1.00 72.10 C ATOM 552 CD LYS A 35 25.450 -6.790 -5.036 1.00 30.44 C ATOM 553 CE LYS A 35 25.383 -8.153 -4.363 1.00 71.25 C ATOM 554 NZ LYS A 35 25.630 -9.260 -5.328 1.00 70.34 N ATOM 0 H LYS A 35 24.882 -3.606 -5.669 1.00 72.22 H new ATOM 0 HA LYS A 35 22.410 -3.459 -4.432 1.00 11.05 H new ATOM 0 HB2 LYS A 35 22.982 -5.735 -3.585 1.00 33.35 H new ATOM 0 HB3 LYS A 35 23.310 -5.533 -5.295 1.00 33.35 H new ATOM 0 HG2 LYS A 35 25.736 -4.831 -4.209 1.00 72.10 H new ATOM 0 HG3 LYS A 35 25.181 -6.022 -3.050 1.00 72.10 H new ATOM 0 HD2 LYS A 35 24.785 -6.776 -5.900 1.00 30.44 H new ATOM 0 HD3 LYS A 35 26.460 -6.616 -5.408 1.00 30.44 H new ATOM 0 HE2 LYS A 35 26.120 -8.199 -3.561 1.00 71.25 H new ATOM 0 HE3 LYS A 35 24.403 -8.283 -3.903 1.00 71.25 H new ATOM 0 HZ1 LYS A 35 25.576 -10.172 -4.831 1.00 70.34 H new ATOM 0 HZ2 LYS A 35 24.912 -9.232 -6.080 1.00 70.34 H new ATOM 0 HZ3 LYS A 35 26.575 -9.150 -5.748 1.00 70.34 H new ATOM 568 N CYS A 36 22.736 -3.658 -1.835 1.00 74.43 N ATOM 569 CA CYS A 36 22.840 -3.320 -0.421 1.00 33.40 C ATOM 570 C CYS A 36 24.200 -3.728 0.137 1.00 43.30 C ATOM 571 O CYS A 36 24.475 -4.912 0.334 1.00 74.03 O ATOM 572 CB CYS A 36 21.725 -4.006 0.372 1.00 1.30 C ATOM 573 SG CYS A 36 20.154 -3.084 0.395 1.00 1.24 S ATOM 0 H CYS A 36 21.900 -4.188 -2.081 1.00 74.43 H new ATOM 0 HA CYS A 36 22.736 -2.239 -0.323 1.00 33.40 H new ATOM 0 HB2 CYS A 36 21.548 -4.995 -0.052 1.00 1.30 H new ATOM 0 HB3 CYS A 36 22.062 -4.155 1.398 1.00 1.30 H new ATOM 578 N THR A 37 25.050 -2.737 0.391 1.00 63.34 N ATOM 579 CA THR A 37 26.382 -2.991 0.925 1.00 63.42 C ATOM 580 C THR A 37 26.569 -2.317 2.279 1.00 4.10 C ATOM 581 O THR A 37 27.673 -1.896 2.628 1.00 73.12 O ATOM 582 CB THR A 37 27.478 -2.496 -0.038 1.00 73.13 C ATOM 583 OG1 THR A 37 27.132 -1.205 -0.551 1.00 11.40 O ATOM 584 CG2 THR A 37 27.666 -3.471 -1.191 1.00 21.12 C ATOM 0 H THR A 37 24.839 -1.751 0.235 1.00 63.34 H new ATOM 0 HA THR A 37 26.474 -4.071 1.044 1.00 63.42 H new ATOM 0 HB THR A 37 28.414 -2.428 0.516 1.00 73.13 H new ATOM 0 HG1 THR A 37 27.834 -0.896 -1.161 1.00 11.40 H new ATOM 0 HG21 THR A 37 28.445 -3.100 -1.858 1.00 21.12 H new ATOM 0 HG22 THR A 37 27.957 -4.446 -0.799 1.00 21.12 H new ATOM 0 HG23 THR A 37 26.731 -3.566 -1.743 1.00 21.12 H new ATOM 592 N LYS A 38 25.485 -2.217 3.040 1.00 32.40 N ATOM 593 CA LYS A 38 25.529 -1.596 4.358 1.00 11.32 C