USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 853 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 53 LYS NZ :NH3+ 140:sc= 1.6 (180deg=0.457) USER MOD Set 1.2: A 69 TYR OH : rot 169:sc= 1.32 USER MOD Set 2.1: A 39 SER OG : rot 71:sc= 1.16 USER MOD Set 2.2: A 63 SER OG : rot -44:sc= 2.2 USER MOD Set 2.3: A 65 THR OG1 : rot 129:sc= 1.89 USER MOD Set 3.1: A 24 THR OG1 : rot 150:sc= 0.0108 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -144:sc= 2.25 (180deg=-0.184) USER MOD Set 3.3: A 33 SER OG : rot 102:sc= 2.09 USER MOD Set 3.4: A 36 GLN : amide:sc= 1.1 K(o=5.5,f=-8.2!) USER MOD Set 4.1: A 30 THR OG1 : rot 128:sc= 1.23 USER MOD Set 4.2: A 91 SER OG : rot -27:sc= 0.948 USER MOD Set 5.1: A 23 TYR OH : rot 130:sc= 0.927 USER MOD Set 5.2: A 83 LYS NZ :NH3+ -154:sc= 2.26 (180deg=1.16) USER MOD Set 6.1: A 13 LYS NZ :NH3+ 143:sc= 0.779 (180deg=-0.369!) USER MOD Set 6.2: A 103 THR OG1 : rot -105:sc= 0.955 USER MOD Set 7.1: A 6 SER OG : rot 42:sc= 0.856 USER MOD Set 7.2: A 7 GLN : amide:sc= 2.97 K(o=3.8,f=-2.6!) USER MOD Set 8.1: A 5 LYS NZ :NH3+ -160:sc= 1.63 (180deg=0.46!) USER MOD Set 8.2: A 9 SER OG : rot 35:sc= 0.994 USER MOD Single : A 11 ASN : amide:sc= 0.702 K(o=0.7,f=-6.6!) USER MOD Single : A 12 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.63) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 1.03 (180deg=-0.803!) USER MOD Single : A 20 SER OG : rot -82:sc= 0.967 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.963) USER MOD Single : A 27 TYR OH : rot -160:sc= 1.78 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 167:sc= 1.31 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 2.4 (180deg=2.4) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 2.29 (180deg=0.737) USER MOD Single : A 47 ASN : amide:sc= 2.48 K(o=2.5,f=-8.1!) USER MOD Single : A 48 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 54 SER OG : rot 89:sc= 1.21 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 127:sc= 1.64 USER MOD Single : A 61 MET CE :methyl -165:sc= -0.0824 (180deg=-0.377) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= 1.32 (180deg=1.12) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= 2.32 (180deg=-0.112) USER MOD Single : A 68 TYR OH : rot -27:sc= 1.29 USER MOD Single : A 71 GLN : amide:sc= -0.861 K(o=-0.86,f=-3.9!) USER MOD Single : A 74 ASN : amide:sc= 0.842 K(o=0.84,f=-0.088) USER MOD Single : A 75 ASN : amide:sc= 1.81 K(o=1.8,f=-9.5!) USER MOD Single : A 79 THR OG1 : rot 101:sc= 1.21 USER MOD Single : A 98 SER OG : rot -87:sc= 1.05 USER MOD Single : A 102 THR OG1 : rot -30:sc= 0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 13.225 4.266 -16.015 1.00 0.00 N ATOM 2 CA ALA A 2 14.687 4.078 -16.131 1.00 0.00 C ATOM 3 C ALA A 2 15.283 5.309 -16.860 1.00 0.00 C ATOM 4 O ALA A 2 14.639 6.355 -16.772 1.00 0.00 O ATOM 5 CB ALA A 2 14.962 2.693 -16.746 1.00 0.00 C ATOM 0 HA ALA A 2 15.203 4.051 -15.171 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.038 2.542 -16.837 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.540 1.920 -16.104 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.503 2.636 -17.733 1.00 0.00 H new ATOM 13 N PRO A 3 16.468 5.290 -17.515 1.00 0.00 N ATOM 14 CA PRO A 3 16.958 6.428 -18.308 1.00 0.00 C ATOM 15 C PRO A 3 15.979 6.928 -19.385 1.00 0.00 C ATOM 16 O PRO A 3 15.097 6.197 -19.829 1.00 0.00 O ATOM 17 CB PRO A 3 18.270 5.955 -18.944 1.00 0.00 C ATOM 18 CG PRO A 3 18.783 4.924 -17.946 1.00 0.00 C ATOM 19 CD PRO A 3 17.495 4.258 -17.467 1.00 0.00 C ATOM 0 HA PRO A 3 17.087 7.290 -17.653 1.00 0.00 H new ATOM 0 HB2 PRO A 3 18.106 5.517 -19.929 1.00 0.00 H new ATOM 0 HB3 PRO A 3 18.975 6.776 -19.074 1.00 0.00 H new ATOM 0 HG2 PRO A 3 19.460 4.209 -18.413 1.00 0.00 H new ATOM 0 HG3 PRO A 3 19.328 5.390 -17.125 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.231 3.415 -18.105 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.610 3.868 -16.455 1.00 0.00 H new ATOM 27 N VAL A 4 16.179 8.169 -19.852 1.00 0.00 N ATOM 28 CA VAL A 4 15.226 8.976 -20.643 1.00 0.00 C ATOM 29 C VAL A 4 14.504 8.205 -21.758 1.00 0.00 C ATOM 30 O VAL A 4 13.290 8.346 -21.896 1.00 0.00 O ATOM 31 CB VAL A 4 15.915 10.241 -21.209 1.00 0.00 C ATOM 32 CG1 VAL A 4 14.925 11.146 -21.959 1.00 0.00 C ATOM 33 CG2 VAL A 4 16.558 11.081 -20.095 1.00 0.00 C ATOM 0 H VAL A 4 17.053 8.666 -19.682 1.00 0.00 H new ATOM 0 HA VAL A 4 14.444 9.267 -19.941 1.00 0.00 H new ATOM 0 HB VAL A 4 16.680 9.878 -21.896 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.450 12.022 -22.340 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.487 10.595 -22.791 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.135 11.464 -21.278 1.00 0.00 H new ATOM 0 HG21 VAL A 4 17.032 11.961 -20.530 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.791 11.395 -19.387 1.00 0.00 H new ATOM 0 HG23 VAL A 4 17.308 10.484 -19.576 1.00 0.00 H new ATOM 43 N LYS A 5 15.217 7.368 -22.527 1.00 0.00 N ATOM 44 CA LYS A 5 14.667 6.592 -23.651 1.00 0.00 C ATOM 45 C LYS A 5 13.606 5.546 -23.251 1.00 0.00 C ATOM 46 O LYS A 5 12.886 5.083 -24.133 1.00 0.00 O ATOM 47 CB LYS A 5 15.841 5.975 -24.445 1.00 0.00 C ATOM 48 CG LYS A 5 15.518 5.214 -25.753 1.00 0.00 C ATOM 49 CD LYS A 5 15.186 6.063 -26.997 1.00 0.00 C ATOM 50 CE LYS A 5 13.975 7.002 -26.909 1.00 0.00 C ATOM 51 NZ LYS A 5 12.703 6.313 -26.587 1.00 0.00 N ATOM 0 H LYS A 5 16.214 7.208 -22.382 1.00 0.00 H new ATOM 0 HA LYS A 5 14.110 7.280 -24.287 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.536 6.778 -24.690 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.368 5.289 -23.782 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.371 4.580 -25.994 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.673 4.553 -25.560 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.062 6.665 -27.237 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.026 5.384 -27.835 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.169 7.759 -26.149 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.863 7.525 -27.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.902 6.913 -26.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.658 5.410 -27.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.656 6.132 -25.564 1.00 0.00 H new ATOM 65 N SER A 6 13.461 5.190 -21.966 1.00 0.00 N ATOM 66 CA SER A 6 12.307 4.412 -21.492 1.00 0.00 C ATOM 67 C SER A 6 11.125 5.275 -21.030 1.00 0.00 C ATOM 68 O SER A 6 10.078 4.704 -20.726 1.00 0.00 O ATOM 69 CB SER A 6 12.716 3.428 -20.383 1.00 0.00 C ATOM 70 OG SER A 6 13.198 4.054 -19.211 1.00 0.00 O ATOM 0 H SER A 6 14.131 5.429 -21.235 1.00 0.00 H new ATOM 0 HA SER A 6 11.959 3.852 -22.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.857 2.809 -20.