USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 90 A O2' : rot -13:sc= 0.27 USER MOD Single : A 90 A O5' : rot -162:sc= 0.227 USER MOD Single : A 91 A O2' : rot 8:sc= 0.283 USER MOD Single : A 92 C O2' : rot 26:sc= 0.197 USER MOD Single : A 93 A O2' : rot -11:sc= 0.163 USER MOD Single : A 94 A O2' : rot -78:sc= 1.26 USER MOD Single : A 95 A O2' : rot -17:sc= 0.319 USER MOD Single : A 95 A O3' : rot 180:sc= 0.283 USER MOD Single : B 13 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 14 ASN : amide:sc= 0.2 K(o=0.2,f=-1.6) USER MOD Single : B 16 CYS SG : rot 180:sc= -0.15 USER MOD Single : B 19 TYR OH : rot -172:sc= 0.275 USER MOD Single : B 22 ASN : amide:sc= -0.966 X(o=-0.97,f=-1) USER MOD Single : B 29 THR OG1 : rot 93:sc= 0.0543 USER MOD Single : B 30 LYS NZ :NH3+ -171:sc=-0.00586 (180deg=-0.124) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 167:sc= -0.0235 (180deg=-0.239) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -165:sc= 0.819 (180deg=0.487) USER MOD Single : B 49 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.3) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 6 -3.625 9.454 -2.677 1.00 0.00 N ATOM 2 CA VAL B 6 -4.295 8.507 -1.762 1.00 0.00 C ATOM 3 C VAL B 6 -3.286 7.614 -1.049 1.00 0.00 C ATOM 4 O VAL B 6 -3.132 7.700 0.164 1.00 0.00 O ATOM 5 CB VAL B 6 -5.360 7.672 -2.485 1.00 0.00 C ATOM 6 CG1 VAL B 6 -6.175 6.875 -1.467 1.00 0.00 C ATOM 7 CG2 VAL B 6 -6.307 8.569 -3.280 1.00 0.00 C ATOM 0 HA VAL B 6 -4.807 9.101 -1.005 1.00 0.00 H new ATOM 0 HB VAL B 6 -4.850 6.995 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -6.929 6.284 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -5.513 6.210 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -6.664 7.561 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -7.053 7.954 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -6.805 9.263 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -5.739 9.131 -4.022 1.00 0.00 H new ATOM 17 N ILE B 7 -2.595 6.753 -1.806 1.00 0.00 N ATOM 18 CA ILE B 7 -1.591 5.859 -1.244 1.00 0.00 C ATOM 19 C ILE B 7 -0.376 6.664 -0.780 1.00 0.00 C ATOM 20 O ILE B 7 0.012 7.636 -1.426 1.00 0.00 O ATOM 21 CB ILE B 7 -1.198 4.807 -2.290 1.00 0.00 C ATOM 22 CG1 ILE B 7 -2.429 3.959 -2.646 1.00 0.00 C ATOM 23 CG2 ILE B 7 -0.078 3.909 -1.762 1.00 0.00 C ATOM 24 CD1 ILE B 7 -2.119 2.956 -3.758 1.00 0.00 C ATOM 0 H ILE B 7 -2.718 6.661 -2.814 1.00 0.00 H new ATOM 0 HA ILE B 7 -2.002 5.343 -0.376 1.00 0.00 H new ATOM 0 HB ILE B 7 -0.833 5.316 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -2.773 3.426 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE B 7 -3.243 4.612 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE B 7 0.184 3.171 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE B 7 0.796 4.517 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.416 3.399 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -3.013 2.374 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -1.800 3.491 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -1.323 2.286 -3.433 1.00 0.00 H new ATOM 36 N ARG B 8 0.228 6.255 0.342 1.00 0.00 N ATOM 37 CA ARG B 8 1.402 6.917 0.888 1.00 0.00 C ATOM 38 C ARG B 8 2.620 6.651 0.008 1.00 0.00 C ATOM 39 O ARG B 8 2.863 5.514 -0.385 1.00 0.00 O ATOM 40 CB ARG B 8 1.621 6.445 2.329 1.00 0.00 C ATOM 41 CG ARG B 8 2.996 6.864 2.870 1.00 0.00 C ATOM 42 CD ARG B 8 4.054 5.775 2.651 1.00 0.00 C ATOM 43 NE ARG B 8 3.716 4.545 3.373 1.00 0.00 N ATOM 44 CZ ARG B 8 3.794 4.406 4.700 1.00 0.00 C ATOM 45 NH1 ARG B 8 4.232 5.405 5.459 1.00 0.00 N ATOM 46 NH2 ARG B 8 3.434 3.261 5.272 1.00 0.00 N ATOM 0 H ARG B 8 -0.089 5.456 0.891 1.00 0.00 H new ATOM 0 HA ARG B 8 1.248 7.996 0.901 1.00 0.00 H new ATOM 0 HB2 ARG B 8 0.840 6.857 2.968 1.00 0.00 H new ATOM 0 HB3 ARG B 8 1.530 5.360 2.373 1.00 0.00 H new ATOM 0 HG2 ARG B 8 3.314 7.783 2.379 1.00 0.00 H new ATOM 0 HG3 ARG B 8 2.916 7.083 3.935 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.142 5.561 1.586 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.026 6.138 2.984 1.00 0.00 H new ATOM 0 HE ARG B 8 3.401 3.743 2.827 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.512 6.287 5.030 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.288 5.290 6.471 1.00 0.00 H new ATOM 0 HH21 ARG B 8 3.098 2.488 4.698 1.00 0.00 H new ATOM 0 HH22 ARG B 8 3.494 3.156 6.285 1.00 0.00 H new ATOM 60 N GLY B 9 3.382 7.705 -0.293 1.00 0.00 N ATOM 61 CA GLY B 9 4.620 7.591 -1.046 1.00 0.00 C ATOM 62 C GLY B 9 4.384 6.945 -2.411 1.00 0.00 C ATOM 63 O GLY B 9 3.257 6.934 -2.909 1.00 0.00 O ATOM 0 H GLY B 9 3.152 8.660 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY B 9 5.058 8.580 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.339 6.998 -0.480 1.00 0.00 H new ATOM 67 N PRO B 10 5.445 6.401 -3.022 1.00 0.00 N ATOM 68 CA PRO B 10 5.356 5.677 -4.274 1.00 0.00 C ATOM 69 C PRO B 10 4.705 4.313 -4.036 1.00 0.00 C ATOM 70 O PRO B 10 4.602 3.859 -2.896 1.00 0.00 O ATOM 71 CB PRO B 10 6.798 5.536 -4.759 1.00 0.00 C ATOM 72 CG PRO B 10 7.626 5.578 -3.477 1.00 0.00 C ATOM 73 CD PRO B 10 6.807 6.452 -2.529 1.00 0.00 C ATOM 0 HA PRO B 10 4.743 6.189 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.947 4.602 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO B 10 7.072 6.344 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.776 4.579 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO B 10 8.614 6.002 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO B 10 6.867 6.081 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO B 10 7.181 7.476 -2.519 1.00 0.00 H new ATOM 81 N ALA B 11 4.263 3.658 -5.113 1.00 0.00 N ATOM 82 CA ALA B 11 3.600 2.363 -5.020 1.00 0.00 C ATOM 83 C ALA B 11 4.591 1.243 -4.673 1.00 0.00 C ATOM 84 O ALA B 11 4.176 0.109 -4.441 1.00 0.00 O ATOM 85 CB ALA B 11 2.910 2.066 -6.353 1.00 0.00 C ATOM 0 H ALA B 11 4.356 4.011 -6.066 1.00 0.00 H new ATOM 0 HA ALA B 11 2.864 2.403 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA B 11 2.410 1.099 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA B 11 2.175 2.843 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA B 11 3.653 2.044 -7.150 1.00 0.00 H new ATOM 91 N GLY B 12 5.890 1.557 -4.636 1.00 0.00 N ATOM 92 CA GLY B 12 6.919 0.577 -4.329 1.00 0.00 C ATOM 93 C GLY B 12 6.981 0.279 -2.831 1.00 0.00 C ATOM 94 O GLY B 12 6.379 0.984 -2.024 1.00 0.00 O ATOM 0 H GLY B 12 6.249 2.494 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY B 12 6.720 -0.344 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY B 12 7.887 0.946 -4.668 1.00 0.00 H new ATOM 98 N ASN B 13 7.716 -0.776 -2.462 1.00 0.00 N ATOM 99 CA ASN B 13 7.838 -1.199 -1.074 1.00 0.00 C ATOM 100 C ASN B 13 8.798 -0.289 -0.305 1.00 0.00 C ATOM 101 O ASN B 13 9.751 0.245 -0.873 1.00 0.00 O ATOM 102 CB ASN B 13 8.317 -2.653 -1.018 1.00 0.00 C ATOM 103 CG ASN B 13 7.342 -3.604 -1.703 1.00 0.00 C ATOM 104 OD1 ASN B 13 6.156 -3.313 -1.830 1.00 0.00 O ATOM 105 ND2 ASN B 13 7.843 -4.754 -2.145 1.00 0.00 N ATOM 0 H ASN B 13 8.239 -1.355 -3.119 1.00 0.00 H new ATOM 0 HA ASN B 13 6.859 -1.126 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN B 13 9.294 -2.731 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN B 13 8.445 -2.953 0.022 1.00 0.00 H new ATOM 0 HD21 ASN B 13 7.236 -5.430 -2.608 1.00 0.00 H new ATOM 0 HD22 ASN B 13 8.834 -4.960 -2.021 1.00 0.00 H new ATOM 112 N ASN B 14 8.546 -0.113 0.995 1.00 0.00 N ATOM 113 CA ASN B 14 9.386 0.718 1.851 1.00 0.00 C ATOM 114 C ASN B 14 10.678 -0.023 2.216 1.00 0.00 C ATOM 115 O ASN B 14 11.593 0.572 2.786 1.00 0.00 O ATOM 116 CB ASN B 14 8.595 1.087 3.107 1.00 0.00 C ATOM 117 CG ASN B 14 9.284 2.197 3.890 1.00 0.00 C ATOM 118 OD1 ASN B 14 9.540 3.275 3.360 1.00 0.00 O ATOM 119 ND2 ASN B 14 9.584 1.946 5.160 1.00 0.00 N ATOM 0 H ASN B 14 7.757 -0.542 1.479 1.00 0.00 H new ATOM 0 HA ASN B 14 9.667 1.628 1.321 1.00 0.00 H new ATOM 0 HB2 ASN B 14 7.591 1.406 2.826 1.00 0.00 H new ATOM 0 HB3 ASN B 14 8.484 0.207 3.741 1.00 0.00 H new ATOM 0 HD21 ASN B 14 10.041 2.660 5.727 1.00 0.00 H new ATOM 0 HD22 ASN B 14 9.357 1.039 5.568 1.00 0.00 H new ATOM 126 N ASP B 15 10.756 -1.318 1.894 1.00 0.00 N ATOM 127 CA ASP B 15 11.898 -2.151 2.240 1.00 0.00 C ATOM 128 C ASP B 15 13.166 -1.812 1.446 1.00 0.00 C ATOM 129 O ASP B 15 14.243 -2.324 1.754 1.00 0.00 O ATOM 130 CB ASP B 15 11.535 -3.631 2.079 1.00 0.00 C ATOM 131 CG ASP B 15 10.498 -4.095 3.103 1.00 0.00 C ATOM 132 OD1 ASP B 15 10.129 -3.283 3.981 1.00 0.00 O ATOM 133 OD2 ASP B 15 10.083 -5.270 2.994 1.00 0.00 O ATOM 0 H ASP B 15 10.024 -1.814 1.385 1.00 0.00 H new ATOM 0 HA ASP B 15 12.134 -1.942 3.283 1.00 0.00 H new ATOM 0 HB2 ASP B 15 11.149 -3.800 1.074 1.00 0.00 H new ATOM 0 HB3 ASP B 15 12.436 -4.236 2.180 1.00 0.00 H new ATOM 138 N CYS B 16 13.036 -0.956 0.430 1.00 0.00 N ATOM 139 CA CYS B 16 14.161 -0.538 -0.398 1.00 0.00 C ATOM 140 C CYS B 16 14.155 0.978 -0.587 1.00 0.00 C ATOM 141 O CYS B 16 14.913 1.507 -1.400 1.00 0.00 O ATOM 142 CB CYS B 16 14.100 -1.255 -1.749 1.00 0.00 C ATOM 143 SG CYS B 16 14.245 -3.047 -1.494 1.00 0.00 S ATOM 0 H CYS B 16 12.147 -0.535 0.161 1.00 0.00 H new ATOM 0 HA CYS B 16 15.091 -0.809 0.102 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.161 -1.024 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS B 16 14.904 -0.903 -2.396 1.00 0.00 H new ATOM 0 HG CYS B 16 14.191 -3.654 -2.642 1.00 0.00 H new ATOM 149 N ARG B 17 13.295 1.676 0.161 1.00 0.00 N ATOM 150 CA ARG B 17 13.133 3.113 0.057 1.00 0.00 C ATOM 151 C ARG B 17 13.838 3.819 1.209 1.00 0.00 C ATOM 152 O ARG B 17 13.932 3.279 2.310 1.00 0.00 O ATOM 153 CB ARG B 17 11.637 3.420 0.014 1.00 0.00 C ATOM 154 CG ARG B 17 11.414 4.893 -0.306 1.00 0.00 C ATOM 155 CD ARG B 17 9.984 5.121 -0.795 1.00 0.00 C ATOM 156 NE ARG B 17 8.993 4.808 0.242 1.00 0.00 N ATOM 157 CZ ARG B 17 8.059 3.859 0.129 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.010 3.074 -0.944 1.00 0.00 N ATOM 159 NH2 ARG B 17 7.167 3.697 1.098 1.00 0.00 N ATOM 0 H ARG B 17 12.690 1.246 0.860 1.00 0.00 H new ATOM 0 HA ARG B 17 13.596 3.487 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.152 2.799 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.180 3.175 0.973 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.602 5.497 0.581 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.122 5.217 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.868 6.159 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.798 4.503 -1.673 1.00 0.00 H new ATOM 0 HE ARG B 17 9.019 5.351 1.105 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.691 3.192 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.291 2.354 -1.017 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.197 4.295 1.924 1.00 0.00 H new ATOM 0 HH22 ARG B 17 6.452 2.974 1.017 1.00 0.00 H new ATOM 173 N ILE B 18 14.329 5.034 0.947 1.00 0.00 N ATOM 174 CA ILE B 18 15.035 5.842 1.935 1.00 0.00 C ATOM 175 C ILE B 18 14.473 7.260 1.941 1.00 0.00 C ATOM 176 O ILE B 18 13.565 7.582 1.176 