ATOM 594 C LYS A 38 24.588 -2.306 5.327 1.00 65.15 C ATOM 595 O LYS A 38 23.624 -2.949 4.911 1.00 24.30 O ATOM 596 CB LYS A 38 25.153 -0.115 4.259 1.00 23.44 C ATOM 597 CG LYS A 38 26.251 0.823 4.729 1.00 1.32 C ATOM 598 CD LYS A 38 26.075 1.200 6.191 1.00 64.52 C ATOM 599 CE LYS A 38 27.405 1.551 6.840 1.00 44.24 C ATOM 600 NZ LYS A 38 27.958 2.830 6.314 1.00 11.31 N ATOM 0 H LYS A 38 24.564 -2.559 2.766 1.00 32.40 H new ATOM 0 HA LYS A 38 26.547 -1.683 4.739 1.00 11.32 H new ATOM 0 HB2 LYS A 38 24.904 0.120 3.224 1.00 23.44 H new ATOM 0 HB3 LYS A 38 24.255 0.064 4.851 1.00 23.44 H new ATOM 0 HG2 LYS A 38 27.222 0.347 4.589 1.00 1.32 H new ATOM 0 HG3 LYS A 38 26.247 1.725 4.117 1.00 1.32 H new ATOM 0 HD2 LYS A 38 25.395 2.049 6.270 1.00 64.52 H new ATOM 0 HD3 LYS A 38 25.614 0.371 6.729 1.00 64.52 H new ATOM 0 HE2 LYS A 38 27.273 1.629 7.919 1.00 44.24 H new ATOM 0 HE3 LYS A 38 28.119 0.747 6.663 1.00 44.24 H new ATOM 0 HZ1 LYS A 38 28.865 3.034 6.781 1.00 11.31 H new ATOM 0 HZ2 LYS A 38 28.108 2.748 5.288 1.00 11.31 H new ATOM 0 HZ3 LYS A 38 27.288 3.602 6.505 1.00 11.31 H new ATOM 614 N ASP A 39 24.874 -2.184 6.618 1.00 23.31 N ATOM 615 CA ASP A 39 24.052 -2.813 7.646 1.00 43.23 C ATOM 616 C ASP A 39 22.920 -1.887 8.077 1.00 14.53 C ATOM 617 O ASP A 39 23.159 -0.774 8.546 1.00 74.44 O ATOM 618 CB ASP A 39 24.909 -3.189 8.855 1.00 4.44 C ATOM 619 CG ASP A 39 25.777 -2.040 9.329 1.00 3.55 C ATOM 620 OD1 ASP A 39 25.356 -1.322 10.261 1.00 55.02 O ATOM 621 OD2 ASP A 39 26.879 -1.858 8.770 1.00 74.32 O ATOM 0 H ASP A 39 25.669 -1.656 6.978 1.00 23.31 H new ATOM 0 HA ASP A 39 23.616 -3.719 7.225 1.00 43.23 H new ATOM 0 HB2 ASP A 39 24.261 -3.511 9.670 1.00 4.44 H new ATOM 0 HB3 ASP A 39 25.543 -4.037 8.598 1.00 4.44 H new ATOM 626 N ASN A 40 21.686 -2.353 7.915 1.00 72.32 N ATOM 627 CA ASN A 40 20.516 -1.566 8.286 1.00 13.02 C ATOM 628 C ASN A 40 20.403 -0.316 7.419 1.00 45.13 C ATOM 629 O ASN A 40 20.079 0.765 7.909 1.00 63.22 O ATOM 630 CB ASN A 40 20.589 -1.171 9.763 1.00 55.15 C ATOM 631 CG ASN A 40 21.084 -2.304 10.640 1.00 1.14 C ATOM 632 OD1 ASN A 40 22.288 -2.530 10.760 1.00 63.21 O ATOM 633 ND2 ASN A 40 20.155 -3.022 11.260 1.00 73.44 N ATOM 0 H ASN A 40 21.470 -3.272 7.529 1.00 72.32 H new ATOM 0 HA ASN A 40 19.630 -2.180 8.124 1.00 13.02 H new ATOM 0 HB2 ASN A 40 21.252 -0.313 9.874 1.00 55.15 H new ATOM 0 HB3 ASN A 