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.486 2.760 -20.769 1.00 0.00 H new ATOM 0 HG SER A 6 12.638 4.830 -19.000 1.00 0.00 H new ATOM 76 N GLN A 7 11.293 6.602 -20.910 1.00 0.00 N ATOM 77 CA GLN A 7 10.335 7.525 -20.295 1.00 0.00 C ATOM 78 C GLN A 7 9.384 8.208 -21.290 1.00 0.00 C ATOM 79 O GLN A 7 8.167 8.191 -21.098 1.00 0.00 O ATOM 80 CB GLN A 7 11.071 8.576 -19.434 1.00 0.00 C ATOM 81 CG GLN A 7 12.181 8.020 -18.525 1.00 0.00 C ATOM 82 CD GLN A 7 11.722 6.875 -17.633 1.00 0.00 C ATOM 83 OE1 GLN A 7 11.774 5.703 -18.001 1.00 0.00 O ATOM 84 NE2 GLN A 7 11.288 7.155 -16.427 1.00 0.00 N ATOM 0 H GLN A 7 12.130 7.075 -21.252 1.00 0.00 H new ATOM 0 HA GLN A 7 9.699 6.909 -19.660 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.507 9.324 -20.097 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.338 9.090 -18.812 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.009 7.677 -19.145 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.564 8.826 -17.899 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.242 8.125 -16.114 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.997 6.403 -15.802 1.00 0.00 H new ATOM 93 N GLU A 8 9.920 8.875 -22.318 1.00 0.00 N ATOM 94 CA GLU A 8 9.160 9.728 -23.237 1.00 0.00 C ATOM 95 C GLU A 8 8.200 8.962 -24.163 1.00 0.00 C ATOM 96 O GLU A 8 7.037 9.343 -24.307 1.00 0.00 O ATOM 97 CB GLU A 8 10.119 10.646 -24.030 1.00 0.00 C ATOM 98 CG GLU A 8 11.473 10.094 -24.520 1.00 0.00 C ATOM 99 CD GLU A 8 11.388 8.730 -25.199 1.00 0.00 C ATOM 100 OE1 GLU A 8 11.144 8.611 -26.420 1.00 0.00 O ATOM 101 OE2 GLU A 8 11.479 7.700 -24.500 1.00 0.00 O ATOM 0 H GLU A 8 10.915 8.836 -22.539 1.00 0.00 H new ATOM 0 HA GLU A 8 8.508 10.344 -22.618 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.577 11.004 -24.905 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.328 11.515 -23.406 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.911 10.807 -25.218 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.151 10.022 -23.670 1.00 0.00 H new ATOM 108 N SER A 9 8.670 7.881 -24.790 1.00 0.00 N ATOM 109 CA SER A 9 7.945 7.177 -25.847 1.00 0.00 C ATOM 110 C SER A 9 6.765 6.391 -25.270 1.00 0.00 C ATOM 111 O SER A 9 5.681 6.385 -25.857 1.00 0.00 O ATOM 112 CB SER A 9 8.904 6.255 -26.607 1.00 0.00 C ATOM 113 OG SER A 9 9.733 6.987 -27.498 1.00 0.00 O ATOM 0 H SER A 9 9.576 7.466 -24.574 1.00 0.00 H new ATOM 0 HA SER A 9 7.539 7.910 -26.545 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.525 5.709 -25.897 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.332 5.514 -27.166 1.00 0.00 H new ATOM 0 HG SER A 9 9.948 7.858 -27.104 1.00 0.00 H new ATOM 119 N ILE A 10 6.960 5.786 -24.089 1.00 0.00 N ATOM 120 CA ILE A 10 5.881 5.182 -23.306 1.00 0.00 C ATOM 121 C ILE A 10 4.875 6.255 -22.873 1.00 0.00 C ATOM 122 O ILE A 10 3.688 6.045 -23.098 1.00 0.00 O ATOM 123 CB ILE A 10 6.441 4.315 -22.153 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.423 3.300 -21.585 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.080 5.135 -21.034 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.414 3.837 -20.560 1.00 0.00 C ATOM 0 H ILE A 10 7.877 5.704 -23.651 1.00 0.00 H new ATOM 0 HA ILE A 10 5.321 4.484 -23.928 1.00 0.00 H new ATOM 0 HB ILE A 10 7.235 3.734 -22.621 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.866 2.873 -22.419 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.978 2.484 -21.121 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.452 4.465 -20.259 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.908 5.718 -21.437 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.337 5.808 -20.606 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.757 3.029 -20.239 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.948 4.235 -19.697 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.820 4.629 -21.015 1.00 0.00 H new ATOM 138 N ASN A 11 5.312 7.417 -22.344 1.00 0.00 N ATOM 139 CA ASN A 11 4.410 8.525 -21.999 1.00 0.00 C ATOM 140 C ASN A 11 3.519 8.898 -23.187 1.00 0.00 C ATOM 141 O ASN A 11 2.297 8.876 -23.057 1.00 0.00 O ATOM 142 CB ASN A 11 5.185 9.768 -21.508 1.00 0.00 C ATOM 143 CG ASN A 11 5.280 9.869 -19.997 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.380 10.344 -19.324 1.00 0.00 O ATOM 145 ND2 ASN A 11 6.381 9.448 -19.424 1.00 0.00 N ATOM 0 H ASN A 11 6.294 7.609 -22.147 1.00 0.00 H new ATOM 0 HA ASN A 11 3.780 8.177 -21.180 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.191 9.746 -21.926 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.699 10.664 -21.894 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.488 9.517 -18.412 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.131 9.051 -19.990 1.00 0.00 H new ATOM 152 N GLN A 12 4.126 9.203 -24.340 1.00 0.00 N ATOM 153 CA GLN A 12 3.413 9.533 -25.574 1.00 0.00 C ATOM 154 C GLN A 12 2.382 8.454 -25.932 1.00 0.00 C ATOM 155 O GLN A 12 1.184 8.745 -25.980 1.00 0.00 O ATOM 156 CB GLN A 12 4.441 9.798 -26.690 1.00 0.00 C ATOM 157 CG GLN A 12 3.818 10.162 -28.048 1.00 0.00 C ATOM 158 CD GLN A 12 3.394 8.948 -28.876 1.00 0.00 C ATOM 159 OE1 GLN A 12 2.224 8.701 -29.116 1.00 0.00 O ATOM 160 NE2 GLN A 12 4.328 8.140 -29.344 1.00 0.00 N ATOM 0 H GLN A 12 5.141 9.227 -24.441 1.00 0.00 H new ATOM 0 HA GLN A 12 2.831 10.444 -25.436 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.100 10.608 -26.377 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.062 8.911 -26.814 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.949 10.798 -27.880 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.536 10.749 -28.621 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.311 8.332 -29.152 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.066 7.324 -29.897 1.00 0.00 H new ATOM 169 N LYS A 13 2.833 7.212 -26.173 1.00 0.00 N ATOM 170 CA LYS A 13 1.952 6.149 -26.670 1.00 0.00 C ATOM 171 C LYS A 13 0.877 5.754 -25.648 1.00 0.00 C ATOM 172 O LYS A 13 -0.265 5.499 -26.030 1.00 0.00 O ATOM 173 CB LYS A 13 2.805 4.958 -27.135 1.00 0.00 C ATOM 174 CG LYS A 13 1.993 4.004 -28.025 1.00 0.00 C ATOM 175 CD LYS A 13 2.875 2.901 -28.619 1.00 0.00 C ATOM 176 CE LYS A 13 2.006 1.972 -29.471 1.00 0.00 C ATOM 177 NZ LYS A 13 2.794 0.912 -30.133 1.00 0.00 N ATOM 0 H LYS A 13 3.801 6.922 -26.031 1.00 0.00 H new ATOM 0 HA LYS A 13 1.396 6.525 -27.528 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.673 5.322 -27.685 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.182 4.417 -26.267 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.191 3.554 -27.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.523 4.568 -28.830 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.667 3.339 -29.227 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.360 2.337 -27.822 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.243 1.514 -28.841 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.485 2.559 -30.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.244 0.029 -30.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.014 1.200 -31.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.679 0.759 -29.609 1.00 0.00 H new ATOM 191 N LEU A 14 1.209 5.739 -24.352 1.00 0.00 N ATOM 192 CA LEU A 14 0.254 5.458 -23.284 1.00 0.00 C ATOM 193 C LEU A 14 -0.760 6.595 -23.106 1.00 0.00 C ATOM 194 O LEU A 14 -1.933 6.299 -22.908 1.00 0.00 O ATOM 195 CB LEU A 14 0.998 5.113 -21.987 1.00 0.00 C ATOM 196 CG LEU A 14 0.057 4.516 -20.922 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.766 3.412 -20.142 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.410 5.568 -19.919 1.00 0.00 C ATOM 0 H LEU A 14 2.155 5.923 -24.017 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.334 4.585 -23.567 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.796 4.403 -22.205 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.471 6.012 -21.590 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.806 4.120 -21.457 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.087 3.001 -19.394 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.072 2.622 -20.827 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.645 3.824 -19.647 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.071 5.104 -19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.454 5.994 -19.409 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.947 6.358 -20.444 1.00 0.00 H new ATOM 210 N ALA A 15 -0.365 7.872 -23.216 1.00 0.00 N ATOM 211 CA ALA A 15 -1.317 8.988 -23.211 1.00 0.00 C ATOM 212 C ALA A 15 -2.246 8.958 -24.430 1.00 0.00 C ATOM 213 O ALA A 15 -3.460 9.112 -24.280 1.00 0.00 O ATOM 214 CB ALA A 15 -0.576 10.321 -23.144 1.00 0.00 C ATOM 0 H ALA A 15 0.610 8.156 -23.310 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.939 8.879 -22.323 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.297 11.138 -23.