1.00 0.00 O ATOM 177 CB ILE B 18 16.540 5.850 1.640 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.860 6.702 0.403 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.052 4.421 1.460 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.374 6.852 0.218 1.00 0.00 C ATOM 0 H ILE B 18 14.245 5.484 0.036 1.00 0.00 H new ATOM 0 HA ILE B 18 14.888 5.407 2.924 1.00 0.00 H new ATOM 0 HB ILE B 18 17.051 6.299 2.492 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.425 6.240 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.403 7.686 0.506 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.122 4.441 1.251 1.00 0.00 H new ATOM 0 HG22 ILE B 18 16.871 3.852 2.372 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.529 3.949 0.628 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.574 7.459 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.802 7.336 1.096 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.824 5.868 0.091 1.00 0.00 H new ATOM 192 N TYR B 19 15.026 8.101 2.818 1.00 0.00 N ATOM 193 CA TYR B 19 14.568 9.463 3.037 1.00 0.00 C ATOM 194 C TYR B 19 15.611 10.530 2.733 1.00 0.00 C ATOM 195 O TYR B 19 16.812 10.259 2.754 1.00 0.00 O ATOM 196 CB TYR B 19 13.935 9.594 4.429 1.00 0.00 C ATOM 197 CG TYR B 19 13.993 10.982 5.036 1.00 0.00 C ATOM 198 CD1 TYR B 19 15.169 11.408 5.673 1.00 0.00 C ATOM 199 CD2 TYR B 19 12.878 11.834 4.976 1.00 0.00 C ATOM 200 CE1 TYR B 19 15.233 12.677 6.262 1.00 0.00 C ATOM 201 CE2 TYR B 19 12.936 13.104 5.573 1.00 0.00 C ATOM 202 CZ TYR B 19 14.115 13.531 6.208 1.00 0.00 C ATOM 203 OH TYR B 19 14.178 14.766 6.779 1.00 0.00 O ATOM 0 H TYR B 19 15.820 7.843 3.404 1.00 0.00 H new ATOM 0 HA TYR B 19 13.790 9.663 2.300 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.891 9.285 4.367 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.433 8.898 5.104 1.00 0.00 H new ATOM 0 HD1 TYR B 19 16.028 10.754 5.709 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.978 11.513 4.472 1.00 0.00 H new ATOM 0 HE1 TYR B 19 16.137 13.000 6.756 1.00 0.00 H new ATOM 0 HE2 TYR B 19 12.074 13.753 5.544 1.00 0.00 H new ATOM 0 HH TYR B 19 13.288 15.176 6.772 1.00 0.00 H new ATOM 213 N VAL B 20 15.149 11.752 2.450 1.00 0.00 N ATOM 214 CA VAL B 20 16.017 12.864 2.110 1.00 0.00 C ATOM 215 C VAL B 20 15.606 14.120 2.869 1.00 0.00 C ATOM 216 O VAL B 20 14.459 14.557 2.776 1.00 0.00 O ATOM 217 CB VAL B 20 16.004 13.096 0.594 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.115 14.066 0.200 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.189 11.785 -0.170 1.00 0.00 C ATOM 0 H VAL B 20 14.157 11.990 2.453 1.00 0.00 H new ATOM 0 HA VAL B 20 17.037 12.621 2.408 1.00 0.00 H new ATOM 0 HB VAL B 20 15.034 13.519 0.333 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.096 14.223 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.963 15.018 0.708 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.080 13.650 0.489 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.175 11.983 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.144 11.336 0.104 1.00 0.00 H new ATOM 0 HG23 VAL B 20 15.380 11.099 0.083 1.00 0.00 H new ATOM 229 N GLY B 21 16.545 14.707 3.618 1.00 0.00 N ATOM 230 CA GLY B 21 16.275 15.886 4.427 1.00 0.00 C ATOM 231 C GLY B 21 17.313 16.985 4.189 1.00 0.00 C ATOM 232 O GLY B 21 18.359 16.742 3.589 1.00 0.00 O ATOM 0 H GLY B 21 17.508 14.375 3.676 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.281 16.268 4.194 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.272 15.611 5.482 1.00 0.00 H new ATOM 236 N ASN B 22 16.998 18.194 4.668 1.00 0.00 N ATOM 237 CA ASN B 22 17.802 19.395 4.480 1.00 0.00 C ATOM 238 C ASN B 22 17.899 19.788 3.003 1.00 0.00 C ATOM 239 O ASN B 22 18.885 20.389 2.587 1.00 0.00 O ATOM 240 CB ASN B 22 19.178 19.216 5.130 1.00 0.00 C ATOM 241 CG ASN B 22 19.928 20.539 5.207 1.00 0.00 C ATOM 242 OD1 ASN B 22 19.376 21.545 5.643 1.00 0.00 O ATOM 243 ND2 ASN B 22 21.189 20.542 4.783 1.00 0.00 N ATOM 0 H ASN B 22 16.152 18.363 5.212 1.00 0.00 H new ATOM 0 HA ASN B 22 17.304 20.226 4.980 1.00 0.00 H new ATOM 0 HB2 ASN B 22 19.059 18.804 6.132 1.00 0.00 H new ATOM 0 HB3 ASN B 22 19.763 18.496 4.557 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.735 21.403 4.813 1.00 0.00 H new ATOM 0 HD22 ASN B 22 21.610 19.683 4.428 1.00 0.00 H new ATOM 250 N LEU B 23 16.881 19.450 2.206 1.00 0.00 N ATOM 251 CA LEU B 23 16.830 19.871 0.815 1.00 0.00 C ATOM 252 C LEU B 23 16.598 21.384 0.741 1.00 0.00 C ATOM 253 O LEU B 23 15.855 21.931 1.557 1.00 0.00 O ATOM 254 CB LEU B 23 15.704 19.132 0.087 1.00 0.00 C ATOM 255 CG LEU B 23 16.033 17.648 -0.098 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.801 16.923 -0.639 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.186 17.474 -1.084 1.00 0.00 C ATOM 0 H LEU B 23 16.085 18.887 2.506 1.00 0.00 H new ATOM 0 HA LEU B 23 17.778 19.632 0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.777 19.232 0.652 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.535 19.592 -0.887 1.00 0.00 H new ATOM 0 HG LEU B 23 16.325 17.230 0.866 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.030 15.866 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.977 17.029 0.067 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.516 17.356 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.406 16.413 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU B 23 16.907 17.897 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.070 17.987 -0.705 1.00 0.00 H new ATOM 269 N PRO B 24 17.223 22.068 -0.230 1.00 0.00 N ATOM 270 CA PRO B 24 17.004 23.482 -0.475 1.00 0.00 C ATOM 271 C PRO B 24 15.539 23.752 -0.824 1.00 0.00 C ATOM 272 O PRO B 24 14.835 22.848 -1.271 1.00 0.00 O ATOM 273 CB PRO B 24 17.920 23.856 -1.647 1.00 0.00 C ATOM 274 CG PRO B 24 18.941 22.721 -1.726 1.00 0.00 C ATOM 275 CD PRO B 24 18.206 21.516 -1.145 1.00 0.00 C ATOM 0 HA PRO B 24 17.229 24.077 0.410 1.00 0.00 H new ATOM 0 HB2 PRO B 24 17.357 23.946 -2.576 1.00 0.00 H new ATOM 0 HB3 PRO B 24 18.408 24.815 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO B 24 19.255 22.539 -2.754 1.00 0.00 H new ATOM 0 HG3 PRO B 24 19.840 22.953 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO B 24 17.727 20.932 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO B 24 18.894 20.849 -0.626 1.00 0.00 H new ATOM 283 N PRO B 25 15.071 24.992 -0.626 1.00 0.00 N ATOM 284 CA PRO B 25 13.718 25.398 -0.961 1.00 0.00 C ATOM 285 C PRO B 25 13.533 25.447 -2.476 1.00 0.00 C ATOM 286 O PRO B 25 12.402 25.423 -2.960 1.00 0.00 O ATOM 287 CB PRO B 25 13.555 26.784 -0.339 1.00 0.00 C ATOM 288 CG PRO B 25 14.978 27.334 -0.267 1.00 0.00 C ATOM 289 CD PRO B 25 15.835 26.088 -0.063 1.00 0.00 C ATOM 0 HA PRO B 25 12.971 24.699 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO B 25 12.913 27.420 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO B 25 13.100 26.725 0.650 1.00 0.00 H new ATOM 0 HG2 PRO B 25 15.250 27.862 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO B 25 15.094 28.039 0.556 1.00 0.00 H new ATOM 0 HD2 PRO B 25 16.799 26.190 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO B 25 16.038 25.921 0.995 1.00 0.00 H new ATOM 297 N ASP B 26 14.641 25.515 -3.224 1.00 0.00 N ATOM 298 CA ASP B 26 14.619 25.564 -4.678 1.00 0.00 C ATOM 299 C ASP B 26 14.820 24.189 -5.319 1.00 0.00 C ATOM 300 O ASP B 26 15.090 24.091 -6.516 1.00 0.00 O ATOM 301 CB ASP B 26 15.649 26.579 -5.184 1.00 0.00 C ATOM 302 CG ASP B 26 15.282 28.017 -4.816 1.00 0.00 C ATOM 303 OD1 ASP B 26 16.130 28.902 -5.067 1.00 0.00 O ATOM 304 OD2 ASP B 26 14.163 28.227 -4.291 1.00 0.00 O ATOM 0 H ASP B 26 15.581 25.537 -2.828 1.00 0.00 H new ATOM 0 HA ASP B 26 13.625 25.891 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP B 26 16.627 26.339 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP B 26 15.735 26.495 -6.267 1.00 0.00 H new ATOM 309 N ILE B 27 14.695 23.125 -4.521 1.00 0.00 N ATOM 310 CA ILE B 27 14.913 21.762 -4.991 1.00 0.00 C ATOM 311 C ILE B 27 13.924 21.409 -6.101 1.00 0.00 C ATOM 312 O ILE B 27 12.823 21.962 -6.163 1.00 0.00 O ATOM 313 CB ILE B 27 14.803 20.792 -3.803 1.00 0.00 C ATOM 314 CG1 ILE B 27 15.078 19.340 -4.206 1.00 0.00 C ATOM 315 CG2 ILE B 27 13.396 20.846 -3.199 1.00 0.00 C ATOM 316 CD1 ILE B 27 16.487 19.176 -4.779 1.00 0.00 C ATOM 0 H ILE B 27 14.441 23.188 -3.535 1.00 0.00 H new ATOM 0 HA ILE B 27 15.913 21.678 -5.416 1.00 0.00 H new ATOM 0 HB ILE B 27 15.555 21.110 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.959 18.691 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.344 19.021 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE B 27 13.334 20.154 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE B 27 13.188 21.858 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE B 27 12.664 20.565 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE B 27 16.649 18.134 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE B 27 16.596 19.806 -5.662 1.00 0.00 H new ATOM 0 HD13 ILE B 27 17.221 19.471 -4.029 1.00 0.00 H new ATOM 328 N ARG B 28 14.309 20.483 -6.985 1.00 0.00 N ATOM 329 CA ARG B 28 13.466 20.021 -8.074 1.00 0.00 C ATOM 330 C ARG B 28 13.696 18.528 -8.285 1.00 0.00 C ATOM 331 O ARG B 28 14.794 18.031 -8.034 1.00 0.00 O ATOM 332 CB ARG B 28 13.777 20.838 -9.334 1.00 0.00 C ATOM 333 CG ARG B 28 12.874 20.455 -10.514 1.00 0.00 C ATOM 334 CD ARG B 28 11.398 20.718 -10.199 1.00 0.00 C ATOM 335 NE ARG B 28 11.161 22.127 -9.860 1.00 0.00 N ATOM 336 CZ ARG B 28 10.847 23.067 -10.756 1.00 0.00 C ATOM 337 NH1 ARG B 28 10.739 22.771 -12.050 1.00 0.00 N ATOM 338 NH2 ARG B 28 10.637 24.318 -10.356 1.00 0.00 N ATOM 0 H ARG B 28 15.224 20.034 -6.958 1.00 0.00 H new ATOM 0 HA ARG B 28 12.412 20.165 -7.837 1.00 0.00 H new ATOM 0 HB2 ARG B 28 13.655 21.899 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG B 28 14.820 20.688 -9.614 1.00 0.00 H new ATOM 0 HG2 ARG B 28 13.166 21.024 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG B 28 13.014 19.401 -10.754 1.00 0.00 H new ATOM 0 HD2 ARG B 28 10.787 20.442 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG B 28 11.084 20.085 -9.369 1.00 0.00 H new ATOM 0 HE ARG B 28 11.241 22.405 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG B 28 10.897 21.815 -12.369 1.00 0.00 H new ATOM 0 HH12 ARG B 28 10.499 23.500 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG B 28 10.716 24.557 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG B 28 10.397 25.038 -11.038 1.00 0.00 H new ATOM 352 N THR B 29 12.674 17.808 -8.747 1.00 0.00 N ATOM 353 CA THR B 29 12.739 16.359 -8.887 1.00 0.00 C ATOM 354 C THR B 29 13.859 15.857 -9.794 1.00 0.00 C ATOM 355 O THR B 29 14.328 14.734 -9.636 1.00 0.00 O ATOM 356 CB THR B 29 11.379 15.796 -9.307 1.00 0.00 C ATOM 357 OG1 THR B 29 10.346 16.633 -8.832 1.00 0.00 O ATOM 358 CG2 THR B 29 11.189 14.387 -8.752 1.00 0.00 C ATOM 0 H THR B 29 11.783 18.213 -9.033 1.00 0.00 H new ATOM 0 HA THR B 29 12.994 15.978 -7.898 1.00 0.00 H new ATOM 0 HB THR B 29 11.343 15.754 -10.396 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.113 17.289 -9.522 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.217 14.002 -9.060 1.00 0.00 H new ATOM 0 HG22 THR B 29 11.975 13.736 -9.135 1.00 0.00 H new ATOM 0 HG23 THR B 29 11.239 14.415 -7.664 1.00 0.00 H new ATOM 366 N LYS B 30 14.293 16.686 -10.749 1.00 0.00 N ATOM 367 CA LYS B 30 15.348 16.305 -11.675 1.00 0.00 C ATOM 368 C LYS B 30 16.706 16.266 -10.964 1.00 0.00 C ATOM 369 O LYS B 30 17.584 15.491 -11.339 1.00 0.00 O ATOM 370 CB LYS B 30 15.367 17.288 -12.852 1.00 0.00 C ATOM 371 CG LYS B 30 16.526 17.000 -13.816 1.00 0.00 C ATOM 372 CD LYS B 30 16.398 15.600 -14.429 1.00 0.00 C ATOM 373 CE LYS B 30 17.662 15.247 -15.205 1.00 0.00 C ATOM 374 NZ LYS B 30 17.895 16.185 -16.325 1.00 0.00 N ATOM 0 H LYS B 30 13.925 17.626 -10.896 1.00 0.00 H new ATOM 0 HA LYS B 30 15.151 15.303 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.422 17.227 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS B 30 15.453 18.307 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS B 30 16.538 17.748 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS B 30 17.474 17.083 -13.285 1.00 0.00 H new ATOM 0 HD2 LYS B 30 16.228 14.865 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS B 30 15.533 15.563 -15.092 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.519 15.264 -14.532 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.580 14.231 -15.