40 19.602 -0.858 10.102 1.00 55.15 H new ATOM 0 HD21 ASN A 40 20.428 -3.797 11.865 1.00 73.44 H new ATOM 0 HD22 ASN A 40 19.168 -2.799 11.132 1.00 73.44 H new ATOM 640 N ASN A 41 20.673 -0.473 6.127 1.00 45.32 N ATOM 641 CA ASN A 41 20.603 0.643 5.190 1.00 11.13 C ATOM 642 C ASN A 41 19.156 0.948 4.816 1.00 53.22 C ATOM 643 O ASN A 41 18.222 0.424 5.423 1.00 74.44 O ATOM 644 CB ASN A 41 21.412 0.331 3.930 1.00 25.52 C ATOM 645 CG ASN A 41 20.889 -0.888 3.194 1.00 4.14 C ATOM 646 OD1 ASN A 41 19.891 -0.813 2.478 1.00 41.01 O ATOM 647 ND2 ASN A 41 21.563 -2.019 3.369 1.00 43.21 N ATOM 0 H ASN A 41 20.942 -1.362 5.705 1.00 45.32 H new ATOM 0 HA ASN A 41 21.027 1.521 5.677 1.00 11.13 H new ATOM 0 HB2 ASN A 41 21.388 1.193 3.263 1.00 25.52 H new ATOM 0 HB3 ASN A 41 22.455 0.168 4.202 1.00 25.52 H new ATOM 0 HD21 ASN A 41 21.258 -2.872 2.900 1.00 43.21 H new ATOM 0 HD22 ASN A 41 22.385 -2.034 3.972 1.00 43.21 H new ATOM 654 N LYS A 42 18.977 1.800 3.811 1.00 22.45 N ATOM 655 CA LYS A 42 17.645 2.174 3.353 1.00 13.41 C ATOM 656 C LYS A 42 17.312 1.491 2.031 1.00 70.32 C ATOM 657 O LYS A 42 17.903 1.798 0.995 1.00 24.23 O ATOM 658 CB LYS A 42 17.546 3.693 3.193 1.00 4.21 C ATOM 659 CG LYS A 42 16.122 4.219 3.244 1.00 44.14 C ATOM 660 CD LYS A 42 16.008 5.432 4.152 1.00 53.03 C ATOM 661 CE LYS A 42 16.641 6.663 3.521 1.00 62.52 C ATOM 662 NZ LYS A 42 16.104 7.923 4.103 1.00 55.31 N ATOM 0 H LYS A 42 19.739 2.244 3.299 1.00 22.45 H new ATOM 0 HA LYS A 42 16.925 1.846 4.103 1.00 13.41 H new ATOM 0 HB2 LYS A 42 18.129 4.171 3.980 1.00 4.21 H new ATOM 0 HB3 LYS A 42 17.996 3.980 2.243 1.00 4.21 H new ATOM 0 HG2 LYS A 42 15.795 4.484 2.239 1.00 44.14 H new ATOM 0 HG3 LYS A 42 15.455 3.433 3.600 1.00 44.14 H new ATOM 0 HD2 LYS A 42 14.958 5.631 4.365 1.00 53.03 H new ATOM 0 HD3 LYS A 42 16.492 5.221 5.105 1.00 53.03 H new ATOM 0 HE2 LYS A 42 17.721 6.629 3.663 1.00 62.52 H new ATOM 0 HE3 LYS A 42 16.460 6.654 2.446 1.00 62.52 H new ATOM 0 HZ1 LYS A 42 16.560 8.738 3.647 1.00 55.31 H new ATOM 0 HZ2 LYS A 42 15.077 7.968 3.945 1.00 55.31 H new ATOM 0 HZ3 LYS A 42 16.299 7.944 5.124 1.00 55.31 H new ATOM 676 N CYS A 43 16.361 0.564 2.072 1.00 20.52 N ATOM 677 CA CYS A 43 15.948 -0.163 0.878 1.00 63.24 C ATOM 678 C CYS A 43 14.444 -0.420 0.890 1.00 41.03 C ATOM 679 O CYS A 43 13.881 -0.833 1.904 1.00 11.42 O ATOM 680 CB CYS A 43 16.703 -1.490 