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.021 10.360 -22.233 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.078 10.417 -24.010 1.00 0.00 H new ATOM 220 N LEU A 16 -1.690 8.705 -25.626 1.00 0.00 N ATOM 221 CA LEU A 16 -2.445 8.466 -26.860 1.00 0.00 C ATOM 222 C LEU A 16 -3.496 7.366 -26.653 1.00 0.00 C ATOM 223 O LEU A 16 -4.641 7.532 -27.067 1.00 0.00 O ATOM 224 CB LEU A 16 -1.437 8.171 -27.988 1.00 0.00 C ATOM 225 CG LEU A 16 -2.037 7.932 -29.389 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.966 8.196 -30.452 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.507 6.490 -29.600 1.00 0.00 C ATOM 0 H LEU A 16 -0.680 8.661 -25.761 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.018 9.347 -27.149 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.739 9.006 -28.052 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.857 7.291 -27.709 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.891 8.604 -29.473 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.388 8.028 -31.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.623 9.228 -30.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.125 7.521 -30.296 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.919 6.385 -30.604 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.663 5.811 -29.481 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.274 6.246 -28.865 1.00 0.00 H new ATOM 239 N VAL A 17 -3.132 6.276 -25.968 1.00 0.00 N ATOM 240 CA VAL A 17 -4.066 5.246 -25.502 1.00 0.00 C ATOM 241 C VAL A 17 -5.079 5.779 -24.480 1.00 0.00 C ATOM 242 O VAL A 17 -6.274 5.690 -24.744 1.00 0.00 O ATOM 243 CB VAL A 17 -3.287 4.002 -25.043 1.00 0.00 C ATOM 244 CG1 VAL A 17 -4.079 3.070 -24.121 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.872 3.234 -26.305 1.00 0.00 C ATOM 0 H VAL A 17 -2.162 6.082 -25.718 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.691 4.934 -26.339 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.434 4.342 -24.455 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.458 2.218 -23.844 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.374 3.612 -23.222 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.970 2.716 -24.640 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.315 2.341 -26.021 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.762 2.944 -26.864 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.244 3.871 -26.928 1.00 0.00 H new ATOM 255 N ILE A 18 -4.650 6.341 -23.345 1.00 0.00 N ATOM 256 CA ILE A 18 -5.514 6.897 -22.286 1.00 0.00 C ATOM 257 C ILE A 18 -6.558 7.896 -22.819 1.00 0.00 C ATOM 258 O ILE A 18 -7.670 7.949 -22.292 1.00 0.00 O ATOM 259 CB ILE A 18 -4.637 7.459 -21.136 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.142 6.272 -20.271 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.419 8.470 -20.289 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.501 6.653 -18.929 1.00 0.00 C ATOM 0 H ILE A 18 -3.657 6.427 -23.126 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.117 6.088 -21.874 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.781 7.990 -21.554 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.986 5.611 -20.076 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.417 5.700 -20.851 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.780 8.847 -19.491 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.742 9.299 -20.918 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.292 7.983 -19.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.190 5.749 -18.405 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.632 7.286 -19.108 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.225 7.195 -18.321 1.00 0.00 H new ATOM 274 N LYS A 19 -6.245 8.636 -23.889 1.00 0.00 N ATOM 275 CA LYS A 19 -7.168 9.519 -24.613 1.00 0.00 C ATOM 276 C LYS A 19 -8.448 8.822 -25.128 1.00 0.00 C ATOM 277 O LYS A 19 -9.421 9.528 -25.387 1.00 0.00 O ATOM 278 CB LYS A 19 -6.336 10.268 -25.676 1.00 0.00 C ATOM 279 CG LYS A 19 -7.080 11.142 -26.707 1.00 0.00 C ATOM 280 CD LYS A 19 -7.520 10.392 -27.977 1.00 0.00 C ATOM 281 CE LYS A 19 -6.325 9.893 -28.801 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.779 9.049 -29.925 1.00 0.00 N ATOM 0 H LYS A 19 -5.307 8.637 -24.290 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.605 10.249 -23.932 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.624 10.906 -25.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.755 9.527 -26.226 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.961 11.574 -26.231 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.434 11.972 -26.995 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.145 9.544 -27.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.133 11.051 -28.592 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.761 10.744 -29.184 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.650 9.324 -28.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.981 8.483 -30.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.536 8.415 -29.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.140 9.654 -30.690 1.00 0.00 H new ATOM 296 N SER A 20 -8.515 7.482 -25.210 1.00 0.00 N ATOM 297 CA SER A 20 -9.801 6.764 -25.367 1.00 0.00 C ATOM 298 C SER A 20 -9.907 5.354 -24.741 1.00 0.00 C ATOM 299 O SER A 20 -11.019 4.847 -24.592 1.00 0.00 O ATOM 300 CB SER A 20 -10.192 6.697 -26.850 1.00 0.00 C ATOM 301 OG SER A 20 -9.394 5.767 -27.544 1.00 0.00 O ATOM 0 H SER A 20 -7.699 6.872 -25.171 1.00 0.00 H new ATOM 0 HA SER A 20 -10.498 7.366 -24.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.242 6.418 -26.940 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.084 7.683 -27.303 1.00 0.00 H new ATOM 0 HG SER A 20 -8.543 6.186 -27.791 1.00 0.00 H new ATOM 307 N GLY A 21 -8.798 4.716 -24.348 1.00 0.00 N ATOM 308 CA GLY A 21 -8.743 3.345 -23.833 1.00 0.00 C ATOM 309 C GLY A 21 -8.939 3.218 -22.315 1.00 0.00 C ATOM 310 O GLY A 21 -8.946 4.201 -21.574 1.00 0.00 O ATOM 0 H GLY A 21 -7.880 5.159 -24.382 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.508 2.753 -24.335 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.779 2.911 -24.098 1.00 0.00 H new ATOM 314 N LYS A 22 -9.085 1.973 -21.843 1.00 0.00 N ATOM 315 CA LYS A 22 -9.389 1.636 -20.442 1.00 0.00 C ATOM 316 C LYS A 22 -8.110 1.429 -19.629 1.00 0.00 C ATOM 317 O LYS A 22 -7.391 0.443 -19.835 1.00 0.00 O ATOM 318 CB LYS A 22 -10.288 0.391 -20.350 1.00 0.00 C ATOM 319 CG LYS A 22 -11.780 0.687 -20.571 1.00 0.00 C ATOM 320 CD LYS A 22 -12.133 1.184 -21.983 1.00 0.00 C ATOM 321 CE LYS A 22 -13.622 0.969 -22.278 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.894 -0.430 -22.688 1.00 0.00 N ATOM 0 H LYS A 22 -8.993 1.150 -22.438 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.930 2.481 -20.017 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.958 -0.339 -21.089 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.159 -0.067 -19.369 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.351 -0.219 -20.366 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.099 1.436 -19.846 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.889 2.242 -22.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.531 0.654 -22.721 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.209 1.211 -21.392 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.940 1.650 -23.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.920 -0.600 -22.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.521 -0.590 -23.