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 18.671 15.830 -16.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 17.030 16.265 -16.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.149 17.120 -15.947 1.00 0.00 H new ATOM 388 N ASP B 31 16.878 17.099 -9.933 1.00 0.00 N ATOM 389 CA ASP B 31 18.140 17.163 -9.208 1.00 0.00 C ATOM 390 C ASP B 31 18.329 15.838 -8.470 1.00 0.00 C ATOM 391 O ASP B 31 19.457 15.392 -8.262 1.00 0.00 O ATOM 392 CB ASP B 31 18.071 18.322 -8.215 1.00 0.00 C ATOM 393 CG ASP B 31 19.440 18.648 -7.611 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.452 19.351 -6.576 1.00 0.00 O ATOM 395 OD2 ASP B 31 20.456 18.197 -8.182 1.00 0.00 O ATOM 0 H ASP B 31 16.159 17.734 -9.587 1.00 0.00 H new ATOM 0 HA ASP B 31 18.979 17.325 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.678 19.206 -8.717 1.00 0.00 H new ATOM 0 HB3 ASP B 31 17.373 18.072 -7.416 1.00 0.00 H new ATOM 400 N ILE B 32 17.221 15.204 -8.076 1.00 0.00 N ATOM 401 CA ILE B 32 17.263 13.922 -7.394 1.00 0.00 C ATOM 402 C ILE B 32 17.581 12.808 -8.391 1.00 0.00 C ATOM 403 O ILE B 32 18.234 11.831 -8.034 1.00 0.00 O ATOM 404 CB ILE B 32 15.920 13.684 -6.692 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.680 14.803 -5.668 1.00 0.00 C ATOM 406 CG2 ILE B 32 15.917 12.320 -5.989 1.00 0.00 C ATOM 407 CD1 ILE B 32 14.341 14.636 -4.953 1.00 0.00 C ATOM 0 H ILE B 32 16.279 15.568 -8.223 1.00 0.00 H new ATOM 0 HA ILE B 32 18.052 13.924 -6.642 1.00 0.00 H new ATOM 0 HB ILE B 32 15.122 13.690 -7.434 1.00 0.00 H new ATOM 0 HG12 ILE B 32 16.486 14.804 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.706 15.769 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.957 12.167 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE B 32 16.077 11.531 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.715 12.291 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE B 32 14.207 15.447 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE B 32 13.533 14.661 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE B 32 14.326 13.681 -4.427 1.00 0.00 H new ATOM 419 N GLU B 33 17.123 12.945 -9.638 1.00 0.00 N ATOM 420 CA GLU B 33 17.337 11.935 -10.664 1.00 0.00 C ATOM 421 C GLU B 33 18.774 11.972 -11.176 1.00 0.00 C ATOM 422 O GLU B 33 19.218 11.027 -11.823 1.00 0.00 O ATOM 423 CB GLU B 33 16.348 12.152 -11.808 1.00 0.00 C ATOM 424 CG GLU B 33 14.923 11.827 -11.349 1.00 0.00 C ATOM 425 CD GLU B 33 13.898 12.088 -12.455 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.715 11.743 -12.230 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.301 12.627 -13.511 1.00 0.00 O ATOM 0 H GLU B 33 16.596 13.757 -9.959 1.00 0.00 H new ATOM 0 HA GLU B 33 17.168 10.950 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU B 33 16.400 13.185 -12.151 1.00 0.00 H new ATOM 0 HB3 GLU B 33 16.617 11.521 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.869 10.782 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.676 12.429 -10.475 1.00 0.00 H new ATOM 434 N ASP B 34 19.506 13.054 -10.892 1.00 0.00 N ATOM 435 CA ASP B 34 20.917 13.136 -11.237 1.00 0.00 C ATOM 436 C ASP B 34 21.833 12.648 -10.116 1.00 0.00 C ATOM 437 O ASP B 34 22.695 11.798 -10.344 1.00 0.00 O ATOM 438 CB ASP B 34 21.274 14.563 -11.663 1.00 0.00 C ATOM 439 CG ASP B 34 20.701 14.925 -13.035 1.00 0.00 C ATOM 440 OD1 ASP B 34 20.823 16.111 -13.405 1.00 0.00 O ATOM 441 OD2 ASP B 34 20.148 14.017 -13.696 1.00 0.00 O ATOM 0 H ASP B 34 19.139 13.882 -10.424 1.00 0.00 H new ATOM 0 HA ASP B 34 21.083 12.462 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.899 15.266 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP B 34 22.358 14.672 -11.685 1.00 0.00 H new ATOM 446 N VAL B 35 21.652 13.181 -8.900 1.00 0.00 N ATOM 447 CA VAL B 35 22.539 12.872 -7.784 1.00 0.00 C ATOM 448 C VAL B 35 22.316 11.438 -7.312 1.00 0.00 C ATOM 449 O VAL B 35 23.271 10.676 -7.178 1.00 0.00 O ATOM 450 CB VAL B 35 22.297 13.864 -6.645 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.161 13.513 -5.433 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.641 15.280 -7.106 1.00 0.00 C ATOM 0 H VAL B 35 20.898 13.828 -8.670 1.00 0.00 H new ATOM 0 HA VAL B 35 23.575 12.962 -8.112 1.00 0.00 H new ATOM 0 HB VAL B 35 21.245 13.810 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL B 35 22.975 14.230 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.911 12.510 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.214 13.548 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.466 15.981 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.689 15.322 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.013 15.549 -7.956 1.00 0.00 H new ATOM 462 N PHE B 36 21.064 11.052 -7.052 1.00 0.00 N ATOM 463 CA PHE B 36 20.796 9.715 -6.553 1.00 0.00 C ATOM 464 C PHE B 36 21.080 8.636 -7.588 1.00 0.00 C ATOM 465 O PHE B 36 21.479 7.530 -7.229 1.00 0.00 O ATOM 466 CB PHE B 36 19.389 9.613 -5.972 1.00 0.00 C ATOM 467 CG PHE B 36 19.223 10.331 -4.654 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.146 11.730 -4.620 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.149 9.597 -3.462 1.00 0.00 C ATOM 470 CE1 PHE B 36 18.990 12.395 -3.398 1.00 0.00 C ATOM 471 CE2 PHE B 36 18.995 10.265 -2.238 1.00 0.00 C ATOM 472 CZ PHE B 36 18.918 11.661 -2.204 1.00 0.00 C ATOM 0 H PHE B 36 20.239 11.639 -7.178 1.00 0.00 H new ATOM 0 HA PHE B 36 21.495 9.531 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.678 10.022 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.137 8.561 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.207 12.296 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.210 8.519 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE B 36 18.925 13.473 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE B 36 18.936 9.700 -1.320 1.00 0.00 H new ATOM 0 HZ PHE B 36 18.803 12.173 -1.260 1.00 0.00 H new ATOM 482 N SER B 37 20.882 8.954 -8.871 1.00 0.00 N ATOM 483 CA SER B 37 21.182 8.017 -9.946 1.00 0.00 C ATOM 484 C SER B 37 22.685 7.759 -10.028 1.00 0.00 C ATOM 485 O SER B 37 23.106 6.677 -10.439 1.00 0.00 O ATOM 486 CB SER B 37 20.656 8.572 -11.265 1.00 0.00 C ATOM 487 OG SER B 37 20.975 7.693 -12.323 1.00 0.00 O ATOM 0 H SER B 37 20.516 9.853 -9.185 1.00 0.00 H new ATOM 0 HA SER B 37 20.690 7.066 -9.740 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.576 8.707 -11.207 1.00 0.00 H new ATOM 0 HB3 SER B 37 21.090 9.554 -11.454 1.00 0.00 H new ATOM 0 HG SER B 37 20.632 8.057 -13.166 1.00 0.00 H new ATOM 493 N LYS B 38 23.504 8.742 -9.634 1.00 0.00 N ATOM 494 CA LYS B 38 24.946 8.551 -9.565 1.00 0.00 C ATOM 495 C LYS B 38 25.300 7.627 -8.397 1.00 0.00 C ATOM 496 O LYS B 38 26.282 6.893 -8.466 1.00 0.00 O ATOM 497 CB LYS B 38 25.624 9.919 -9.422 1.00 0.00 C ATOM 498 CG LYS B 38 27.143 9.773 -9.315 1.00 0.00 C ATOM 499 CD LYS B 38 27.786 11.159 -9.241 1.00 0.00 C ATOM 500 CE LYS B 38 29.302 11.042 -9.071 1.00 0.00 C ATOM 501 NZ LYS B 38 29.923 10.353 -10.216 1.00 0.00 N ATOM 0 H LYS B 38 23.188 9.672 -9.360 1.00 0.00 H new ATOM 0 HA LYS B 38 25.304 8.077 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS B 38 25.375 10.543 -10.280 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.241 10.427 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.402 9.193 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.528 9.228 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS B 38 27.559 11.720 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.363 11.718 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS B 38 29.735 12.037 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS B 38 29.525 10.498 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.954 10.482 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 29.699 9.338 -10.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 29.554 10.752 -11.103 1.00 0.00 H new ATOM 515 N TYR B 39 24.500 7.660 -7.325 1.00 0.00 N ATOM 516 CA TYR B 39 24.690 6.772 -6.185 1.00 0.00 C ATOM 517 C TYR B 39 24.173 5.343 -6.361 1.00 0.00 C ATOM 518 O TYR B 39 24.616 4.442 -5.645 1.00 0.00 O ATOM 519 CB TYR B 39 24.156 7.406 -4.901 1.00 0.00 C ATOM 520 CG TYR B 39 25.115 8.371 -4.246 1.00 0.00 C ATOM 521 CD1 TYR B 39 26.114 7.881 -3.393 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.006 9.749 -4.482 1.00 0.00 C ATOM 523 CE1 TYR B 39 27.013 8.768 -2.782 1.00 0.00 C ATOM 524 CE2 TYR B 39 25.904 10.639 -3.880 1.00 0.00 C ATOM 525 CZ TYR B 39 26.914 10.152 -3.027 1.00 0.00 C ATOM 526 OH TYR B 39 27.786 11.020 -2.439 1.00 0.00 O ATOM 0 H TYR B 39 23.711 8.299 -7.229 1.00 0.00 H new ATOM 0 HA TYR B 39 25.771 6.653 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.227 7.930 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.912 6.615 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR B 39 26.192 6.820 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR B 39 24.228 10.125 -5.130 1.00 0.00 H new ATOM 0 HE1 TYR B 39 27.781 8.390 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR B 39 25.822 11.699 -4.070 1.00 0.00 H new ATOM 0 HH TYR B 39 27.575 11.935 -2.718 1.00 0.00 H new ATOM 536 N GLY B 40 23.247 5.113 -7.297 1.00 0.00 N ATOM 537 CA GLY B 40 22.706 3.780 -7.523 1.00 0.00 C ATOM 538 C GLY B 40 21.500 3.796 -8.454 1.00 0.00 C ATOM 539 O GLY B 40 21.117 4.841 -8.971 1.00 0.00 O ATOM 0 H GLY B 40 22.861 5.834 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.482 3.143 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.419 3.340 -6.568 1.00 0.00 H new ATOM 543 N ALA B 41 20.905 2.619 -8.667 1.00 0.00 N ATOM 544 CA ALA B 41 19.755 2.464 -9.543 