0.777 1.00 75.44 C ATOM 681 SG CYS A 43 16.338 -2.657 2.127 1.00 21.41 S ATOM 0 H CYS A 43 15.861 0.298 2.921 1.00 20.52 H new ATOM 0 HA CYS A 43 16.187 0.450 0.009 1.00 63.24 H new ATOM 0 HB2 CYS A 43 16.459 -1.963 -0.174 1.00 75.44 H new ATOM 0 HB3 CYS A 43 17.774 -1.287 0.766 1.00 75.44 H new ATOM 686 N THR A 44 13.798 -0.173 -0.246 1.00 30.13 N ATOM 687 CA THR A 44 12.360 -0.376 -0.366 1.00 71.24 C ATOM 688 C THR A 44 12.041 -1.440 -1.411 1.00 14.04 C ATOM 689 O THR A 44 12.423 -1.317 -2.574 1.00 42.32 O ATOM 690 CB THR A 44 11.638 0.931 -0.744 1.00 73.13 C ATOM 691 OG1 THR A 44 12.325 1.577 -1.822 1.00 22.43 O ATOM 692 CG2 THR A 44 11.559 1.870 0.450 1.00 43.45 C ATOM 0 H THR A 44 14.248 0.168 -1.095 1.00 30.13 H new ATOM 0 HA THR A 44 12.005 -0.710 0.609 1.00 71.24 H new ATOM 0 HB THR A 44 10.624 0.682 -1.058 1.00 73.13 H new ATOM 0 HG1 THR A 44 11.858 2.406 -2.057 1.00 22.43 H new ATOM 0 HG21 THR A 44 11.045 2.786 0.159 1.00 43.45 H new ATOM 0 HG22 THR A 44 11.009 1.386 1.257 1.00 43.45 H new ATOM 0 HG23 THR A 44 12.566 2.111 0.790 1.00 43.45 H new ATOM 700 N VAL A 45 11.336 -2.485 -0.988 1.00 24.13 N ATOM 701 CA VAL A 45 10.964 -3.570 -1.887 1.00 72.33 C ATOM 702 C VAL A 45 9.639 -3.278 -2.582 1.00 14.10 C ATOM 703 O VAL A 45 8.736 -2.683 -1.994 1.00 14.34 O ATOM 704 CB VAL A 45 10.852 -4.910 -1.135 1.00 12.41 C ATOM 705 CG1 VAL A 45 10.443 -6.024 -2.086 1.00 31.00 C ATOM 706 CG2 VAL A 45 12.165 -5.243 -0.443 1.00 40.01 C ATOM 0 H VAL A 45 11.011 -2.602 -0.028 1.00 24.13 H new ATOM 0 HA VAL A 45 11.754 -3.646 -2.634 1.00 72.33 H new ATOM 0 HB VAL A 45 10.079 -4.815 -0.372 1.00 12.41 H new ATOM 0 HG11 VAL A 45 10.369 -6.963 -1.537 1.00 31.00 H new ATOM 0 HG12 VAL A 45 9.476 -5.787 -2.530 1.00 31.00 H new ATOM 0 HG13 VAL A 45 11.190 -6.123 -2.874 1.00 31.00 H new ATOM 0 HG21 VAL A 45 12.068 -6.193 0.083 1.00 40.01 H new ATOM 0 HG22 VAL A 45 12.959 -5.319 -1.186 1.00 40.01 H new ATOM 0 HG23 VAL A 45 12.410 -4.456 0.270 1.00 40.01 H new ATOM 716 N ASP A 46 9.529 -3.701 -3.837 1.00 12.45 N ATOM 717 CA ASP A 46 8.313 -3.486 -4.612 1.00 53.31 C ATOM 718 C ASP A 46 7.644 -4.814 -4.953 1.00 40.34 C ATOM 719 O ASP A 46 8.212 -5.643 -5.665 1.00 52.24 O ATOM 720 CB ASP A 46 8.630 -2.716 -5.895 1.00 11.30 C ATOM 721 CG ASP A 46 7.983 -1.345 -5.922 1.00 42.33 C ATOM 722 OD1 ASP A 46 6.776 -1.251 -5.614 1.00 63.44 O ATOM 723 OD2 