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.432 -1.083 -22.023 1.00 0.00 H new ATOM 336 N TYR A 23 -7.867 2.348 -18.689 1.00 0.00 N ATOM 337 CA TYR A 23 -6.748 2.330 -17.749 1.00 0.00 C ATOM 338 C TYR A 23 -7.183 2.374 -16.269 1.00 0.00 C ATOM 339 O TYR A 23 -8.351 2.596 -15.954 1.00 0.00 O ATOM 340 CB TYR A 23 -5.842 3.525 -18.083 1.00 0.00 C ATOM 341 CG TYR A 23 -6.444 4.878 -17.753 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.351 5.494 -18.639 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.098 5.518 -16.547 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.913 6.743 -18.322 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.648 6.773 -16.232 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.550 7.394 -17.122 1.00 0.00 C ATOM 347 OH TYR A 23 -8.051 8.627 -16.834 1.00 0.00 O ATOM 0 H TYR A 23 -8.472 3.159 -18.559 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.219 1.384 -17.863 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.903 3.416 -17.540 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.601 3.497 -19.146 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.615 5.005 -19.565 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.409 5.044 -15.863 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.621 7.204 -18.995 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.380 7.263 -15.307 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.419 8.627 -15.926 1.00 0.00 H new ATOM 357 N THR A 24 -6.217 2.197 -15.360 1.00 0.00 N ATOM 358 CA THR A 24 -6.343 2.371 -13.902 1.00 0.00 C ATOM 359 C THR A 24 -5.059 2.984 -13.309 1.00 0.00 C ATOM 360 O THR A 24 -3.998 2.875 -13.930 1.00 0.00 O ATOM 361 CB THR A 24 -6.705 1.025 -13.247 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.892 1.189 -11.864 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.651 -0.065 -13.452 1.00 0.00 C ATOM 0 H THR A 24 -5.276 1.914 -15.632 1.00 0.00 H new ATOM 0 HA THR A 24 -7.150 3.073 -13.690 1.00 0.00 H new ATOM 0 HB THR A 24 -7.622 0.702 -13.740 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.546 0.534 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.977 -0.983 -12.962 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.521 -0.249 -14.518 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.704 0.259 -13.021 1.00 0.00 H new ATOM 371 N LEU A 25 -5.147 3.636 -12.133 1.00 0.00 N ATOM 372 CA LEU A 25 -4.078 4.434 -11.499 1.00 0.00 C ATOM 373 C LEU A 25 -4.017 4.263 -9.974 1.00 0.00 C ATOM 374 O LEU A 25 -5.024 4.459 -9.286 1.00 0.00 O ATOM 375 CB LEU A 25 -4.293 5.939 -11.758 1.00 0.00 C ATOM 376 CG LEU A 25 -4.320 6.408 -13.216 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.593 7.913 -13.248 1.00 0.00 C ATOM 378 CD2 LEU A 25 -2.987 6.170 -13.915 1.00 0.00 C ATOM 0 H LEU A 25 -6.001 3.621 -11.575 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.152 4.069 -11.944 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.236 6.229 -11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.503 6.485 -11.243 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.096 5.841 -13.730 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.614 8.257 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.554 8.118 -12.777 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.805 8.437 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.050 6.517 -14.946 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.201 6.718 -13.395 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.755 5.105 -13.904 1.00 0.00 H new ATOM 390 N GLY A 26 -2.823 4.002 -9.434 1.00 0.00 N ATOM 391 CA GLY A 26 -2.564 3.901 -7.993 1.00 0.00 C ATOM 392 C GLY A 26 -2.787 2.488 -7.441 1.00 0.00 C ATOM 393 O GLY A 26 -3.604 1.732 -7.964 1.00 0.00 O ATOM 0 H GLY A 26 -1.988 3.851 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.537 4.206 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.213 4.599 -7.463 1.00 0.00 H new ATOM 397 N TYR A 27 -2.053 2.139 -6.372 1.00 0.00 N ATOM 398 CA TYR A 27 -1.839 0.757 -5.914 1.00 0.00 C ATOM 399 C TYR A 27 -3.139 -0.048 -5.765 1.00 0.00 C ATOM 400 O TYR A 27 -3.304 -1.072 -6.423 1.00 0.00 O ATOM 401 CB TYR A 27 -0.996 0.748 -4.627 1.00 0.00 C ATOM 402 CG TYR A 27 -0.359 -0.602 -4.337 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.904 -0.907 -4.885 1.00 0.00 C ATOM 404 CD2 TYR A 27 -1.031 -1.567 -3.555 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.461 -2.173 -4.696 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.449 -2.835 -3.332 1.00 0.00 C ATOM 407 CZ TYR A 27 0.796 -3.139 -3.925 1.00 0.00 C ATOM 408 OH TYR A 27 1.421 -4.329 -3.746 1.00 0.00 O ATOM 0 H TYR A 27 -1.580 2.828 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.281 0.242 -6.696 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.213 1.502 -4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.627 1.033 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.441 -0.160 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.994 -1.335 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.413 -2.411 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.951 -3.565 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 27 0.763 -5.009 -3.490 1.00 0.00 H new ATOM 418 N LYS A 28 -4.086 0.431 -4.944 1.00 0.00 N ATOM 419 CA LYS A 28 -5.394 -0.211 -4.731 1.00 0.00 C ATOM 420 C LYS A 28 -6.156 -0.421 -6.048 1.00 0.00 C ATOM 421 O LYS A 28 -6.662 -1.514 -6.293 1.00 0.00 O ATOM 422 CB LYS A 28 -6.198 0.625 -3.721 1.00 0.00 C ATOM 423 CG LYS A 28 -7.513 -0.052 -3.302 1.00 0.00 C ATOM 424 CD LYS A 28 -8.266 0.813 -2.277 1.00 0.00 C ATOM 425 CE LYS A 28 -9.611 0.200 -1.864 1.00 0.00 C ATOM 426 NZ LYS A 28 -9.442 -1.034 -1.059 1.00 0.00 N ATOM 0 H LYS A 28 -3.964 1.286 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.239 -1.209 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.588 0.803 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.419 1.599 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.140 -0.215 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.303 -1.032 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.644 0.945 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.436 1.804 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.180 0.931 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.194 -0.028 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.376 -1.412 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.922 -1.743 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.909 -0.814 -0.194 1.00 0.00 H new ATOM 440 N SER A 29 -6.214 0.615 -6.890 1.00 0.00 N ATOM 441 CA SER A 29 -6.912 0.671 -8.176 1.00 0.00 C ATOM 442 C SER A 29 -6.398 -0.363 -9.175 1.00 0.00 C ATOM 443 O SER A 29 -7.192 -1.042 -9.844 1.00 0.00 O ATOM 444 CB SER A 29 -6.683 2.041 -8.817 1.00 0.00 C ATOM 445 OG SER A 29 -6.646 3.095 -7.880 1.00 0.00 O ATOM 0 H SER A 29 -5.743 1.494 -6.676 1.00 0.00 H new ATOM 0 HA SER A 29 -7.963 0.474 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.744 2.023 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.476 2.234 -9.540 1.00 0.00 H new ATOM 0 HG SER A 29 -6.296 3.903 -8.310 1.00 0.00 H new ATOM 451 N THR A 30 -5.067 -0.451 -9.313 1.00 0.00 N ATOM 452 CA THR A 30 -4.430 -1.498 -10.105 1.00 0.00 C ATOM 453 C THR A 30 -4.678 -2.850 -9.442 1.00 0.00 C ATOM 454 O THR A 30 -5.374 -3.643 -10.056 1.00 0.00 O ATOM 455 CB THR A 30 -2.973 -1.186 -10.480 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.474 -2.231 -11.270 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.022 -1.004 -9.309 1.00 0.00 C ATOM 0 H THR A 30 -4.411 0.199 -8.880 1.00 0.00 H new ATOM 0 HA THR A 30 -4.898 -1.544 -11.088 1.00 0.00 H new ATOM 0 HB THR A 30 -3.012 -0.229 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.087 -1.864 -12.092 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.021 -0.788 -9.683 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.364 -0.176 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.998 -1.917 -8.715 1.00 0.00 H new ATOM 465 N VAL A 31 -4.284 -3.098 -8.182 1.00 0.00 N ATOM 