1.00 0.00 C ATOM 545 C ALA B 41 18.460 2.785 -8.796 1.00 0.00 C ATOM 546 O ALA B 41 17.901 1.932 -8.109 1.00 0.00 O ATOM 547 CB ALA B 41 19.733 1.034 -10.083 1.00 0.00 C ATOM 0 H ALA B 41 21.213 1.749 -8.233 1.00 0.00 H new ATOM 0 HA ALA B 41 19.834 3.163 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.874 0.907 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.649 0.842 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.660 0.332 -9.252 1.00 0.00 H new ATOM 553 N ILE B 42 17.982 4.024 -8.932 1.00 0.00 N ATOM 554 CA ILE B 42 16.707 4.444 -8.363 1.00 0.00 C ATOM 555 C ILE B 42 15.553 3.989 -9.258 1.00 0.00 C ATOM 556 O ILE B 42 15.704 3.885 -10.474 1.00 0.00 O ATOM 557 CB ILE B 42 16.707 5.972 -8.178 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.442 6.363 -6.894 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.284 6.527 -8.068 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.915 5.980 -6.952 1.00 0.00 C ATOM 0 H ILE B 42 18.470 4.761 -9.440 1.00 0.00 H new ATOM 0 HA ILE B 42 16.570 3.979 -7.387 1.00 0.00 H new ATOM 0 HB ILE B 42 17.205 6.387 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.351 7.437 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE B 42 16.972 5.873 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.324 7.608 -7.938 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.730 6.291 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.783 6.077 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.404 6.273 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE B 42 19.006 4.902 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE B 42 19.391 6.490 -7.789 1.00 0.00 H new ATOM 572 N ARG B 43 14.396 3.722 -8.647 1.00 0.00 N ATOM 573 CA ARG B 43 13.179 3.336 -9.353 1.00 0.00 C ATOM 574 C ARG B 43 12.086 4.392 -9.194 1.00 0.00 C ATOM 575 O ARG B 43 11.304 4.605 -10.116 1.00 0.00 O ATOM 576 CB ARG B 43 12.686 1.997 -8.817 1.00 0.00 C ATOM 577 CG ARG B 43 13.554 0.852 -9.334 1.00 0.00 C ATOM 578 CD ARG B 43 13.204 -0.440 -8.598 1.00 0.00 C ATOM 579 NE ARG B 43 11.759 -0.707 -8.637 1.00 0.00 N ATOM 580 CZ ARG B 43 10.966 -0.655 -7.560 1.00 0.00 C ATOM 581 NH1 ARG B 43 11.462 -0.363 -6.361 1.00 0.00 N ATOM 582 NH2 ARG B 43 9.665 -0.898 -7.684 1.00 0.00 N ATOM 0 H ARG B 43 14.280 3.769 -7.635 1.00 0.00 H new ATOM 0 HA ARG B 43 13.410 3.249 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.703 2.008 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.650 1.839 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG B 43 13.401 0.723 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.608 1.089 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG B 43 13.742 -1.274 -9.049 1.00 0.00 H new ATOM 0 HD3 ARG B 43 13.535 -0.371 -7.562 1.00 0.00 H new ATOM 0 HE ARG B 43 11.337 -0.945 -9.535 1.00 0.00 H new ATOM 0 HH11 ARG B 43 12.459 -0.175 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.846 -0.327 -5.549 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.273 -1.123 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.059 -0.859 -6.865 1.00 0.00 H new ATOM 596 N ASP B 44 12.035 5.052 -8.031 1.00 0.00 N ATOM 597 CA ASP B 44 10.995 6.025 -7.724 1.00 0.00 C ATOM 598 C ASP B 44 11.463 7.182 -6.847 1.00 0.00 C ATOM 599 O ASP B 44 12.435 7.054 -6.105 1.00 0.00 O ATOM 600 CB ASP B 44 9.771 5.331 -7.112 1.00 0.00 C ATOM 601 CG ASP B 44 8.903 4.635 -8.160 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.472 3.493 -7.881 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.676 5.251 -9.227 1.00 0.00 O ATOM 0 H ASP B 44 12.715 4.923 -7.282 1.00 0.00 H new ATOM 0 HA ASP B 44 10.717 6.476 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.104 4.598 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.170 6.067 -6.579 1.00 0.00 H new ATOM 608 N ILE B 45 10.755 8.310 -6.944 1.00 0.00 N ATOM 609 CA ILE B 45 11.017 9.500 -6.142 1.00 0.00 C ATOM 610 C ILE B 45 9.683 10.054 -5.642 1.00 0.00 C ATOM 611 O ILE B 45 8.660 9.894 -6.305 1.00 0.00 O ATOM 612 CB ILE B 45 11.772 10.548 -6.975 1.00 0.00 C ATOM 613 CG1 ILE B 45 13.179 10.061 -7.358 1.00 0.00 C ATOM 614 CG2 ILE B 45 11.922 11.846 -6.176 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.180 9.453 -8.760 1.00 0.00 C ATOM 0 H ILE B 45 9.974 8.420 -7.591 1.00 0.00 H new ATOM 0 HA ILE B 45 11.644 9.245 -5.288 1.00 0.00 H new ATOM 0 HB ILE B 45 11.191 10.716 -7.882 1.00 0.00 H new ATOM 0 HG12 ILE B 45 13.881 10.894 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE B 45 13.522 9.320 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE B 45 12.458 12.582 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE B 45 10.935 12.234 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.480 11.647 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.186 9.115 -9.009 1.00 0.00 H new ATOM 0 HD12 ILE B 45 12.495 8.606 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE B 45 12.860 10.204 -9.482 1.00 0.00 H new ATOM 627 N ASP B 46 9.690 10.707 -4.476 1.00 0.00 N ATOM 628 CA ASP B 46 8.482 11.292 -3.912 1.00 0.00 C ATOM 629 C ASP B 46 8.769 12.666 -3.302 1.00 0.00 C ATOM 630 O ASP B 46 8.382 12.945 -2.167 1.00 0.00 O ATOM 631 CB ASP B 46 7.875 10.332 -2.890 1.00 0.00 C ATOM 632 CG ASP B 46 6.577 10.888 -2.295 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.317 10.583 -1.111 1.00 0.00 O ATOM 634 OD2 ASP B 46 5.861 11.606 -3.028 1.00 0.00 O ATOM 0 H ASP B 46 10.525 10.841 -3.906 1.00 0.00 H new ATOM 0 HA ASP B 46 7.755 11.447 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.676 9.372 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.593 10.149 -2.091 1.00 0.00 H new ATOM 639 N LEU B 47 9.456 13.529 -4.054 1.00 0.00 N ATOM 640 CA LEU B 47 9.670 14.903 -3.631 1.00 0.00 C ATOM 641 C LEU B 47 8.328 15.626 -3.541 1.00 0.00 C ATOM 642 O LEU B 47 7.575 15.671 -4.516 1.00 0.00 O ATOM 643 CB LEU B 47 10.614 15.595 -4.623 1.00 0.00 C ATOM 644 CG LEU B 47 10.714 17.104 -4.370 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.355 17.390 -3.012 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.569 17.738 -5.462 1.00 0.00 C ATOM 0 H LEU B 47 9.870 13.295 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 47 10.132 14.926 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.606 15.149 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.261 15.421 -5.640 1.00 0.00 H new ATOM 0 HG LEU B 47 9.708 17.523 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.414 18.467 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU B 47 10.751 16.943 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.358 16.964 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.644 18.811 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.566 17.297 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.109 17.559 -6.434 1.00 0.00 H new ATOM 658 N LYS B 48 8.032 16.198 -2.371 1.00 0.00 N ATOM 659 CA LYS B 48 6.802 16.950 -2.155 1.00 0.00 C ATOM 660 C LYS B 48 7.001 18.009 -1.075 1.00 0.00 C ATOM 661 O LYS B 48 7.947 17.935 -0.294 1.00 0.00 O ATOM 662 CB LYS B 48 5.662 15.992 -1.790 1.00 0.00 C ATOM 663 CG LYS B 48 5.983 15.206 -0.517 1.00 0.00 C ATOM 664 CD LYS B 48 4.852 14.214 -0.238 1.00 0.00 C ATOM 665 CE LYS B 48 5.183 13.368 0.991 1.00 0.00 C ATOM 666 NZ LYS B 48 6.408 12.572 0.777 1.00 0.00 N ATOM 0 H LYS B 48 8.638 16.151 -1.552 1.00 0.00 H new ATOM 0 HA LYS B 48 6.535 17.466 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.741 16.557 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.488 15.299 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.928 14.675 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.101 15.888 0.325 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.918 14.752 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.703 13.568 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.314 14.016 1.857 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.348 12.703 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.471 11.830 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.376 12.132 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 7.241 13.192 0.842 1.00 0.00 H new ATOM 680 N ASN B 49 6.105 18.999 -1.037 1.00 0.00 N ATOM 681 CA ASN B 49 6.211 20.104 -0.097 1.00 0.00 C ATOM 682 C ASN B 49 5.942 19.636 1.334 1.00 0.00 C ATOM 683 O ASN B 49 5.302 18.606 1.553 1.00 0.00 O ATOM 684 CB ASN B 49 5.248 21.222 -0.508 1.00 0.00 C ATOM 685 CG ASN B 49 3.796 20.758 -0.503 1.00 0.00 C ATOM 686 OD1 ASN B 49 3.223 20.514 0.552 1.00 0.00 O ATOM 687 ND2 ASN B 49 3.198 20.638 -1.685 1.00 0.00 N ATOM 0 H ASN B 49 5.294 19.052 -1.654 1.00 0.00 H new ATOM 0 HA ASN B 49 7.229 20.493 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN B 49 5.361 22.066 0.173 1.00 0.00 H new ATOM 0 HB3 ASN B 49 5.511 21.579 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN B 49 2.226 20.333 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN B 49 3.711 20.851 -2.540 1.00 0.00 H new ATOM 694 N ARG B 50 6.438 20.407 2.306 1.00 0.00 N ATOM 695 CA ARG B 50 6.244 20.130 3.723 1.00 0.00 C ATOM 696 C ARG B 50 5.068 20.954 4.241 1.00 0.00 C ATOM 697 O ARG B 50 5.260 21.968 4.908 1.00 0.00 O ATOM 698 CB ARG B 50 7.542 20.463 4.458 1.00 0.00 C ATOM 699 CG ARG B 50 7.454 20.190 5.960 1.00 0.00 C ATOM 700 CD ARG B 50 8.697 20.764 6.635 1.00 0.00 C ATOM 701 NE ARG B 50 9.918 20.177 6.070 1.00 0.00 N ATOM 702 CZ ARG B 50 10.705 19.324 6.729 1.00 0.00 C ATOM 703 NH1 ARG B 50 10.417 18.966 7.975 1.00 0.00 N ATOM 704 NH2 ARG B 50 11.786 18.824 6.143 1.00 0.00 N ATOM 0 H ARG B 50 6.989 21.246 2.125 1.00 0.00 H new ATOM 0 HA ARG B 50 6.009 19.079 3.892 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.357 19.877 4.033 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.787 21.513 4.297 1.00 0.00 H new ATOM 0 HG2 ARG B 50 6.555 20.645 6.375 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.384 19.118 6.146 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.717 21.846 6.509 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.657 20.569 7.707 1.00 0.00 H new ATOM 0 HE ARG B 50 10.180 20.436 5.119 1.00 0.00 H new ATOM 0 HH11 ARG B 50 9.589 19.343 8.436 1.00 0.00 H new ATOM 0 HH12 ARG B 50 11.024 18.314 8.471 1.00 0.00 H new ATOM 0 HH21 ARG B 50 12.017 19.091 5.186 1.00 0.00 H new ATOM 0 HH22 ARG B 50 12.385 18.172 6.649 1.00 0.00 H new ATOM 718 N ARG B 51 3.842 20.520 3.933 1.00 0.00 N ATOM 719 CA ARG B 51 2.633 21.272 4.257 1.00 0.00 C ATOM 720 C ARG B 51 2.703 22.679 3.652 1.00 0.00 C ATOM 721 O ARG B 51 2.082 23.610 4.164 1.00 0.00 O ATOM 722 CB ARG B 51 2.417 21.327 5.777 1.00 0.00 C ATOM 723 CG ARG B 51 2.648 19.981 6.474 1.00 0.00 C ATOM 724 CD ARG B 51 1.797 18.868 5.854 1.00 0.00 C ATOM 725 NE ARG B 51 1.774 17.676 6.718 1.00 0.00 N ATOM 726 CZ ARG B 51 2.838 16.912 7.000 1.00 0.00 C ATOM 727 NH1 ARG B 51 4.026 17.163 6.453 1.00 0.00 N ATOM 728 NH2 ARG B 51 2.709 15.886 7.834 1.00 0.00 N ATOM 0 H ARG B 51 3.663 19.638 3.453 1.00 0.00 H new ATOM 0 HA ARG B 51 1.776 20.759 3.821 1.00 0.00 H new ATOM 0 HB2 ARG B 51 3.090 