ASP A 46 8.684 -0.365 -6.251 1.00 22.04 O ATOM 0 H ASP A 46 10.267 -4.195 -4.339 1.00 12.45 H new ATOM 0 HA ASP A 46 7.624 -2.898 -4.005 1.00 53.31 H new ATOM 0 HB2 ASP A 46 9.710 -2.607 -5.992 1.00 11.30 H new ATOM 0 HB3 ASP A 46 8.289 -3.292 -6.755 1.00 11.30 H new ATOM 728 N THR A 47 6.434 -5.010 -4.440 1.00 33.43 N ATOM 729 CA THR A 47 5.688 -6.238 -4.688 1.00 4.03 C ATOM 730 C THR A 47 4.784 -6.096 -5.907 1.00 4.42 C ATOM 731 O THR A 47 3.647 -6.568 -5.907 1.00 44.01 O ATOM 732 CB THR A 47 4.831 -6.630 -3.470 1.00 32.32 C ATOM 733 OG1 THR A 47 4.155 -7.867 -3.724 1.00 52.34 O ATOM 734 CG2 THR A 47 3.812 -5.546 -3.153 1.00 43.42 C ATOM 0 H THR A 47 5.949 -4.334 -3.850 1.00 33.43 H new ATOM 0 HA THR A 47 6.422 -7.022 -4.874 1.00 4.03 H new ATOM 0 HB THR A 47 5.492 -6.747 -2.611 1.00 32.32 H new ATOM 0 HG1 THR A 47 3.651 -7.799 -4.562 1.00 52.34 H new ATOM 0 HG21 THR A 47 3.219 -5.846 -2.289 1.00 43.42 H new ATOM 0 HG22 THR A 47 4.330 -4.613 -2.931 1.00 43.42 H new ATOM 0 HG23 THR A 47 3.156 -5.401 -4.011 1.00 43.42 H new ATOM 742 N TYR A 48 5.297 -5.443 -6.944 1.00 54.20 N ATOM 743 CA TYR A 48 4.534 -5.237 -8.170 1.00 1.13 C ATOM 744 C TYR A 48 5.246 -5.862 -9.366 1.00 34.45 C ATOM 745 O TYR A 48 4.607 -6.337 -10.303 1.00 74.42 O ATOM 746 CB TYR A 48 4.317 -3.743 -8.415 1.00 43.24 C ATOM 747 CG TYR A 48 3.347 -3.448 -9.537 1.00 30.11 C ATOM 748 CD1 TYR A 48 3.713 -2.636 -10.603 1.00 42.31 C ATOM 749 CD2 TYR A 48 2.064 -3.981 -9.530 1.00 71.01 C ATOM 750 CE1 TYR A 48 2.830 -2.363 -11.630 1.00 31.13 C ATOM 751 CE2 TYR A 48 1.175 -3.715 -10.553 1.00 54.01 C ATOM 752 CZ TYR A 48 1.562 -2.905 -11.600 1.00 60.44 C ATOM 753 OH TYR A 48 0.679 -2.637 -12.621 1.00 15.23 O ATOM 0 H TYR A 48 6.237 -5.048 -6.960 1.00 54.20 H new ATOM 0 HA TYR A 48 3.566 -5.723 -8.052 1.00 1.13 H new ATOM 0 HB2 TYR A 48 3.950 -3.283 -7.498 1.00 43.24 H new ATOM 0 HB3 TYR A 48 5.276 -3.278 -8.643 1.00 43.24 H new ATOM 0 HD1 TYR A 48 4.705 -2.211 -10.629 1.00 42.31 H new ATOM 0 HD2 TYR A 48 1.757 -4.614 -8.711 1.00 71.01 H new ATOM 0 HE1 TYR A 48 3.131 -1.729 -12.451 1.00 31.13 H new ATOM 0 HE2 TYR A 48 0.182 -4.139 -10.533 1.00 54.01 H new ATOM 0 HH TYR A 48 -0.170 -3.096 -12.448 1.00 15.23 H new ATOM 763 N ASN A 49 6.574 -5.859 -9.324 1.00 1.34 N ATOM 764 CA ASN A 49 7.374 -6.426 -10.403 1.00 4.41 C ATOM 765 C ASN A 49 8.701 -6.960 -9.873 1.00 64.51 