466 CA VAL A 31 -4.483 -4.395 -7.500 1.00 0.00 C ATOM 467 C VAL A 31 -5.907 -4.952 -7.664 1.00 0.00 C ATOM 468 O VAL A 31 -6.057 -6.088 -8.110 1.00 0.00 O ATOM 469 CB VAL A 31 -4.045 -4.316 -6.022 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.468 -5.558 -5.226 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.517 -4.193 -5.942 1.00 0.00 C ATOM 0 H VAL A 31 -3.815 -2.402 -7.601 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.835 -5.117 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.533 -3.443 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.138 -5.457 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.553 -5.655 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.013 -6.445 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.211 -4.137 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.057 -5.064 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.197 -3.290 -6.462 1.00 0.00 H new ATOM 481 N LYS A 32 -6.944 -4.140 -7.401 1.00 0.00 N ATOM 482 CA LYS A 32 -8.350 -4.399 -7.767 1.00 0.00 C ATOM 483 C LYS A 32 -8.465 -4.926 -9.205 1.00 0.00 C ATOM 484 O LYS A 32 -8.911 -6.045 -9.441 1.00 0.00 O ATOM 485 CB LYS A 32 -9.132 -3.078 -7.565 1.00 0.00 C ATOM 486 CG LYS A 32 -10.522 -2.973 -8.234 1.00 0.00 C ATOM 487 CD LYS A 32 -10.826 -1.514 -8.637 1.00 0.00 C ATOM 488 CE LYS A 32 -11.909 -1.380 -9.714 1.00 0.00 C ATOM 489 NZ LYS A 32 -11.486 -1.964 -11.013 1.00 0.00 N ATOM 0 H LYS A 32 -6.824 -3.254 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.774 -5.178 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.259 -2.921 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.515 -2.260 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.556 -3.613 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.289 -3.333 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.138 -0.960 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.909 -1.048 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.819 -1.875 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.152 -0.327 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.865 -1.389 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.447 -1.977 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.849 -2.936 -11.091 1.00 0.00 H new ATOM 503 N SER A 33 -8.100 -4.079 -10.166 1.00 0.00 N ATOM 504 CA SER A 33 -8.328 -4.280 -11.597 1.00 0.00 C ATOM 505 C SER A 33 -7.470 -5.402 -12.208 1.00 0.00 C ATOM 506 O SER A 33 -7.903 -6.037 -13.165 1.00 0.00 O ATOM 507 CB SER A 33 -8.083 -2.956 -12.328 1.00 0.00 C ATOM 508 OG SER A 33 -8.730 -1.872 -11.669 1.00 0.00 O ATOM 0 H SER A 33 -7.620 -3.202 -9.963 1.00 0.00 H new ATOM 0 HA SER A 33 -9.362 -4.603 -11.720 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.012 -2.762 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.448 -3.031 -13.352 1.00 0.00 H new ATOM 0 HG SER A 33 -8.071 -1.363 -11.152 1.00 0.00 H new ATOM 514 N LEU A 34 -6.291 -5.693 -11.641 1.00 0.00 N ATOM 515 CA LEU A 34 -5.464 -6.850 -11.997 1.00 0.00 C ATOM 516 C LEU A 34 -6.045 -8.150 -11.428 1.00 0.00 C ATOM 517 O LEU A 34 -6.035 -9.169 -12.116 1.00 0.00 O ATOM 518 CB LEU A 34 -4.025 -6.695 -11.480 1.00 0.00 C ATOM 519 CG LEU A 34 -3.273 -5.407 -11.843 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.880 -5.451 -11.219 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.183 -5.148 -13.337 1.00 0.00 C ATOM 0 H LEU A 34 -5.879 -5.117 -10.907 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.456 -6.898 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.048 -6.775 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.443 -7.539 -11.849 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.848 -4.574 -11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.339 -4.539 -11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.969 -5.531 -10.136 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.336 -6.314 -11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.638 -4.221 -13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.659 -5.974 -13.819 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.187 -5.063 -13.753 1.00 0.00 H new ATOM 533 N ARG A 35 -6.587 -8.130 -10.199 1.00 0.00 N ATOM 534 CA ARG A 35 -7.313 -9.273 -9.617 1.00 0.00 C ATOM 535 C ARG A 35 -8.647 -9.547 -10.332 1.00 0.00 C ATOM 536 O ARG A 35 -9.111 -10.682 -10.315 1.00 0.00 O ATOM 537 CB ARG A 35 -7.490 -9.073 -8.100 1.00 0.00 C ATOM 538 CG ARG A 35 -6.139 -9.173 -7.362 1.00 0.00 C ATOM 539 CD ARG A 35 -6.231 -8.752 -5.889 1.00 0.00 C ATOM 540 NE ARG A 35 -6.890 -9.779 -5.063 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.417 -10.398 -3.984 1.00 0.00 C ATOM 542 NH1 ARG A 35 -5.228 -10.171 -3.468 1.00 0.00 N ATOM 543 NH2 ARG A 35 -7.162 -11.297 -3.382 1.00 0.00 N ATOM 0 H ARG A 35 -6.535 -7.321 -9.580 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.710 -10.168 -9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.940 -8.099 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.177 -9.824 -7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.774 -10.199 -7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.406 -8.545 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.230 -8.563 -5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.784 -7.816 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.829 -10.050 -5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.608 -9.485 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.926 -10.681 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.091 -11.513 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.811 -11.779 -2.554 1.00 0.00 H new ATOM 557 N GLN A 36 -9.205 -8.560 -11.046 1.00 0.00 N ATOM 558 CA GLN A 36 -10.243 -8.741 -12.075 1.00 0.00 C ATOM 559 C GLN A 36 -9.708 -9.319 -13.410 1.00 0.00 C ATOM 560 O GLN A 36 -10.468 -9.483 -14.365 1.00 0.00 O ATOM 561 CB GLN A 36 -10.998 -7.418 -12.300 1.00 0.00 C ATOM 562 CG GLN A 36 -11.835 -7.006 -11.081 1.00 0.00 C ATOM 563 CD GLN A 36 -12.569 -5.695 -11.334 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.018 -4.607 -11.202 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.834 -5.745 -11.709 1.00 0.00 N ATOM 0 H GLN A 36 -8.940 -7.583 -10.921 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.934 -9.493 -11.694 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.282 -6.629 -12.529 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.650 -7.518 -13.168 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.556 -7.790 -10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.187 -6.901 -10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.298 -6.647 -11.820 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.348 -4.882 -11.887 1.00 0.00 H new ATOM 574 N GLY A 37 -8.418 -9.662 -13.501 1.00 0.00 N ATOM 575 CA GLY A 37 -7.842 -10.563 -14.497 1.00 0.00 C ATOM 576 C GLY A 37 -7.533 -9.938 -15.857 1.00 0.00 C ATOM 577 O GLY A 37 -6.446 -10.153 -16.385 1.00 0.00 O ATOM 0 H GLY A 37 -7.719 -9.301 -12.852 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.920 -10.981 -14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.530 -11.395 -14.648 1.00 0.00 H new ATOM 581 N LYS A 38 -8.476 -9.196 -16.454 1.00 0.00 N ATOM 582 CA LYS A 38 -8.425 -8.819 -17.878 1.00 0.00 C ATOM 583 C LYS A 38 -7.491 -7.646 -18.251 1.00 0.00 C ATOM 584 O LYS A 38 -7.688 -7.026 -19.299 1.00 0.00 O ATOM 585 CB LYS A 38 -9.847 -8.678 -18.455 1.00 0.00 C ATOM 586 CG LYS A 38 -10.571 -7.348 -18.150 1.00 0.00 C ATOM 587 CD LYS A 38 -11.552 -6.929 -19.264 1.00 0.00 C ATOM 588 CE LYS A 38 -10.930 -6.786 -20.669 1.00 0.00 C ATOM 589 NZ LYS A 38 -9.761 -5.880 -20.676 1.00 0.00 N ATOM 0 H LYS A 38 -9.297 -8.839 -15.965 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.929 -9.655 -18.370 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.793 -8.800 -19.537 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.456 -9.497 -18.072 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.115 -7.444 -17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.830 -6.561 -18.010 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.356 -7.664 -19.313 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.006 -5.978 -18.987 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.628 -7.768 -21.032 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.683 -6.409 -21.