22.070 6.205 1.00 0.00 H new ATOM 0 HB3 ARG B 51 1.400 21.663 5.980 1.00 0.00 H new ATOM 0 HG2 ARG B 51 3.702 19.713 6.407 1.00 0.00 H new ATOM 0 HG3 ARG B 51 2.409 20.074 7.533 1.00 0.00 H new ATOM 0 HD2 ARG B 51 0.780 19.228 5.698 1.00 0.00 H new ATOM 0 HD3 ARG B 51 2.196 18.604 4.875 1.00 0.00 H new ATOM 0 HE ARG B 51 0.881 17.412 7.133 1.00 0.00 H new ATOM 0 HH11 ARG B 51 4.136 17.946 5.809 1.00 0.00 H new ATOM 0 HH12 ARG B 51 4.826 16.572 6.678 1.00 0.00 H new ATOM 0 HH21 ARG B 51 1.803 15.683 8.256 1.00 0.00 H new ATOM 0 HH22 ARG B 51 3.516 15.301 8.052 1.00 0.00 H new ATOM 742 N GLY B 52 3.463 22.835 2.559 1.00 0.00 N ATOM 743 CA GLY B 52 3.677 24.117 1.896 1.00 0.00 C ATOM 744 C GLY B 52 5.017 24.748 2.298 1.00 0.00 C ATOM 745 O GLY B 52 5.434 25.742 1.708 1.00 0.00 O ATOM 0 H GLY B 52 3.950 22.060 2.109 1.00 0.00 H new ATOM 0 HA2 GLY B 52 3.651 23.977 0.815 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.864 24.798 2.149 1.00 0.00 H new ATOM 749 N GLY B 53 5.691 24.167 3.297 1.00 0.00 N ATOM 750 CA GLY B 53 7.003 24.614 3.739 1.00 0.00 C ATOM 751 C GLY B 53 8.113 23.959 2.920 1.00 0.00 C ATOM 752 O GLY B 53 7.842 23.341 1.890 1.00 0.00 O ATOM 0 H GLY B 53 5.333 23.368 3.821 1.00 0.00 H new ATOM 0 HA2 GLY B 53 7.071 25.698 3.647 1.00 0.00 H new ATOM 0 HA3 GLY B 53 7.136 24.374 4.794 1.00 0.00 H new ATOM 756 N PRO B 54 9.367 24.086 3.371 1.00 0.00 N ATOM 757 CA PRO B 54 10.536 23.541 2.701 1.00 0.00 C ATOM 758 C PRO B 54 10.355 22.050 2.412 1.00 0.00 C ATOM 759 O PRO B 54 10.185 21.263 3.343 1.00 0.00 O ATOM 760 CB PRO B 54 11.706 23.792 3.653 1.00 0.00 C ATOM 761 CG PRO B 54 11.247 24.977 4.504 1.00 0.00 C ATOM 762 CD PRO B 54 9.731 24.809 4.573 1.00 0.00 C ATOM 0 HA PRO B 54 10.706 24.012 1.733 1.00 0.00 H new ATOM 0 HB2 PRO B 54 11.914 22.917 4.268 1.00 0.00 H new ATOM 0 HB3 PRO B 54 12.621 24.024 3.108 1.00 0.00 H new ATOM 0 HG2 PRO B 54 11.698 24.955 5.496 1.00 0.00 H new ATOM 0 HG3 PRO B 54 11.524 25.928 4.049 1.00 0.00 H new ATOM 0 HD2 PRO B 54 9.437 24.258 5.467 1.00 0.00 H new ATOM 0 HD3 PRO B 54 9.230 25.776 4.616 1.00 0.00 H new ATOM 770 N PRO B 55 10.390 21.651 1.131 1.00 0.00 N ATOM 771 CA PRO B 55 10.110 20.292 0.692 1.00 0.00 C ATOM 772 C PRO B 55 10.995 19.234 1.354 1.00 0.00 C ATOM 773 O PRO B 55 12.039 19.542 1.928 1.00 0.00 O ATOM 774 CB PRO B 55 10.324 20.294 -0.825 1.00 0.00 C ATOM 775 CG PRO B 55 10.169 21.757 -1.229 1.00 0.00 C ATOM 776 CD PRO B 55 10.652 22.520 0.000 1.00 0.00 C ATOM 0 HA PRO B 55 9.094 20.020 0.978 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.310 19.912 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO B 55 9.593 19.663 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO B 55 10.766 21.995 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO B 55 9.134 21.999 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO B 55 11.714 22.753 -0.077 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.124 23.468 0.104 1.00 0.00 H new ATOM 784 N PHE B 56 10.557 17.976 1.262 1.00 0.00 N ATOM 785 CA PHE B 56 11.298 16.819 1.736 1.00 0.00 C ATOM 786 C PHE B 56 10.912 15.699 0.770 1.00 0.00 C ATOM 787 O PHE B 56 9.923 15.816 0.046 1.00 0.00 O ATOM 788 CB PHE B 56 10.868 16.492 3.173 1.00 0.00 C ATOM 789 CG PHE B 56 9.578 15.705 3.297 1.00 0.00 C ATOM 790 CD1 PHE B 56 9.615 14.382 3.764 1.00 0.00 C ATOM 791 CD2 PHE B 56 8.347 16.296 2.969 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.424 13.668 3.939 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.158 15.569 3.125 1.00 0.00 C ATOM 794 CZ PHE B 56 7.196 14.255 3.615 1.00 0.00 C ATOM 0 H PHE B 56 9.657 17.735 0.846 1.00 0.00 H new ATOM 0 HA PHE B 56 12.377 16.974 1.759 1.00 0.00 H new ATOM 0 HB2 PHE B 56 11.667 15.928 3.655 1.00 0.00 H new ATOM 0 HB3 PHE B 56 10.760 17.426 3.724 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.563 13.915 3.988 1.00 0.00 H new ATOM 0 HD2 PHE B 56 8.316 17.309 2.597 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.453 12.660 4.326 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.212 16.021 2.868 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.280 13.698 3.742 1.00 0.00 H new ATOM 804 N ALA B 57 11.683 14.610 0.742 1.00 0.00 N ATOM 805 CA ALA B 57 11.472 13.597 -0.277 1.00 0.00 C ATOM 806 C ALA B 57 11.846 12.198 0.197 1.00 0.00 C ATOM 807 O ALA B 57 12.545 12.026 1.194 1.00 0.00 O ATOM 808 CB ALA B 57 12.306 13.967 -1.506 1.00 0.00 C ATOM 0 H ALA B 57 12.439 14.415 1.398 1.00 0.00 H new ATOM 0 HA ALA B 57 10.409 13.573 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.161 13.217 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA B 57 11.992 14.942 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.360 14.006 -1.232 1.00 0.00 H new ATOM 814 N PHE B 58 11.363 11.203 -0.549 1.00 0.00 N ATOM 815 CA PHE B 58 11.780 9.821 -0.414 1.00 0.00 C ATOM 816 C PHE B 58 12.326 9.332 -1.751 1.00 0.00 C ATOM 817 O PHE B 58 11.961 9.856 -2.802 1.00 0.00 O ATOM 818 CB PHE B 58 10.613 8.945 0.050 1.00 0.00 C ATOM 819 CG PHE B 58 10.061 9.323 1.406 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.773 8.992 2.566 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.843 10.007 1.505 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.271 9.351 3.827 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.354 10.388 2.760 1.00 0.00 C ATOM 824 CZ PHE B 58 9.065 10.058 3.924 1.00 0.00 C ATOM 0 H PHE B 58 10.660 11.345 -1.274 1.00 0.00 H new ATOM 0 HA PHE B 58 12.563 9.753 0.341 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.812 9.005 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.941 7.906 0.080 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.710 8.460 2.490 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.281 10.241 0.613 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.814 9.083 4.721 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.427 10.937 2.833 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.684 10.348 4.892 1.00 0.00 H new ATOM 834 N VAL B 59 13.202 8.327 -1.711 1.00 0.00 N ATOM 835 CA VAL B 59 13.814 7.778 -2.912 1.00 0.00 C ATOM 836 C VAL B 59 13.887 6.269 -2.763 1.00 0.00 C ATOM 837 O VAL B 59 14.318 5.773 -1.726 1.00 0.00 O ATOM 838 CB VAL B 59 15.214 8.370 -3.086 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.930 7.679 -4.244 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.137 9.869 -3.376 1.00 0.00 C ATOM 0 H VAL B 59 13.503 7.876 -0.847 1.00 0.00 H new ATOM 0 HA VAL B 59 13.223 8.028 -3.793 1.00 0.00 H new ATOM 0 HB VAL B 59 15.766 8.213 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL B 59 16.926 8.105 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.014 6.613 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.361 7.825 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.144 10.269 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.570 10.034 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.642 10.375 -2.547 1.00 0.00 H new ATOM 850 N GLU B 60 13.465 5.536 -3.796 1.00 0.00 N ATOM 851 CA GLU B 60 13.380 4.090 -3.721 1.00 0.00 C ATOM 852 C GLU B 60 14.316 3.429 -4.725 1.00 0.00 C ATOM 853 O GLU B 60 14.348 3.802 -5.897 1.00 0.00 O ATOM 854 CB GLU B 60 11.930 3.649 -3.910 1.00 0.00 C ATOM 855 CG GLU B 60 11.828 2.122 -3.883 1.00 0.00 C ATOM 856 CD GLU B 60 10.379 1.651 -3.789 1.00 0.00 C ATOM 857 OE1 GLU B 60 10.153 0.456 -4.087 1.00 0.00 O ATOM 858 OE2 GLU B 60 9.517 2.484 -3.423 1.00 0.00 O ATOM 0 H GLU B 60 13.178 5.929 -4.693 1.00 0.00 H new ATOM 0 HA GLU B 60 13.707 3.765 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.308 4.075 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.549 4.028 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.286 1.711 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.391 1.735 -3.034 1.00 0.00 H new ATOM 865 N PHE B 61 15.071 2.440 -4.246 1.00 0.00 N ATOM 866 CA PHE B 61 16.090 1.748 -5.030 1.00 0.00 C ATOM 867 C PHE B 61 15.646 0.415 -5.623 1.00 0.00 C ATOM 868 O PHE B 61 14.672 -0.183 -5.165 1.00 0.00 O ATOM 869 CB PHE B 61 17.370 1.596 -4.203 1.00 0.00 C ATOM 870 CG PHE B 61 18.136 2.886 -4.022 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.343 3.089 -4.705 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.638 3.881 -3.167 1.00 0.00 C ATOM 873 CE1 PHE B 61 20.050 4.286 -4.535 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.343 5.080 -3.003 1.00 0.00 C ATOM 875 CZ PHE B 61 19.547 5.283 -3.688 1.00 0.00 C ATOM 0 H PHE B 61 14.990 2.094 -3.290 1.00 0.00 H new ATOM 0 HA PHE B 61 16.283 2.378 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.112 1.197 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.018 0.864 -4.685 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.728 2.323 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.711 3.722 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE B 61 20.983 4.441 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE B 61 17.958 5.848 -2.348 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.089 6.209 -3.564 1.00 0.00 H new ATOM 885 N GLU B 62 16.367 -0.050 -6.647 1.00 0.00 N ATOM 886 CA GLU B 62 16.178 -1.380 -7.206 1.00 0.00 C ATOM 887 C GLU B 62 16.922 -2.424 -6.364 1.00 0.00 C ATOM 888 O GLU B 62 16.645 -3.621 -6.458 1.00 0.00 O ATOM 889 CB GLU B 62 16.682 -1.374 -8.654 1.00 0.00 C ATOM 890 CG GLU B 62 16.537 -2.748 -9.310 1.00 0.00 C ATOM 891 CD GLU B 62 16.866 -2.711 -10.803 1.00 0.00 C ATOM 892 OE1 GLU B 62 16.848 -3.806 -11.413 1.00 0.00 O ATOM 893 OE2 GLU B 62 17.130 -1.604 -11.320 1.00 0.00 O ATOM 0 H GLU B 62 17.098 0.491 -7.109 1.00 0.00 H new ATOM 0 HA GLU B 62 15.121 -1.646 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.125 -0.635 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.729 -1.070 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.196 -3.458 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU B 62 15.518 -3.109 -9.173 1.00 0.00 H new ATOM 900 N ASP B 63 17.866 -1.964 -5.539 1.00 0.00 N ATOM 901 CA ASP B 63 18.676 -2.836 -4.697 1.00 0.00 C ATOM 902 C ASP B 63 19.125 -2.059 -3.459 1.00 0.00 C ATOM 903 O ASP B 63 19.796 -1.033 -3.590 1.00 0.00 O ATOM 904 CB ASP B 63 19.862 -3.341 -5.530 1.00 0.00 C ATOM 905 CG ASP B 63 20.822 -4.238 -4.749 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.630 -4.385 -3.523 1.00 0.00 O ATOM 907 OD2 ASP B 63 21.748 -4.772 -5.399 1.00 0.00 O ATOM 0 H ASP B 63 18.088 -0.973 -5.439 1.00 0.00 H new ATOM 0 HA ASP B 63 18.108 -3.700 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.482 -3.892 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.413 -2.484 -5.918 1.00 0.00 H new ATOM 912 N PRO B 64 18.766 -2.525 -2.252 1.00 0.00 N ATOM 913 CA PRO B 64 19.057 -1.822 -1.010 1.00 0.00 C ATOM 914 C PRO B 64 20.558 -1.746 -0.735 1.00 0.00 C ATOM 915 O PRO B 64 20.984 -0.969 0.118 1.00 0.00 O ATOM 916 CB PRO B 64 18.329 -2.605 0.084 1.00 0.00 C ATOM 917 CG PRO B 64 18.167 -4.006 -0.505 1.00 0.00 C ATOM 918 CD PRO B 64 18.044 -3.756 -2.006 1.00 0.00 C ATOM 0 HA PRO B 64 18.721 -0.786 