C ATOM 766 O ASN A 49 9.650 -7.157 -10.631 1.00 41.22 O ATOM 767 CB ASN A 49 7.631 -5.373 -11.483 1.00 11.51 C ATOM 768 CG ASN A 49 8.639 -4.328 -11.044 1.00 64.33 C ATOM 769 OD1 ASN A 49 9.669 -4.134 -11.690 1.00 41.23 O ATOM 770 ND2 ASN A 49 8.347 -3.650 -9.940 1.00 72.54 N ATOM 0 H ASN A 49 7.119 -5.470 -8.554 1.00 1.34 H new ATOM 0 HA ASN A 49 6.816 -7.255 -10.838 1.00 4.41 H new ATOM 0 HB2 ASN A 49 7.991 -5.864 -12.387 1.00 11.51 H new ATOM 0 HB3 ASN A 49 6.692 -4.883 -11.739 1.00 11.51 H new ATOM 0 HD21 ASN A 49 8.988 -2.935 -9.596 1.00 72.54 H new ATOM 0 HD22 ASN A 49 7.482 -3.844 -9.436 1.00 72.54 H new ATOM 777 N ASN A 50 8.759 -7.195 -8.566 1.00 42.50 N ATOM 778 CA ASN A 50 9.970 -7.707 -7.934 1.00 53.11 C ATOM 779 C ASN A 50 11.151 -6.774 -8.185 1.00 72.40 C ATOM 780 O ASN A 50 11.798 -6.843 -9.230 1.00 11.05 O ATOM 781 CB ASN A 50 10.291 -9.108 -8.460 1.00 14.52 C ATOM 782 CG ASN A 50 9.520 -10.190 -7.729 1.00 23.04 C ATOM 783 OD1 ASN A 50 8.304 -10.309 -7.876 1.00 12.22 O ATOM 784 ND2 ASN A 50 10.228 -10.986 -6.935 1.00 15.21 N ATOM 0 H ASN A 50 7.982 -7.039 -7.924 1.00 42.50 H new ATOM 0 HA ASN A 50 9.795 -7.761 -6.860 1.00 53.11 H new ATOM 0 HB2 ASN A 50 10.059 -9.156 -9.524 1.00 14.52 H new ATOM 0 HB3 ASN A 50 11.360 -9.295 -8.358 1.00 14.52 H new ATOM 0 HD21 ASN A 50 9.765 -11.733 -6.417 1.00 15.21 H new ATOM 0 HD22 ASN A 50 11.235 -10.851 -6.844 1.00 15.21 H new ATOM 791 N ALA A 51 11.426 -5.904 -7.219 1.00 51.23 N ATOM 792 CA ALA A 51 12.530 -4.959 -7.334 1.00 23.51 C ATOM 793 C ALA A 51 12.691 -4.145 -6.055 1.00 53.50 C ATOM 794 O ALA A 51 11.713 -3.641 -5.501 1.00 23.42 O ATOM 795 CB ALA A 51 12.315 -4.038 -8.526 1.00 25.34 C ATOM 0 H ALA A 51 10.900 -5.834 -6.348 1.00 51.23 H new ATOM 0 HA ALA A 51 13.447 -5.527 -7.489 1.00 23.51 H new ATOM 0 HB1 ALA A 51 13.147 -3.338 -8.599 1.00 25.34 H new ATOM 0 HB2 ALA A 51 12.258 -4.631 -9.439 1.00 25.34 H new ATOM 0 HB3 ALA A 51 11.385 -3.484 -8.395 1.00 25.34 H new ATOM 801 N VAL A 52 13.930 -4.019 -5.591 1.00 12.45 N ATOM 802 CA VAL A 52 14.218 -3.264 -4.377 1.00 22.24 C ATOM 803 C VAL A 52 15.078 -2.042 -4.680 1.00 61.41 C ATOM 804 O VAL A 52 15.877 -2.050 -5.617 1.00 52.11 O ATOM 805 CB VAL A 52 14.937 -4.137 -3.331 1.00 31.13 C ATOM 806 CG1 VAL A 52 16.389 -4.357 -3.726 1.00 22.23 C ATOM 807 CG2 VAL A 52 14.841 -3.503 -1.951 1.00 41.45 C ATOM 0 H VAL A 52 