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.377 -5.816 -21.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.053 -4.935 -20.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.030 -6.252 -20.037 1.00 0.00 H new ATOM 603 N SER A 39 -6.501 -7.303 -17.424 1.00 0.00 N ATOM 604 CA SER A 39 -5.418 -6.390 -17.819 1.00 0.00 C ATOM 605 C SER A 39 -4.469 -7.043 -18.833 1.00 0.00 C ATOM 606 O SER A 39 -4.403 -8.270 -18.916 1.00 0.00 O ATOM 607 CB SER A 39 -4.632 -5.948 -16.581 1.00 0.00 C ATOM 608 OG SER A 39 -4.055 -7.056 -15.921 1.00 0.00 O ATOM 0 H SER A 39 -6.424 -7.646 -16.467 1.00 0.00 H new ATOM 0 HA SER A 39 -5.871 -5.521 -18.296 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.850 -5.248 -16.874 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.294 -5.418 -15.897 1.00 0.00 H new ATOM 0 HG SER A 39 -3.326 -7.418 -16.466 1.00 0.00 H new ATOM 614 N LYS A 40 -3.669 -6.225 -19.536 1.00 0.00 N ATOM 615 CA LYS A 40 -2.496 -6.718 -20.281 1.00 0.00 C ATOM 616 C LYS A 40 -1.202 -5.940 -20.023 1.00 0.00 C ATOM 617 O LYS A 40 -0.126 -6.451 -20.331 1.00 0.00 O ATOM 618 CB LYS A 40 -2.798 -6.768 -21.787 1.00 0.00 C ATOM 619 CG LYS A 40 -1.843 -7.725 -22.531 1.00 0.00 C ATOM 620 CD LYS A 40 -2.500 -8.414 -23.731 1.00 0.00 C ATOM 621 CE LYS A 40 -1.549 -9.405 -24.421 1.00 0.00 C ATOM 622 NZ LYS A 40 -0.445 -8.725 -25.138 1.00 0.00 N ATOM 0 H LYS A 40 -3.812 -5.217 -19.605 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.313 -7.723 -19.901 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.828 -7.090 -21.941 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.711 -5.767 -22.209 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.971 -7.167 -22.872 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.483 -8.484 -21.836 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.395 -8.941 -23.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.821 -7.660 -24.450 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.131 -10.082 -23.676 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.114 -10.016 -25.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.030 -9.376 -25.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.814 -7.884 -25.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.286 -8.436 -24.457 1.00 0.00 H new ATOM 636 N LEU A 41 -1.256 -4.747 -19.423 1.00 0.00 N ATOM 637 CA LEU A 41 -0.052 -3.951 -19.160 1.00 0.00 C ATOM 638 C LEU A 41 -0.125 -3.297 -17.775 1.00 0.00 C ATOM 639 O LEU A 41 -1.128 -2.649 -17.488 1.00 0.00 O ATOM 640 CB LEU A 41 0.045 -2.956 -20.334 1.00 0.00 C ATOM 641 CG LEU A 41 1.161 -1.900 -20.333 1.00 0.00 C ATOM 642 CD1 LEU A 41 0.884 -0.789 -19.321 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.556 -2.493 -20.125 1.00 0.00 C ATOM 0 H LEU A 41 -2.123 -4.310 -19.109 1.00 0.00 H new ATOM 0 HA LEU A 41 0.858 -4.549 -19.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.146 -3.538 -21.250 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.906 -2.428 -20.395 1.00 0.00 H new ATOM 0 HG LEU A 41 1.156 -1.464 -21.332 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.695 -0.061 -19.349 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.056 -0.296 -19.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.815 -1.217 -18.321 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.297 -1.693 -20.135 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.593 -3.009 -19.166 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.774 -3.200 -20.926 1.00 0.00 H new ATOM 655 N ILE A 42 0.927 -3.421 -16.946 1.00 0.00 N ATOM 656 CA ILE A 42 1.168 -2.550 -15.788 1.00 0.00 C ATOM 657 C ILE A 42 2.447 -1.723 -15.973 1.00 0.00 C ATOM 658 O ILE A 42 3.479 -2.234 -16.414 1.00 0.00 O ATOM 659 CB ILE A 42 1.165 -3.292 -14.429 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.413 -4.144 -14.102 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.084 -4.163 -14.240 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.412 -4.648 -12.654 1.00 0.00 C ATOM 0 H ILE A 42 1.641 -4.139 -17.066 1.00 0.00 H new ATOM 0 HA ILE A 42 0.317 -1.870 -15.748 1.00 0.00 H new ATOM 0 HB ILE A 42 1.171 -2.461 -13.724 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.456 -4.996 -14.781 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.311 -3.551 -14.277 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.037 -4.661 -13.272 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.975 -3.536 -14.282 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.129 -4.911 -15.031 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.309 -5.241 -12.475 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.397 -3.797 -11.973 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.529 -5.265 -12.484 1.00 0.00 H new ATOM 674 N ILE A 43 2.381 -0.445 -15.586 1.00 0.00 N ATOM 675 CA ILE A 43 3.543 0.432 -15.437 1.00 0.00 C ATOM 676 C ILE A 43 3.730 0.738 -13.956 1.00 0.00 C ATOM 677 O ILE A 43 2.750 1.020 -13.273 1.00 0.00 O ATOM 678 CB ILE A 43 3.371 1.778 -16.174 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.851 1.741 -17.624 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.718 2.500 -16.152 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.683 0.904 -18.598 1.00 0.00 C ATOM 0 H ILE A 43 1.499 0.017 -15.363 1.00 0.00 H new ATOM 0 HA ILE A 43 4.400 -0.086 -15.867 1.00 0.00 H new ATOM 0 HB ILE A 43 2.578 2.291 -15.630 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.832 1.354 -17.617 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.801 2.763 -18.000 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.627 3.456 -16.667 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.022 2.671 -15.119 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.467 1.888 -16.654 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.232 0.944 -19.589 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.697 1.301 -18.644 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.713 -0.130 -18.255 1.00 0.00 H new ATOM 693 N ILE A 44 4.977 0.764 -13.474 1.00 0.00 N ATOM 694 CA ILE A 44 5.304 1.114 -12.092 1.00 0.00 C ATOM 695 C ILE A 44 6.283 2.310 -12.096 1.00 0.00 C ATOM 696 O ILE A 44 7.497 2.126 -12.218 1.00 0.00 O ATOM 697 CB ILE A 44 5.797 -0.146 -11.318 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.852 -1.384 -11.414 1.00 0.00 C ATOM 699 CG2 ILE A 44 5.978 0.222 -9.839 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.579 -2.714 -11.199 1.00 0.00 C ATOM 0 H ILE A 44 5.795 0.540 -14.041 1.00 0.00 H new ATOM 0 HA ILE A 44 4.422 1.447 -11.544 1.00 0.00 H new ATOM 0 HB ILE A 44 6.733 -0.443 -11.790 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.059 -1.286 -10.672 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.373 -1.393 -12.393 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.323 -0.652 -9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.714 1.021 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.026 0.558 -9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.867 -3.535 -11.278 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.354 -2.832 -11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.035 -2.724 -10.209 1.00 0.00 H new ATOM 712 N ALA A 45 5.770 3.552 -11.987 1.00 