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO B 64 18.905 -2.626 1.009 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.363 -2.157 0.319 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.024 -4.639 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.284 -4.507 -0.109 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.469 -4.581 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.000 -3.665 -2.305 1.00 0.00 H new ATOM 926 N ARG B 65 21.366 -2.540 -1.445 1.00 0.00 N ATOM 927 CA ARG B 65 22.813 -2.487 -1.296 1.00 0.00 C ATOM 928 C ARG B 65 23.371 -1.205 -1.908 1.00 0.00 C ATOM 929 O ARG B 65 24.446 -0.750 -1.512 1.00 0.00 O ATOM 930 CB ARG B 65 23.445 -3.715 -1.954 1.00 0.00 C ATOM 931 CG ARG B 65 22.956 -4.991 -1.263 1.00 0.00 C ATOM 932 CD ARG B 65 23.556 -6.223 -1.944 1.00 0.00 C ATOM 933 NE ARG B 65 23.167 -6.291 -3.355 1.00 0.00 N ATOM 934 CZ ARG B 65 23.661 -7.174 -4.224 1.00 0.00 C ATOM 935 NH1 ARG B 65 24.540 -8.093 -3.830 1.00 0.00 N ATOM 936 NH2 ARG B 65 23.269 -7.135 -5.493 1.00 0.00 N ATOM 0 H ARG B 65 21.037 -3.224 -2.126 1.00 0.00 H new ATOM 0 HA ARG B 65 23.058 -2.488 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.187 -3.743 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG B 65 24.531 -3.652 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG B 65 23.238 -4.974 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG B 65 21.868 -5.039 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG B 65 24.643 -6.192 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG B 65 23.224 -7.124 -1.429 1.00 0.00 H new ATOM 0 HE ARG B 65 22.476 -5.622 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG B 65 24.841 -8.126 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG B 65 24.912 -8.764 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG B 65 22.594 -6.433 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG B 65 23.643 -7.807 -6.163 1.00 0.00 H new ATOM 950 N ASP B 66 22.645 -0.620 -2.870 1.00 0.00 N ATOM 951 CA ASP B 66 23.029 0.650 -3.470 1.00 0.00 C ATOM 952 C ASP B 66 22.464 1.820 -2.668 1.00 0.00 C ATOM 953 O ASP B 66 23.029 2.915 -2.668 1.00 0.00 O ATOM 954 CB ASP B 66 22.550 0.711 -4.924 1.00 0.00 C ATOM 955 CG ASP B 66 23.210 -0.345 -5.809 1.00 0.00 C ATOM 956 OD1 ASP B 66 24.103 -1.062 -5.306 1.00 0.00 O ATOM 957 OD2 ASP B 66 22.809 -0.419 -6.993 1.00 0.00 O ATOM 0 H ASP B 66 21.783 -1.015 -3.247 1.00 0.00 H new ATOM 0 HA ASP B 66 24.116 0.726 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.469 0.577 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.759 1.701 -5.330 1.00 0.00 H new ATOM 962 N ALA B 67 21.343 1.587 -1.978 1.00 0.00 N ATOM 963 CA ALA B 67 20.732 2.604 -1.138 1.00 0.00 C ATOM 964 C ALA B 67 21.623 2.896 0.065 1.00 0.00 C ATOM 965 O ALA B 67 21.565 3.983 0.636 1.00 0.00 O ATOM 966 CB ALA B 67 19.363 2.108 -0.677 1.00 0.00 C ATOM 0 H ALA B 67 20.844 0.697 -1.990 1.00 0.00 H new ATOM 0 HA ALA B 67 20.612 3.527 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA B 67 18.896 2.864 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.732 1.921 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA B 67 19.483 1.185 -0.110 1.00 0.00 H new ATOM 972 N GLU B 68 22.450 1.921 0.453 1.00 0.00 N ATOM 973 CA GLU B 68 23.372 2.084 1.562 1.00 0.00 C ATOM 974 C GLU B 68 24.486 3.062 1.193 1.00 0.00 C ATOM 975 O GLU B 68 24.997 3.767 2.060 1.00 0.00 O ATOM 976 CB GLU B 68 23.941 0.709 1.938 1.00 0.00 C ATOM 977 CG GLU B 68 24.965 0.835 3.069 1.00 0.00 C ATOM 978 CD GLU B 68 25.460 -0.531 3.544 1.00 0.00 C ATOM 979 OE1 GLU B 68 26.365 -0.535 4.409 1.00 0.00 O ATOM 980 OE2 GLU B 68 24.936 -1.553 3.050 1.00 0.00 O ATOM 0 H GLU B 68 22.493 1.005 0.006 1.00 0.00 H new ATOM 0 HA GLU B 68 22.847 2.500 2.422 1.00 0.00 H new ATOM 0 HB2 GLU B 68 23.131 0.047 2.246 1.00 0.00 H new ATOM 0 HB3 GLU B 68 24.410 0.254 1.066 1.00 0.00 H new ATOM 0 HG2 GLU B 68 25.812 1.429 2.727 1.00 0.00 H new ATOM 0 HG3 GLU B 68 24.517 1.370 3.906 1.00 0.00 H new ATOM 987 N ASP B 69 24.860 3.112 -0.091 1.00 0.00 N ATOM 988 CA ASP B 69 25.896 4.022 -0.555 1.00 0.00 C ATOM 989 C ASP B 69 25.395 5.459 -0.672 1.00 0.00 C ATOM 990 O ASP B 69 26.138 6.404 -0.408 1.00 0.00 O ATOM 991 CB ASP B 69 26.467 3.532 -1.889 1.00 0.00 C ATOM 992 CG ASP B 69 27.315 2.269 -1.742 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.530 1.831 -0.589 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.742 1.748 -2.796 1.00 0.00 O ATOM 0 H ASP B 69 24.455 2.529 -0.823 1.00 0.00 H new ATOM 0 HA ASP B 69 26.689 4.027 0.192 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.647 3.335 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.074 4.322 -2.331 1.00 0.00 H new ATOM 999 N ALA B 70 24.130 5.625 -1.066 1.00 0.00 N ATOM 1000 CA ALA B 70 23.508 6.933 -1.172 1.00 0.00 C ATOM 1001 C ALA B 70 23.328 7.541 0.216 1.00 0.00 C ATOM 1002 O ALA B 70 23.314 8.765 0.356 1.00 0.00 O ATOM 1003 CB ALA B 70 22.153 6.781 -1.862 1.00 0.00 C ATOM 0 H ALA B 70 23.514 4.852 -1.319 1.00 0.00 H new ATOM 0 HA ALA B 70 24.144 7.597 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.676 7.758 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.297 6.359 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.518 6.117 -1.275 1.00 0.00 H new ATOM 1009 N VAL B 71 23.192 6.686 1.233 1.00 0.00 N ATOM 1010 CA VAL B 71 23.027 7.142 2.602 1.00 0.00 C ATOM 1011 C VAL B 71 24.400 7.343 3.234 1.00 0.00 C ATOM 1012 O VAL B 71 24.627 8.349 3.903 1.00 0.00 O ATOM 1013 CB VAL B 71 22.217 6.097 3.381 1.00 0.00 C ATOM 1014 CG1 VAL B 71 22.298 6.349 4.888 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.757 6.164 2.940 1.00 0.00 C ATOM 0 H VAL B 71 23.194 5.672 1.126 1.00 0.00 H new ATOM 0 HA VAL B 71 22.492 8.091 2.625 1.00 0.00 H new ATOM 0 HB VAL B 71 22.633 5.111 3.172 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.715 5.594 5.415 1.00 0.00 H new ATOM 0 HG12 VAL B 71 23.338 6.295 5.211 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.899 7.338 5.113 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.176 5.424 3.490 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.361 7.159 3.143 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.690 5.957 1.872 1.00 0.00 H new ATOM 1025 N SER B 72 25.320 6.400 3.024 1.00 0.00 N ATOM 1026 CA SER B 72 26.635 6.460 3.645 1.00 0.00 C ATOM 1027 C SER B 72 27.439 7.649 3.119 1.00 0.00 C ATOM 1028 O SER B 72 28.373 8.105 3.775 1.00 0.00 O ATOM 1029 CB SER B 72 27.368 5.145 3.375 1.00 0.00 C ATOM 1030 OG SER B 72 28.665 5.182 3.933 1.00 0.00 O ATOM 0 H SER B 72 25.174 5.586 2.427 1.00 0.00 H new ATOM 0 HA SER B 72 26.520 6.600 4.720 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.806 4.314 3.800 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.432 4.970 2.301 1.00 0.00 H new ATOM 0 HG SER B 72 29.122 4.334 3.754 1.00 0.00 H new ATOM 1036 N GLY B 73 27.079 8.159 1.938 1.00 0.00 N ATOM 1037 CA GLY B 73 27.806 9.263 1.326 1.00 0.00 C ATOM 1038 C GLY B 73 27.256 10.634 1.723 1.00 0.00 C ATOM 1039 O GLY B 73 27.931 11.641 1.512 1.00 0.00 O ATOM 0 H GLY B 73 26.288 7.822 1.390 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.856 9.202 1.612 1.00 0.00 H new ATOM 0 HA3 GLY B 73 27.765 9.161 0.242 1.00 0.00 H new ATOM 1043 N ARG B 74 26.040 10.691 2.289 1.00 0.00 N ATOM 1044 CA ARG B 74 25.356 11.964 2.522 1.00 0.00 C ATOM 1045 C ARG B 74 24.499 11.963 3.789 1.00 0.00 C ATOM 1046 O ARG B 74 23.605 12.796 3.926 1.00 0.00 O ATOM 1047 CB ARG B 74 24.517 12.333 1.292 1.00 0.00 C ATOM 1048 CG ARG B 74 25.413 12.693 0.104 1.00 0.00 C ATOM 1049 CD ARG B 74 24.563 13.061 -1.112 1.00 0.00 C ATOM 1050 NE ARG B 74 23.849 11.884 -1.628 1.00 0.00 N ATOM 1051 CZ ARG B 74 22.607 11.910 -2.117 1.00 0.00 C ATOM 1052 NH1 ARG B 74 21.920 13.049 -2.175 1.00 0.00 N ATOM 1053 NH2 ARG B 74 22.049 10.787 -2.553 1.00 0.00 N ATOM 0 H ARG B 74 25.515 9.870 2.592 1.00 0.00 H new ATOM 0 HA ARG B 74 26.125 12.720 2.681 1.00 0.00 H new ATOM 0 HB2 ARG B 74 23.871 11.497 1.024 1.00 0.00 H new ATOM 0 HB3 ARG B 74 23.867 13.175 1.530 1.00 0.00 H new ATOM 0 HG2 ARG B 74 26.061 13.528 0.369 1.00 0.00 H new ATOM 0 HG3 ARG B 74 26.061 11.851 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.846 13.835 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG B 74 25.199 13.477 -1.893 1.00 0.00 H new ATOM 0 HE ARG B 74 24.335 10.987 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG B 74 22.342 13.916 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.972 13.054 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG B 74 22.569 9.910 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.100 10.801 -2.928 1.00 0.00 H new ATOM 1067 N ASP B 75 24.757 11.040 4.716 1.00 0.00 N ATOM 1068 CA ASP B 75 24.028 10.978 5.977 1.00 0.00 C ATOM 1069 C ASP B 75 24.371 12.130 6.927 1.00 0.00 C ATOM 1070 O ASP B 75 23.811 12.221 8.018 1.00 0.00 O ATOM 1071 CB ASP B 75 24.221 9.619 6.667 1.00 0.00 C ATOM 1072 CG ASP B 75 25.688 9.188 6.763 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.911 8.005 7.109 1.00 0.00 O ATOM 1074 OD2 ASP B 75 26.571 10.034 6.496 1.00 0.00 O ATOM 0 H ASP B 75 25.472 10.320 4.613 1.00 0.00 H new ATOM 0 HA ASP B 75 22.974 11.090 5.724 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.797 9.666 7.670 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.662 8.860 6.120 1.00 0.00 H new ATOM 1079 N GLY B 76 25.288 13.010 6.517 1.00 0.00 N ATOM 1080 CA GLY B 76 25.701 14.139 7.326 1.00 0.00 C ATOM 1081 C GLY B 76 26.875 14.857 6.679 1.00 0.00 C ATOM 1082 O GLY B 76 28.030 14.518 6.935 1.00 0.00 O ATOM 0 H GLY B 76 25.759 12.952 5.614 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.867 14.830 7.449 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.981 13.797 8.322 1.00 0.00 H new ATOM 1086 N TYR B 77 26.576 15.852 5.841 1.00 0.00 N ATOM 1087 CA TYR B 77 27.584 16.681 5.206 1.00 0.00 C ATOM 1088 C TYR B 77 27.438 18.160 5.544 1.00 0.00 C ATOM 1089 O TYR B 77 26.326 18.682 5.562 1.00 0.00 O ATOM 1090 CB TYR B 77 27.644 16.412 3.702 1.00 0.00 C ATOM 1091 CG TYR B 77 28.454 17.434 2.931 1.00 0.00 C ATOM 1092 CD1 TYR B 77 27.803 18.451 2.215 1.00 0.00 C ATOM 1093 CD2 TYR B 77 29.855 17.365 2.939 1.00 0.00 C ATOM 1094 CE1 TYR B 77 28.551 19.401 1.508 1.00 0.00 C ATOM 1095 CE2 TYR B 77 30.610 18.315 2.236 1.00 0.00 C ATOM 1096 CZ TYR B 77 29.957 19.339 1.519 1.00 0.00 C ATOM 1097 OH TYR B 77 30.691 20.265 0.841 1.00 0.00 O ATOM 0 H TYR B 77 25.620 16.101 5.587 1.00 0.00 H new ATOM 0 HA TYR B 77 28.549 16.394 5.623 1.00 0.00 H new ATOM 0 HB2 TYR B 77 28.071 15.423 3.536 1.00 0.00 H new ATOM 0 HB3 TYR B 77 26.629 16.392 3.305 1.00 0.00 H new ATOM 0 HD1 TYR B 77 26.724 18.501 2.209 1.00 0.00 H new ATOM 0 HD2 TYR B 77 30.353 16.579 3.487 1.00 0.00 H new ATOM 0 HE1 TYR B 77 28.049 20.181 0.955 1.00 0.00 H new ATOM 0 HE2 TYR B 77 31.689 18.263 2.244 1.00 0.00 H new ATOM 0 HH TYR B 77 31.645 20.074 0.956 1.00 0.00 H new ATOM 1107 N ASP B 78 28.563 18.826 5.808 1.00 0.00 N ATOM 1108 CA ASP B 78 28.591 20.221 6.220 1.00 