14.750 -4.430 -6.037 1.00 12.45 H new ATOM 0 HA VAL A 52 13.260 -2.939 -3.972 1.00 22.24 H new ATOM 0 HB VAL A 52 14.445 -5.109 -3.294 1.00 31.13 H new ATOM 0 HG11 VAL A 52 16.881 -4.976 -2.975 1.00 22.23 H new ATOM 0 HG12 VAL A 52 16.431 -4.858 -4.693 1.00 22.23 H new ATOM 0 HG13 VAL A 52 16.898 -3.395 -3.793 1.00 22.23 H new ATOM 0 HG21 VAL A 52 15.354 -4.133 -1.225 1.00 41.45 H new ATOM 0 HG22 VAL A 52 15.307 -2.518 -1.970 1.00 41.45 H new ATOM 0 HG23 VAL A 52 13.793 -3.403 -1.668 1.00 41.45 H new ATOM 817 N ASP A 53 14.910 -0.994 -3.882 1.00 33.35 N ATOM 818 CA ASP A 53 15.672 0.236 -4.063 1.00 72.33 C ATOM 819 C ASP A 53 16.707 0.402 -2.955 1.00 51.32 C ATOM 820 O ASP A 53 16.574 1.271 -2.092 1.00 60.42 O ATOM 821 CB ASP A 53 14.734 1.443 -4.088 1.00 15.35 C ATOM 822 CG ASP A 53 14.287 1.802 -5.491 1.00 63.44 C ATOM 823 OD1 ASP A 53 13.184 1.373 -5.891 1.00 65.34 O ATOM 824 OD2 ASP A 53 15.040 2.512 -6.190 1.00 23.42 O ATOM 0 H ASP A 53 14.252 -0.971 -3.103 1.00 33.35 H new ATOM 0 HA ASP A 53 16.195 0.173 -5.017 1.00 72.33 H new ATOM 0 HB2 ASP A 53 13.858 1.231 -3.474 1.00 15.35 H new ATOM 0 HB3 ASP A 53 15.238 2.300 -3.640 1.00 15.35 H new ATOM 829 N CYS A 54 17.738 -0.436 -2.984 1.00 54.15 N ATOM 830 CA CYS A 54 18.795 -0.383 -1.982 1.00 63.44 C ATOM 831 C CYS A 54 19.376 1.024 -1.878 1.00 21.23 C ATOM 832 O CYS A 54 19.123 1.876 -2.729 1.00 52.03 O ATOM 833 CB CYS A 54 19.904 -1.380 -2.328 1.00 35.13 C ATOM 834 SG CYS A 54 19.384 -3.125 -2.255 1.00 12.42 S ATOM 0 H CYS A 54 17.864 -1.160 -3.691 1.00 54.15 H new ATOM 0 HA CYS A 54 18.362 -0.650 -1.018 1.00 63.44 H new ATOM 0 HB2 CYS A 54 20.273 -1.163 -3.331 1.00 35.13 H new ATOM 0 HB3 CYS A 54 20.738 -1.232 -1.642 1.00 35.13 H new ATOM 839 N ASP A 55 20.156 1.259 -0.828 1.00 50.14 N ATOM 840 CA ASP A 55 20.774 2.562 -0.612 1.00 44.03 C ATOM 841 C ASP A 55 21.571 2.996 -1.839 1.00 21.52 C ATOM 842 O ASP A 55 21.575 4.172 -2.205 1.00 24.25 O ATOM 843 CB ASP A 55 21.686 2.520 0.615 1.00 42.30 C ATOM 844 CG ASP A 55 21.732 3.847 1.348 1.00 60.24 C ATOM 845 OD1 ASP A 55 20.652 4.406 1.631 1.00 33.13 O ATOM 846 OD2 ASP A 55 22.848 4.325 1.638 1.00 40.40 O ATOM 0 H ASP A 55 20.375 0.565 -0.114 1.00 50.14 H new ATOM 0 HA ASP A 55 19.980 3.289 -0.441 1.00 44.03 H new ATOM 0 HB2 ASP A 55 21.338 1.744 1.296 1.00 42.30 H new ATOM 0 HB3 ASP A 55 22.694 2.244 0.306 1.00 42.30 H new