0.00 C ATOM 1109 C ASP B 78 28.169 21.162 5.086 1.00 0.00 C ATOM 1110 O ASP B 78 28.996 21.588 4.281 1.00 0.00 O ATOM 1111 CB ASP B 78 29.996 20.561 6.746 1.00 0.00 C ATOM 1112 CG ASP B 78 30.167 22.047 7.056 1.00 0.00 C ATOM 1113 OD1 ASP B 78 29.145 22.699 7.360 1.00 0.00 O ATOM 1114 OD2 ASP B 78 31.327 22.514 6.985 1.00 0.00 O ATOM 0 H ASP B 78 29.488 18.403 5.740 1.00 0.00 H new ATOM 0 HA ASP B 78 27.865 20.366 7.020 1.00 0.00 H new ATOM 0 HB2 ASP B 78 30.192 19.981 7.648 1.00 0.00 H new ATOM 0 HB3 ASP B 78 30.739 20.261 6.007 1.00 0.00 H new ATOM 1119 N TYR B 79 26.871 21.481 5.032 1.00 0.00 N ATOM 1120 CA TYR B 79 26.312 22.380 4.037 1.00 0.00 C ATOM 1121 C TYR B 79 26.491 23.816 4.538 1.00 0.00 C ATOM 1122 O TYR B 79 27.098 24.052 5.580 1.00 0.00 O ATOM 1123 CB TYR B 79 24.825 22.057 3.900 1.00 0.00 C ATOM 1124 CG TYR B 79 24.167 22.700 2.700 1.00 0.00 C ATOM 1125 CD1 TYR B 79 24.487 22.254 1.412 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.243 23.738 2.880 1.00 0.00 C ATOM 1127 CE1 TYR B 79 23.884 22.846 0.294 1.00 0.00 C ATOM 1128 CE2 TYR B 79 22.632 24.334 1.766 1.00 0.00 C ATOM 1129 CZ TYR B 79 22.952 23.890 0.470 1.00 0.00 C ATOM 1130 OH TYR B 79 22.360 24.466 -0.614 1.00 0.00 O ATOM 0 H TYR B 79 26.180 21.115 5.687 1.00 0.00 H new ATOM 0 HA TYR B 79 26.806 22.267 3.072 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.703 20.976 3.834 1.00 0.00 H new ATOM 0 HB3 TYR B 79 24.308 22.381 4.803 1.00 0.00 H new ATOM 0 HD1 TYR B 79 25.199 21.453 1.280 1.00 0.00 H new ATOM 0 HD2 TYR B 79 23.001 24.079 3.876 1.00 0.00 H new ATOM 0 HE1 TYR B 79 24.132 22.504 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR B 79 21.917 25.132 1.903 1.00 0.00 H new ATOM 0 HH TYR B 79 21.744 25.168 -0.316 1.00 0.00 H new ATOM 1140 N ASP B 80 25.956 24.776 3.783 1.00 0.00 N ATOM 1141 CA ASP B 80 26.011 26.184 4.120 1.00 0.00 C ATOM 1142 C ASP B 80 25.174 26.518 5.355 1.00 0.00 C ATOM 1143 O ASP B 80 24.032 26.963 5.230 1.00 0.00 O ATOM 1144 CB ASP B 80 25.575 27.012 2.906 1.00 0.00 C ATOM 1145 CG ASP B 80 26.569 26.929 1.747 1.00 0.00 C ATOM 1146 OD1 ASP B 80 26.266 27.538 0.695 1.00 0.00 O ATOM 1147 OD2 ASP B 80 27.619 26.270 1.915 1.00 0.00 O ATOM 0 H ASP B 80 25.467 24.586 2.908 1.00 0.00 H new ATOM 0 HA ASP B 80 27.040 26.436 4.376 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.598 26.666 2.567 1.00 0.00 H new ATOM 0 HB3 ASP B 80 25.458 28.054 3.205 1.00 0.00 H new ATOM 1152 N GLY B 81 25.740 26.305 6.546 1.00 0.00 N ATOM 1153 CA GLY B 81 25.066 26.600 7.805 1.00 0.00 C ATOM 1154 C GLY B 81 24.141 25.462 8.245 1.00 0.00 C ATOM 1155 O GLY B 81 23.462 25.576 9.264 1.00 0.00 O ATOM 0 H GLY B 81 26.679 25.923 6.660 1.00 0.00 H new ATOM 0 HA2 GLY B 81 25.811 26.781 8.580 1.00 0.00 H new ATOM 0 HA3 GLY B 81 24.486 27.517 7.699 1.00 0.00 H new ATOM 1159 N TYR B 82 24.117 24.365 7.482 1.00 0.00 N ATOM 1160 CA TYR B 82 23.270 23.213 7.769 1.00 0.00 C ATOM 1161 C TYR B 82 23.992 21.878 7.561 1.00 0.00 C ATOM 1162 O TYR B 82 25.191 21.857 7.286 1.00 0.00 O ATOM 1163 CB TYR B 82 21.984 23.295 6.947 1.00 0.00 C ATOM 1164 CG TYR B 82 21.061 24.410 7.377 1.00 0.00 C ATOM 1165 CD1 TYR B 82 20.025 24.159 8.288 1.00 0.00 C ATOM 1166 CD2 TYR B 82 21.249 25.699 6.858 1.00 0.00 C ATOM 1167 CE1 TYR B 82 19.178 25.204 8.689 1.00 0.00 C ATOM 1168 CE2 TYR B 82 20.403 26.748 7.252 1.00 0.00 C ATOM 1169 CZ TYR B 82 19.365 26.502 8.170 1.00 0.00 C ATOM 1170 OH TYR B 82 18.539 27.515 8.561 1.00 0.00 O ATOM 0 H TYR B 82 24.689 24.255 6.645 1.00 0.00 H new ATOM 0 HA TYR B 82 23.014 23.247 8.828 1.00 0.00 H new ATOM 0 HB2 TYR B 82 22.242 23.433 5.897 1.00 0.00 H new ATOM 0 HB3 TYR B 82 21.453 22.346 7.023 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.879 23.163 8.680 1.00 0.00 H new ATOM 0 HD2 TYR B 82 22.046 25.885 6.154 1.00 0.00 H new ATOM 0 HE1 TYR B 82 18.383 25.014 9.395 1.00 0.00 H new ATOM 0 HE2 TYR B 82 20.548 27.741 6.852 1.00 0.00 H new ATOM 0 HH TYR B 82 18.804 28.345 8.112 1.00 0.00 H new ATOM 1180 N ARG B 83 23.262 20.768 7.692 1.00 0.00 N ATOM 1181 CA ARG B 83 23.820 19.438 7.492 1.00 0.00 C ATOM 1182 C ARG B 83 22.813 18.554 6.758 1.00 0.00 C ATOM 1183 O ARG B 83 21.632 18.550 7.093 1.00 0.00 O ATOM 1184 CB ARG B 83 24.211 18.848 8.850 1.00 0.00 C ATOM 1185 CG ARG B 83 24.745 17.424 8.685 1.00 0.00 C ATOM 1186 CD ARG B 83 25.241 16.887 10.028 1.00 0.00 C ATOM 1187 NE ARG B 83 24.154 16.813 11.016 1.00 0.00 N ATOM 1188 CZ ARG B 83 23.293 15.793 11.111 1.00 0.00 C ATOM 1189 NH1 ARG B 83 23.371 14.760 10.279 1.00 0.00 N ATOM 1190 NH2 ARG B 83 22.351 15.813 12.046 1.00 0.00 N ATOM 0 H ARG B 83 22.272 20.770 7.939 1.00 0.00 H new ATOM 0 HA ARG B 83 24.716 19.495 6.873 1.00 0.00 H new ATOM 0 HB2 ARG B 83 24.969 19.474 9.320 1.00 0.00 H new ATOM 0 HB3 ARG B 83 23.346 18.843 9.513 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.960 16.777 8.294 1.00 0.00 H new ATOM 0 HG3 ARG B 83 25.558 17.414 7.959 1.00 0.00 H new ATOM 0 HD2 ARG B 83 25.674 15.896 9.887 1.00 0.00 H new ATOM 0 HD3 ARG B 83 26.035 17.531 10.407 1.00 0.00 H new ATOM 0 HE ARG B 83 24.050 17.588 11.670 1.00 0.00 H new ATOM 0 HH11 ARG B 83 24.093 14.739 9.558 1.00 0.00 H new ATOM 0 HH12 ARG B 83 22.709 13.988 10.361 1.00 0.00 H new ATOM 0 HH21 ARG B 83 22.286 16.603 12.688 1.00 0.00 H new ATOM 0 HH22 ARG B 83 21.692 15.038 12.123 1.00 0.00 H new ATOM 1204 N LEU B 84 23.286 17.808 5.753 1.00 0.00 N ATOM 1205 CA LEU B 84 22.436 16.923 4.960 1.00 0.00 C ATOM 1206 C LEU B 84 21.881 15.801 5.836 1.00 0.00 C ATOM 1207 O LEU B 84 22.512 15.409 6.816 1.00 0.00 O ATOM 1208 CB LEU B 84 23.241 16.328 3.794 1.00 0.00 C ATOM 1209 CG LEU B 84 23.307 17.244 2.562 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.922 17.412 1.939 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.876 18.615 2.912 1.00 0.00 C ATOM 0 H LEU B 84 24.266 17.803 5.470 1.00 0.00 H new ATOM 0 HA LEU B 84 21.604 17.501 4.559 1.00 0.00 H new ATOM 0 HB2 LEU B 84 24.255 16.116 4.134 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.796 15.376 3.505 1.00 0.00 H new ATOM 0 HG LEU B 84 23.972 16.767 1.842 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.991 18.064 1.068 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.540 16.438 1.633 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.245 17.854 2.670 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.908 19.235 2.016 1.00 0.00 H new ATOM 0 HD22 LEU B 84 23.243 19.091 3.661 1.00 0.00 H new ATOM 0 HD23 LEU B 84 24.884 18.500 3.309 1.00 0.00 H new ATOM 1223 N ARG B 85 20.698 15.288 5.480 1.00 0.00 N ATOM 1224 CA ARG B 85 20.066 14.196 6.213 1.00 0.00 C ATOM 1225 C ARG B 85 19.531 13.139 5.256 1.00 0.00 C ATOM 1226 O ARG B 85 18.347 12.804 5.290 1.00 0.00 O ATOM 1227 CB ARG B 85 18.980 14.740 7.149 1.00 0.00 C ATOM 1228 CG ARG B 85 19.604 15.619 8.237 1.00 0.00 C ATOM 1229 CD ARG B 85 18.551 16.041 9.260 1.00 0.00 C ATOM 1230 NE ARG B 85 17.524 16.896 8.653 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.209 16.664 8.724 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.737 15.603 9.374 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.359 17.502 8.143 1.00 0.00 N ATOM 0 H ARG B 85 20.158 15.619 4.680 1.00 0.00 H new ATOM 0 HA ARG B 85 20.815 13.707 6.835 1.00 0.00 H new ATOM 0 HB2 ARG B 85 18.254 15.318 6.577 1.00 0.00 H new ATOM 0 HB3 ARG B 85 18.438 13.913 7.607 1.00 0.00 H new ATOM 0 HG2 ARG B 85 20.405 15.074 8.736 1.00 0.00 H new ATOM 0 HG3 ARG B 85 20.053 16.503 7.784 1.00 0.00 H new ATOM 0 HD2 ARG B 85 18.082 15.155 9.688 1.00 0.00 H new ATOM 0 HD3 ARG B 85 19.032 16.574 10.080 1.00 0.00 H new ATOM 0 HE ARG B 85 17.834 17.723 8.143 1.00 0.00 H new ATOM 0 HH11 ARG B 85 16.381 14.954 9.826 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.731 15.439 9.420 1.00 0.00 H new ATOM 0 HH21 ARG B 85 15.710 18.320 7.644 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.355 17.328 8.195 1.00 0.00 H new ATOM 1247 N VAL B 86 20.408 12.611 4.397 1.00 0.00 N ATOM 1248 CA VAL B 86 20.066 11.510 3.509 1.00 0.00 C ATOM 1249 C VAL B 86 20.196 10.188 4.257 1.00 0.00 C ATOM 1250 O VAL B 86 21.285 9.624 4.340 1.00 0.00 O ATOM 1251 CB VAL B 86 20.951 11.528 2.257 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.436 10.508 1.247 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.949 12.916 1.617 1.00 0.00 C ATOM 0 H VAL B 86 21.370 12.937 4.302 1.00 0.00 H new ATOM 0 HA VAL B 86 19.033 11.624 3.182 1.00 0.00 H new ATOM 0 HB VAL B 86 21.970 11.275 2.551 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.068 10.524 0.359 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.459 9.513 1.691 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.412 10.757 0.968 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.583 12.909 0.730 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.931 13.185 1.334 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.332 13.646 2.330 1.00 0.00 H new ATOM 1263 N GLU B 87 19.085 9.696 4.808 1.00 0.00 N ATOM 1264 CA GLU B 87 19.083 8.452 5.565 1.00 0.00 C ATOM 1265 C GLU B 87 17.712 7.791 5.485 1.00 0.00 C ATOM 1266 O GLU B 87 16.725 8.439 5.156 1.00 0.00 O ATOM 1267 CB GLU B 87 19.467 8.734 7.023 1.00 0.00 C ATOM 1268 CG GLU B 87 18.431 9.642 7.697 1.00 0.00 C ATOM 1269 CD GLU B 87 18.830 9.982 9.133 1.00 0.00 C ATOM 1270 OE1 GLU B 87 18.097 10.784 9.755 1.00 0.00 O ATOM 1271 OE2 GLU B 87 19.859 9.443 9.600 1.00 0.00 O ATOM 0 H GLU B 87 18.172 10.146 4.741 1.00 0.00 H new ATOM 0 HA GLU B 87 19.816 7.768 5.137 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.544 7.795 7.571 1.00 0.00 H new ATOM 0 HB3 GLU B 87 20.449 9.206 7.060 1.00 0.00 H new ATOM 0 HG2 GLU B 87 18.323 10.561 7.121 1.00 0.00 H new ATOM 0 HG3 GLU B 87 17.459 9.149 7.696 1.00 0.00 H new ATOM 1278 N PHE B 88 17.649 6.492 5.791 1.00 0.00 N ATOM 1279 CA PHE B 88 16.398 5.747 5.775 1.00 0.00 C ATOM 1280 C PHE B 88 15.486 6.003 6.979 1.00 0.00 C ATOM 1281 O PHE B 88 15.970 6.404 8.039 1.00 0.00 O ATOM 1282 CB PHE B 88 16.660 4.256 5.557 1.00 0.00 C ATOM 1283 CG PHE B 88 17.892 3.747 6.275 1.00 0.00 C ATOM 1284 CD1 PHE B 88 17.845 3.471 7.650 1.00 0.00 C ATOM 1285 CD2 PHE B 88 19.085 3.554 5.563 1.00 0.00 C ATOM 1286 CE1 PHE B 88 18.992 3.004 8.311 1.00 0.00 C ATOM 1287 CE2 PHE B 88 20.228 3.091 6.224 1.00 0.00 C ATOM 1288 CZ PHE B 88 20.181 2.815 7.597 1.00 0.00 C ATOM 0 H PHE B 88 18.462 5.935 6.055 1.00 0.00 H new ATOM 0 HA PHE B 88 15.833 6.131 4.926 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.792 3.690 5.895 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.768 4.067 4.489 1.00 0.00 H new ATOM 0 HD1 PHE B 88 16.927 3.618 8.199 1.00 0.00 H new ATOM 0 HD2 PHE B 88 19.121 3.763 4.504 1.00 0.00 H new ATOM 0 HE1 PHE B 88 18.957 2.791 9.369 1.00 0.00 H new ATOM 0 HE2 PHE B 88 21.147 2.946 5.676 1.00 0.00 H new ATOM 0 HZ PHE B 88 21.064 2.456 8.105 1.00 0.00 H new ATOM 1298 N PRO B 89 14.173 5.774 6.825 1.00 0.00 N ATOM 1299 CA PRO B 89 13.201 5.880 7.903 1.00 0.00 C ATOM 1300 C PRO B 89 13.587 5.012 9.100 1.00 0.00 C ATOM 1301 O PRO B 89 13.506 5.539 10.231 1.00 0.00 O ATOM 1302 CB PRO B 89 11.865 5.441 7.302 1.00 0.00 C ATOM 1303 CG PRO B 89 12.039 5.646 5.796 1.00 0.00 C ATOM 1304 CD PRO B 89 13.533 5.414 5.577 1.00 0.00 C ATOM 0 HA PRO B 89 13.150 6.899 8.288 1.00 0.00 H new ATOM 0 HB2 PRO B 89 11.646 4.400 7.538 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.039 6.037 7.691 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.435 4.943 5.222 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.739 6.648 5.490 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.734 4.374 5.320 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.907 6.024 4.755 1.00 0.00 H new TER 1312 PRO B 89 ATOM 1313 O5' A A 90 6.647 9.673 13.965 1.00 0.00 O ATOM 1314 C5' A A 90 7.627 10.554 13.462 1.00 0.00 C ATOM 1315 C4' A A 90 8.736 10.735 14.504 1.00 0.00 C ATOM 1316 O4' A A 90 9.433 9.505 14.687 1.00 0.00 O ATOM 1317 C3' A A 90 9.764 11.768 14.024 1.00 0.00 C ATOM 1318 O3' A A 90 9.805 12.925 14.836 1.00 0.00 O ATOM 1319 C2' A A 90 11.090 11.021 14.110 1.00 0.00 C ATOM 1320 O2' A A 90 11.692 11.197 15.376 1.00 0.00 O ATOM 1321 C1' A A 90 10.654 9.571 13.970 1.00 0.00 C ATOM 1322 N9 A A 90 10.438 9.218 12.545 1.00 0.00 N ATOM 1323 C8 A A 90 10.955 9.813 11.422 1.00 0.00 C ATOM 1324 N7 A A 90 10.547 9.285 10.305 1.00 0.00 N ATOM 1325 C5 A A 90 9.707 8.253 10.709 1.00 0.00 C ATOM 1326 C6 A A 90 8.945 7.307 10.003 1.00 0.00 C ATOM 1327 N6 A A 90 8.883 7.266 8.669 1.00 0.00 N ATOM 1328 N1 A A 90 8.247 6.405 10.705 1.00 0.00 N ATOM 1329 C2 A A 90 8.288 6.458 12.031 1.00 0.00 C ATOM 1330 N3 A A 90 8.944 7.297 12.815 1.00 0.00 N ATOM 1331 C4 A A 90 9.652 8.188 12.074 1.00 0.00 C ATOM 0 H5' A A 90 7.177 11.518 13.224 1.00 0.00 H new ATOM 0 H5'' A A 90 8.045 10.159 12.536 1.00 0.00 H new ATOM 0 H4' A A 90 8.269 11.065 15.432 1.00 0.00 H new ATOM 0 H3' A A 90 9.522 12.133 13.026 1.00 0.00 H new ATOM 0 H2' A A 90 11.815 11.357 13.368 1.00 0.00 H new ATOM 0 HO2' A A 90 11.236 11.918 15.858 1.00 0.00 H new ATOM 0 HO5' A A 90 6.103 9.332 13.225 1.00 0.00 H new ATOM 0 H1' A A 90 11.403 8.875 14.347 1.00 0.00 H new ATOM 0 H8 A A 90 11.641 10.647 11.462 1.00 0.00 H new ATOM 0 H61 A A 90 8.314 6.557 8.206 1.00 0.00 H new ATOM 0 H62 A A 90 9.405 7.943 8.113 1.00 0.00 H new ATOM 0 H2 A A 90 7.702 5.709 12.542 1.00 0.00 H new ATOM 1344 P A A 91 8.663 14.051 14.726 1.00 0.00 P ATOM 1345 OP1 A A 91 8.977 15.118 15.702 1.00 0.00 O ATOM 1346 OP2 A A 91 7.342 13.385 14.775 1.00 0.00 O ATOM 1347 O5' A A 91 8.883 14.639 13.242 1.00 0.00 O ATOM 1348 C5' A A 91 9.948 15.527 12.974 1.00 0.00 C ATOM 1349 C4' A A 91 9.891 16.007 11.520 1.00 0.00 C ATOM 1350 O4' A A 91 8.683 16.709 11.280 1.00 0.00 O ATOM 1351 C3' A A 91 10.991 17.040 11.297 1.00 0.00 C ATOM 1352 O3' A A 91 11.249 17.218 9.918 1.00 0.00 O ATOM 1353 C2' A A 91 10.348 18.298 11.874 1.00 0.00 C ATOM 1354 O2' A A 91 10.737 19.450 11.157 1.00 0.00 O ATOM 1355 C1' A A 91 8.844 18.044 11.739 1.00 0.00 C ATOM 1356 N9 A A 91 8.156 18.246 13.037 1.00 0.00 N ATOM 1357 C8 A A 91 8.480 19.112 14.051 1.00 0.00 C ATOM 1358 N7 A A 91 7.682 19.053 15.081 1.00 0.00 N ATOM 1359 C5 A A 91 6.748 18.087 14.720 1.00 0.00 C ATOM 1360 C6 A A 91 5.616 17.561 15.367 1.00 0.00 C ATOM 1361 N6 A A 91 5.226 17.941 16.592 1.00 0.00 N ATOM 1362 N1 A A 91 4.889 16.633 14.727 1.00 0.00 N ATOM 1363 C2 A A 91 5.266 16.257 13.512 1.00 0.00 C ATOM 1364 N3 A A 91 6.302 16.666 12.794 1.00 0.00 N ATOM 1365 C4 A A 91 7.021 17.593 13.472 1.00 0.00 C ATOM 0 H5' A A 91 10.900 15.031 13.163 1.00 0.00 H new ATOM 0 H5'' A A 91 9.895 16.382 13.648 1.00 0.00 H new ATOM 0 H4' A A 91 9.986 15.133 10.876 1.00 0.00 H new ATOM 0 H3' A A 91 11.946 16.768 11.746 1.00 0.00 H new ATOM 0 H2' A A 91 10.650 18.482 12.905 1.00 0.00 H new ATOM 0 HO2' A A 91 11.239 19.184 10.358 1.00 0.00 H new ATOM 0 H1' A A 91 8.398 18.746 11.034 1.00 0.00 H new ATOM 0 H8 A A 91 9.323 19.785 14.000 1.00 0.00 H new ATOM 0 H61 A A 91 4.396 17.526 17.014 1.00 0.00 H new ATOM 0 H62 A A 91 5.760 18.645 17.102 1.00 0.00 H new ATOM 0 H2 A A 91 4.640 15.513 13.042 1.00 0.00 H new ATOM 1377 P C A 92 12.090 16.137 9.073 1.00 0.00 P ATOM 1378 OP1 C A 92 12.980 15.406 10.003 1.00 0.00 O ATOM 1379 OP2 C A 92 12.671 16.842 7.908 1.00 0.00 O ATOM 1380 O5' C A 92 10.970 15.116 8.530 1.00 0.00 O ATOM 1381 C5' C A 92 10.198 15.428 7.391 1.00 0.00 C ATOM 1382 C4' C A 92 9.233 14.289 7.061 1.00 0.00 C ATOM 1383 O4' C A 92 9.953 13.146 6.607 1.00 0.00 O ATOM 1384 C3' C A 92 8.451 13.878 8.307 1.00 0.00 C ATOM 1385 O3' C A 92 7.150 13.444 7.958 1.00 0.00 O ATOM 1386 C2' C A 92 9.257 12.699 8.819 1.00 0.00 C ATOM 1387 O2' C A 92 8.461 11.813 9.581 1.00 0.00 O ATOM 1388 C1' C A 92 9.750 12.076 7.519 1.00 0.00 C ATOM 1389 N1 C A 92 11.007 11.328 7.746 1.00 0.00 N ATOM 1390 C2 C A 92 11.042 9.977 7.420 1.00 0.00 C ATOM 1391 O2 C A 92 10.032 9.405 7.009 1.00 0.00 O ATOM 1392 N3 C A 92 12.215 9.305 7.565 1.00 0.00 N ATOM 1393 C4 C A 92 13.298 9.919 8.049 1.00 0.00 C ATOM 1394 N4 C A 92 14.424 9.222 8.181 1.00 0.00 N ATOM 1395 C5 C A 92 13.267 11.298 8.436 1.00 0.00 C ATOM 1396 C6 C A 92 12.099 11.955 8.272 1.00 0.00 C ATOM 0 H5' C A 92 10.854 15.613 6.541 1.00 0.00 H new ATOM 0 H5'' C A 92 9.638 16.346 7.566 1.00 0.00 H new ATOM 0 H4' C A 92 8.554 14.644 6.286 1.00 0.00 H new ATOM 0 H3' C A 92 8.328 14.687 9.027 1.00 0.00 H new ATOM 0 H2' C A 92 10.063 12.969 9.501 1.00 0.00 H new ATOM 0 HO2' C A 92 7.525 11.893 9.303 1.00 0.00 H new ATOM 0 H1' C A 92 9.025 11.364 7.124 1.00 0.00 H new ATOM 0 H41 C A 92 15.262 9.672 8.549 1.00 0.00 H new ATOM 0 H42 C A 92 14.449 8.238 7.915 1.00 0.00 H new ATOM 0 H5 C A 92 14.139 11.790 8.841 1.00 0.00 H new ATOM 0 H6 C A 92 12.028 12.993 8.562 1.00 0.00 H new ATOM 1408 P A A 93 6.004 14.487 7.525 1.00 0.00 P ATOM 1409 OP1 A A 93 6.633 15.770 7.148 1.00 0.00 O ATOM 1410 OP2 A A 93 4.952 14.473 8.565 1.00 0.00 O ATOM 1411 O5' A A 93 5.399 13.820 6.192 1.00 0.00 O ATOM 1412 C5' A A 93 4.640 12.636 6.274 1.00 0.00 C ATOM 1413 C4' A A 93 4.006 12.304 4.924 1.00 0.00 C ATOM 1414 O4' A A 93 4.969 11.773 4.016 1.00 0.00 O ATOM 1415 C3' A A 93 2.928 11.244 5.126 1.00 0.00 C ATOM 1416 O3' A A 93 1.642 11.813 5.259 1.00 0.00 O ATOM 1417 C2' A A 93 3.035 10.402 3.867 1.00 0.00 C ATOM 1418 O2' A A 93 2.264 10.956 2.819 1.00 0.00 O ATOM 1419 C1' A A 93 4.509 10.523 3.512 1.00 0.00 C ATOM 1420 N9 A A 93 5.289 9.423 4.093 1.00 0.00 N ATOM 1421 C8 A A 93 5.438 9.078 5.403 1.00 0.00 C ATOM 1422 N7 A A 93 6.214 8.047 5.600 1.00 0.00 N ATOM 1423 C5 A A 93 6.604 7.681 4.311 1.00 0.00 C ATOM 1424 C6 A A 93 7.432 6.661 3.801 1.00 0.00 C ATOM 1425 N6 A A 93 8.074 5.776 4.567 1.00 0.00 N ATOM 1426 N1 A A 93 7.577 6.574 2.470 1.00 0.00 N ATOM 1427 C2 A A 93 6.946 7.452 1.699 1.00 0.00 C ATOM 1428 N3 A A 93 6.150 8.448 2.042 1.00 0.00 N ATOM 1429 C4 A A 93 6.028 8.511 3.386 1.00 0.00 C ATOM 0 H5' A A 93 3.862 12.749 7.029 1.00 0.00 H new ATOM 0 H5'' A A 93 5.277 11.812 6.594 1.00 0.00 H new ATOM 0 H4' A A 93 3.591 13.224 4.513 1.00 0.00 H new ATOM 0 H3' A A 93 3.069 10.670 6.042 1.00 0.00 H new ATOM 0 H2' A A 93 2.683 9.381 4.012 1.00 0.00 H new ATOM 0 HO2' A A 93 1.687 11.663 3.176 1.00 0.00 H new ATOM 0 H1' A A 93 4.635 10.469 2.431 1.00 0.00 H new ATOM 0 H8 A A 93 4.956 9.612 6.209 1.00 0.00 H new ATOM 0 H61 A A 93 8.660 5.060 4.138 1.00 0.00 H new ATOM 0 H62 A A 93 7.979 5.816 5.582 1.00 0.00 H new ATOM 0 H2 A A 93 7.107 7.334 0.638 1.00 0.00 H new ATOM 1441 P A A 94 0.467 10.983 5.973 1.00 0.00 P ATOM 1442 OP1 A A 94 0.524 9.580 5.499 1.00 0.00 O ATOM 1443 OP2 A A 94 -0.788 11.756 5.844 1.00 0.00 O ATOM 1444 O5' A A 94 0.938 11.023 7.514 1.00 0.00 O ATOM 1445 C5' A A 94 0.036 11.376 8.543 1.00 0.00 C ATOM 1446 C4' A A 94 0.807 11.597 9.845 1.00 0.00 C ATOM 1447 O4' A A 94 1.454 10.396 10.247 1.00 0.00 O ATOM 1448 C3' A A 94 1.883 12.679 9.664 1.00 0.00 C ATOM 1449 O3' A A 94 1.789 13.646 10.692 1.00 0.00 O ATOM 1450 C2' A A 94 3.182 11.898 9.798 1.00 0.00 C ATOM 1451 O2' A A 94 4.201 12.660 10.412 1.00 0.00 O ATOM 1452 C1' A A 94 2.765 10.719 10.665 1.00 0.00 C ATOM 1453 N9 A A 94 3.715 9.596 10.491 1.00 0.00 N ATOM 1454 C8 A A 94 4.930 9.423 11.102 1.00 0.00 C ATOM 1455 N7 A A 94 5.548 8.325 10.760 1.00 0.00 N ATOM 1456 C5 A A 94 4.684 7.732 9.843 1.00 0.00 C ATOM 1457 C6 A A 94 4.753 6.537 9.097 1.00 0.00 C ATOM 1458 N6 A A 94 5.772 5.678 9.174 1.00 0.00 N ATOM 1459 N1 A A 94 3.735 6.253 8.273 1.00 0.00 N ATOM 1460 C2 A A 94 2.714 7.097 8.195 1.00 0.00 C ATOM 1461 N3 A A 94 2.525 8.240 8.842 1.00 0.00 N ATOM 1462 C4 A A 94 3.565 8.503 9.669 1.00 0.00 C ATOM 0 H5' A A 94 -0.706 10.589 8.677 1.00 0.00 H new ATOM 0 H5'' A A 94 -0.506 12.282 8.271 1.00 0.00 H new ATOM 0 H4' A A 94 0.089 11.911 10.602 1.00 0.00 H new ATOM 0 H3' A A 94 1.795 13.219 8.721 1.00 0.00 H new ATOM 0 H2' A A 94 3.608 11.607 8.838 1.00 0.00 H new ATOM 0 HO2' A A 94 4.576 13.290 9.761 1.00 0.00 H new ATOM 0 H1' A A 94 2.778 10.949 11.730 1.00 0.00 H new ATOM 0 H8 A A 94 5.340 10.133 11.805 1.00 0.00 H new ATOM 0 H61 A A 94 5.767 4.829 8.609 1.00 0.00 H new ATOM 0 H62 A A 94 6.556 5.871 9.797 1.00 0.00 H new ATOM 0 H2 A A 94 1.928 6.815 7.510 1.00 0.00 H new ATOM 1474 P A A 95 0.653 14.786 10.653 1.00 0.00 P ATOM 1475 OP1 A A 95 0.428 15.168 9.241 1.00 0.00 O ATOM 1476 OP2 A A 95 1.012 15.827 11.643 1.00 0.00 O ATOM 1477 O5' A A 95 -0.666 14.027 11.186 1.00 0.00 O ATOM 1478 C5' A A 95 -0.825 13.728 12.554 1.00 0.00 C ATOM 1479 C4' A A 95 -2.217 13.139 12.797 1.00 0.00 C ATOM 1480 O4' A A 95 -2.269 11.778 12.389 1.00 0.00 O ATOM 1481 C3' A A 95 -2.550 13.191 14.292 1.00 0.00 C ATOM 1482 O3' A A 95 -3.656 14.036 14.535 1.00 0.00 O ATOM 1483 C2' A A 95 -2.868 11.746 14.662 1.00 0.00 C ATOM 1484 O2' A A 95 -4.264 11.510 14.646 1.00 0.00 O ATOM 1485 C1' A A 95 -2.212 10.954 13.541 1.00 0.00 C ATOM 1486 N9 A A 95 -0.806 10.623 13.870 1.00 0.00 N ATOM 1487 C8 A A 95 0.026 11.188 14.808 1.00 0.00 C ATOM 1488 N7 A A 95 1.212 10.649 14.856 1.00 0.00 N ATOM 1489 C5 A A 95 1.164 9.650 13.884 1.00 0.00 C ATOM 1490 C6 A A 95 2.100 8.699 13.438 1.00 0.00 C ATOM 1491 N6 A A 95 3.337 8.596 13.933 1.00 0.00 N ATOM 1492 N1 A A 95 1.727 7.852 12.467 1.00 0.00 N ATOM 1493 C2 A A 95 0.500 7.943 11.971 1.00 0.00 C ATOM 1494 N3 A A 95 -0.471 8.782 12.302 1.00 0.00 N ATOM 1495 C4 A A 95 -0.060 9.629 13.277 1.00 0.00 C ATOM 0 H5' A A 95 -0.693 14.630 13.151 1.00 0.00 H new ATOM 0 H5'' A A 95 -0.060 13.020 12.872 1.00 0.00 H new ATOM 0 H4' A A 95 -2.931 13.726 12.220 1.00 0.00 H new ATOM 0 H3' A A 95 -1.731 13.597 14.886 1.00 0.00 H new ATOM 0 H2' A A 95 -2.519 11.484 15.661 1.00 0.00 H new ATOM 0 HO2' A A 95 -4.741 12.366 14.677 1.00 0.00 H new ATOM 0 HO3' A A 95 -3.851 14.052 15.495 1.00 0.00 H new ATOM 0 H1' A A 95 -2.727 10.006 13.383 1.00 0.00 H new ATOM 0 H8 A A 95 -0.276 12.005 15.447 1.00 0.00 H new ATOM 0 H61 A A 95 3.974 7.886 13.571 1.00 0.00 H new ATOM 0 H62 A A 95 3.644 9.227 14.673 1.00 0.00 H new ATOM 0 H2 A A 95 0.259 7.236 11.190 1.00 0.00 H new TER 1508 A A 95