0.00 N ATOM 713 CA ALA A 45 6.572 4.766 -11.746 1.00 0.00 C ATOM 714 C ALA A 45 6.678 5.064 -10.235 1.00 0.00 C ATOM 715 O ALA A 45 6.286 6.118 -9.715 1.00 0.00 O ATOM 716 CB ALA A 45 6.047 5.947 -12.574 1.00 0.00 C ATOM 0 H ALA A 45 4.771 3.742 -12.065 1.00 0.00 H new ATOM 0 HA ALA A 45 7.592 4.592 -12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.656 6.829 -12.377 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.099 5.700 -13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.012 6.152 -12.300 1.00 0.00 H new ATOM 722 N ALA A 46 7.228 4.084 -9.516 1.00 0.00 N ATOM 723 CA ALA A 46 7.427 4.120 -8.078 1.00 0.00 C ATOM 724 C ALA A 46 8.757 3.465 -7.696 1.00 0.00 C ATOM 725 O ALA A 46 9.137 2.426 -8.243 1.00 0.00 O ATOM 726 CB ALA A 46 6.225 3.447 -7.418 1.00 0.00 C ATOM 0 H ALA A 46 7.556 3.216 -9.940 1.00 0.00 H new ATOM 0 HA ALA A 46 7.491 5.148 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.350 3.461 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.315 3.984 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.152 2.415 -7.762 1.00 0.00 H new ATOM 732 N ASN A 47 9.447 4.066 -6.727 1.00 0.00 N ATOM 733 CA ASN A 47 10.701 3.599 -6.139 1.00 0.00 C ATOM 734 C ASN A 47 10.394 2.379 -5.240 1.00 0.00 C ATOM 735 O ASN A 47 10.312 2.483 -4.019 1.00 0.00 O ATOM 736 CB ASN A 47 11.354 4.785 -5.396 1.00 0.00 C ATOM 737 CG ASN A 47 11.534 6.033 -6.266 1.00 0.00 C ATOM 738 OD1 ASN A 47 10.573 6.643 -6.731 1.00 0.00 O ATOM 739 ND2 ASN A 47 12.751 6.482 -6.487 1.00 0.00 N ATOM 0 H ASN A 47 9.128 4.940 -6.309 1.00 0.00 H new ATOM 0 HA ASN A 47 11.419 3.261 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.743 5.041 -4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.327 4.473 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.890 7.328 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.555 5.984 -6.106 1.00 0.00 H new ATOM 746 N THR A 48 10.097 1.247 -5.886 1.00 0.00 N ATOM 747 CA THR A 48 9.197 0.203 -5.377 1.00 0.00 C ATOM 748 C THR A 48 9.945 -0.875 -4.575 1.00 0.00 C ATOM 749 O THR A 48 10.775 -1.574 -5.158 1.00 0.00 O ATOM 750 CB THR A 48 8.443 -0.443 -6.552 1.00 0.00 C ATOM 751 OG1 THR A 48 7.723 0.535 -7.255 1.00 0.00 O ATOM 752 CG2 THR A 48 7.365 -1.427 -6.117 1.00 0.00 C ATOM 0 H THR A 48 10.486 1.024 -6.802 1.00 0.00 H new ATOM 0 HA THR A 48 8.492 0.678 -4.695 1.00 0.00 H new ATOM 0 HB THR A 48 9.218 -0.942 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.316 0.980 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.875 -1.843 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.819 -2.232 -5.540 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.628 -0.911 -5.502 1.00 0.00 H new ATOM 760 N PRO A 49 9.655 -1.062 -3.268 1.00 0.00 N ATOM 761 CA PRO A 49 10.201 -2.163 -2.470 1.00 0.00 C ATOM 762 C PRO A 49 9.947 -3.545 -3.088 1.00 0.00 C ATOM 763 O PRO A 49 8.901 -3.783 -3.696 1.00 0.00 O ATOM 764 CB PRO A 49 9.530 -2.056 -1.096 1.00 0.00 C ATOM 765 CG PRO A 49 9.136 -0.586 -0.998 1.00 0.00 C ATOM 766 CD PRO A 49 8.791 -0.230 -2.442 1.00 0.00 C ATOM 0 HA PRO A 49 11.286 -2.075 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.660 -2.709 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.211 -2.342 -0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.286 -0.439 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.952 0.027 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.740 -0.426 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.964 0.829 -2.637 1.00 0.00 H new ATOM 774 N VAL A 50 10.872 -4.486 -2.862 1.00 0.00 N ATOM 775 CA VAL A 50 10.875 -5.824 -3.482 1.00 0.00 C ATOM 776 C VAL A 50 9.561 -6.580 -3.251 1.00 0.00 C ATOM 777 O VAL A 50 9.011 -7.143 -4.196 1.00 0.00 O ATOM 778 CB VAL A 50 12.087 -6.657 -3.010 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.126 -8.038 -3.682 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.411 -5.945 -3.331 1.00 0.00 C ATOM 0 H VAL A 50 11.658 -4.339 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 50 10.966 -5.671 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 50 11.972 -6.774 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.993 -8.593 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.217 -8.588 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.196 -7.915 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.245 -6.556 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.491 -5.794 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.436 -4.979 -2.827 1.00 0.00 H new ATOM 790 N LEU A 51 9.024 -6.582 -2.026 1.00 0.00 N ATOM 791 CA LEU A 51 7.742 -7.230 -1.719 1.00 0.00 C ATOM 792 C LEU A 51 6.564 -6.561 -2.451 1.00 0.00 C ATOM 793 O LEU A 51 5.676 -7.246 -2.956 1.00 0.00 O ATOM 794 CB LEU A 51 7.504 -7.225 -0.198 1.00 0.00 C ATOM 795 CG LEU A 51 8.576 -7.961 0.633 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.248 -7.823 2.122 1.00 0.00 C ATOM 797 CD2 LEU A 51 8.664 -9.452 0.289 1.00 0.00 C ATOM 0 H LEU A 51 9.464 -6.136 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 51 7.797 -8.259 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.449 -6.191 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.534 -7.679 0.004 1.00 0.00 H new ATOM 0 HG LEU A 51 9.537 -7.503 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.004 -8.342 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.236 -6.768 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.270 -8.260 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.433 -9.922 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.703 -9.928 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.919 -9.568 -0.765 1.00 0.00 H new ATOM 809 N ARG A 52 6.578 -5.224 -2.537 1.00 0.00 N ATOM 810 CA ARG A 52 5.545 -4.416 -3.194 1.00 0.00 C ATOM 811 C ARG A 52 5.556 -4.670 -4.705 1.00 0.00 C ATOM 812 O ARG A 52 4.499 -4.954 -5.276 1.00 0.00 O ATOM 813 CB ARG A 52 5.748 -2.935 -2.811 1.00 0.00 C ATOM 814 CG ARG A 52 4.469 -2.093 -2.846 1.00 0.00 C ATOM 815 CD ARG A 52 3.590 -2.219 -1.586 1.00 0.00 C ATOM 816 NE ARG A 52 2.915 -3.528 -1.467 1.00 0.00 N ATOM 817 CZ ARG A 52 2.875 -4.365 -0.436 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.539 -4.134 0.672 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.160 -5.465 -0.489 1.00 0.00 N ATOM 0 H ARG A 52 7.330 -4.660 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 52 4.551 -4.703 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.174 -2.886 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.478 -2.493 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.741 -1.046 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.880 -2.384 -3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.209 -2.056 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.837 -1.431 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 52 2.406 -3.833 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.107 -3.291 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.487 -4.797 1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.626 -5.686 -1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.139 -6.098 0.310 1.00 0.00 H new ATOM 833 N LYS A 53 6.744 -4.656 -5.340 1.00 0.00 N ATOM 834 CA LYS A 53 6.850 -5.000 -6.765 1.00 0.00 C ATOM 835 C LYS A 53 6.414 -6.447 -6.971 1.00 0.00 C ATOM 836 O LYS A 53 5.623 -6.700 -7.869 1.00 0.00 O ATOM 837 CB LYS A 53 8.230 -4.717 -7.401 1.00 0.00 C ATOM 838 CG LYS A 53 9.292 -5.831 -7.339 1.00 0.00 C ATOM 839 CD LYS A 53 10.577 -5.457 -8.093 1.00 0.00 C ATOM 840 CE LYS A 53 11.365 -6.692 -8.553 1.00 0.00 C ATOM 841 NZ LYS A 53 10.728 -7.378 -9.706 1.00 0.00 N ATOM 0 H LYS A 53 7.629 -4.414 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 53 6.176 -4.330 -7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.070 -4.465 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.645 -3.831 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.533 -6.042 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.879 -6.747 -7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.322 -4.848 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.209 -4.845 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.376 -6.392 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.454 -7.392 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.462 -7.689 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.196 -8.205 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.079 -6.721 -10.185 1.00 0.00 H new ATOM 855 N SER A 54 6.873 -7.364 -6.106 1.00 0.00 N ATOM 856 CA SER A 54 6.564 -8.794 -6.188 1.00 0.00 C ATOM 857 C SER A 54 5.061 -9.045 -6.180 1.00 0.00 C ATOM 858 O SER A 54 4.600 -9.858 -6.966 1.00 0.00 O ATOM 859 CB SER A 54 7.216 -9.599 -5.057 1.00 0.00 C ATOM 860 OG SER A 54 8.620 -9.459 -5.079 1.00 0.00 O ATOM 0 H SER A 54 7.478 -7.127 -5.320 1.00 0.00 H new ATOM 0 HA SER A 54 6.980 -9.134 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.829 -9.261 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.951 -10.652 -5.156 1.00 0.00 H new ATOM 0 HG SER A 54 8.880 -8.686 -4.536 1.00 0.00 H new ATOM 866 N GLU A 55 4.283 -8.335 -5.353 1.00 0.00 N ATOM 867 CA GLU A 55 2.821 -8.432 -5.374 1.00 0.00 C ATOM 868 C GLU A 55 2.223 -7.938 -6.711 1.00 0.00 C ATOM 869 O GLU A 55 1.405 -8.638 -7.308 1.00 0.00 O ATOM 870 CB GLU A 55 2.240 -7.648 -4.186 1.00 0.00 C ATOM 871 CG GLU A 55 0.877 -8.204 -3.740 1.00 0.00 C ATOM 872 CD GLU A 55 0.002 -7.203 -2.962 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.525 -6.158 -2.493 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.220 -7.467 -2.880 1.00 0.00 O ATOM 0 H GLU A 55 4.646 -7.684 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 55 2.548 -9.483 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.938 -7.686 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.131 -6.599 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.329 -8.538 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.044 -9.083 -3.117 1.00 0.00 H new ATOM 881 N LEU A 56 2.644 -6.765 -7.217 1.00 0.00 N ATOM 882 CA LEU A 56 2.198 -6.247 -8.530 1.00 0.00 C ATOM 883 C LEU A 56 2.520 -7.193 -9.685 1.00 0.00 C ATOM 884 O LEU A 56 1.691 -7.467 -10.548 1.00 0.00 O ATOM 885 CB LEU A 56 2.777 -4.845 -8.768 1.00 0.00 C ATOM 886 CG LEU A 56 2.222 -3.811 -7.772 1.00 0.00 C ATOM 887 CD1 LEU A 56 2.293 -2.454 -8.442 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.759 -4.038 -7.389 1.00 0.00 C ATOM 0 H LEU A 56 3.299 -6.150 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 56 1.111 -6.178 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.863 -4.883 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.548 -4.527 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 56 2.817 -3.893 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.907 -1.693 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.329 -2.225 -8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.694 -2.466 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.444 -3.268 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.137 -3.989 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.652 -5.019 -6.926 1.00 0.00 H new ATOM 900 N GLU A 57 3.738 -7.705 -9.646 1.00 0.00 N ATOM 901 CA GLU A 57 4.320 -8.704 -10.542 1.00 0.00 C ATOM 902 C GLU A 57 3.586 -10.057 -10.445 1.00 0.00 C ATOM 903 O GLU A 57 3.314 -10.688 -11.467 1.00 0.00 O ATOM 904 CB GLU A 57 5.815 -8.763 -10.186 1.00 0.00 C ATOM 905 CG GLU A 57 6.770 -9.426 -11.178 1.00 0.00 C ATOM 906 CD GLU A 57 8.170 -8.838 -10.939 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.828 -9.202 -9.937 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.559 -7.888 -11.663 1.00 0.00 O ATOM 0 H GLU A 57 4.404 -7.413 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 57 4.206 -8.435 -11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.159 -7.741 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.910 -9.285 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.779 -10.507 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.447 -9.241 -12.202 1.00 0.00 H new ATOM 915 N TYR A 58 3.164 -10.466 -9.240 1.00 0.00 N ATOM 916 CA TYR A 58 2.275 -11.606 -9.012 1.00 0.00 C ATOM 917 C TYR A 58 0.905 -11.388 -9.665 1.00 0.00 C ATOM 918 O TYR A 58 0.423 -12.271 -10.372 1.00 0.00 O ATOM 919 CB TYR A 58 2.133 -11.882 -7.507 1.00 0.00 C ATOM 920 CG TYR A 58 1.659 -13.279 -7.168 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.614 -14.297 -6.990 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.290 -13.556 -6.992 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.209 -15.602 -6.656 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.119 -14.856 -6.640 1.00 0.00 C ATOM 925 CZ TYR A 58 0.836 -15.883 -6.482 1.00 0.00 C ATOM 926 OH TYR A 58 0.425 -17.136 -6.155 1.00 0.00 O ATOM 0 H TYR A 58 3.441 -9.998 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 58 2.722 -12.482 -9.482 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.097 -11.712 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.434 -11.162 -7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.664 -14.075 -7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.443 -12.774 -7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.943 -16.384 -6.533 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.167 -15.068 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.552 -17.149 -6.074 1.00 0.00 H new ATOM 936 N TYR A 59 0.274 -10.220 -9.489 1.00 0.00 N ATOM 937 CA TYR A 59 -0.985 -9.936 -10.188 1.00 0.00 C ATOM 938 C TYR A 59 -0.811 -9.820 -11.707 1.00 0.00 C ATOM 939 O TYR A 59 -1.690 -10.271 -12.448 1.00 0.00 O ATOM 940 CB TYR A 59 -1.676 -8.693 -9.631 1.00 0.00 C ATOM 941 CG TYR A 59 -1.958 -8.727 -8.146 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.669 -9.808 -7.590 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.530 -7.670 -7.327 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.936 -9.848 -6.210 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.812 -7.695 -5.950 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.517 -8.781 -5.387 1.00 0.00 C ATOM 947 OH TYR A 59 -2.834 -8.784 -4.063 1.00 0.00 O ATOM 0 H TYR A 59 0.606 -9.471 -8.882 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.627 -10.797 -10.003 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.055 -7.824 -9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.618 -8.552 -10.161 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.011 -10.610 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.986 -6.840 -7.754 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.459 -10.691 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.488 -6.880 -5.320 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.019 -8.664 -3.531 1.00 0.00 H new ATOM 957 N ALA A 60 0.317 -9.285 -12.194 1.00 0.00 N ATOM 958 CA ALA A 60 0.689 -9.341 -13.605 1.00 0.00 C ATOM 959 C ALA A 60 0.783 -10.789 -14.154 1.00 0.00 C ATOM 960 O ALA A 60 0.454 -11.028 -15.318 1.00 0.00 O ATOM 961 CB ALA A 60 1.991 -8.567 -13.824 1.00 0.00 C ATOM 0 H ALA A 60 0.999 -8.799 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.110 -8.867 -14.176 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.267 -8.610 -14.878 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.851 -7.527 -13.528 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.784 -9.012 -13.223 1.00 0.00 H new ATOM 967 N MET A 61 1.191 -11.747 -13.306 1.00 0.00 N ATOM 968 CA MET A 61 1.262 -13.191 -13.579 1.00 0.00 C ATOM 969 C MET A 61 -0.087 -13.927 -13.426 1.00 0.00 C ATOM 970 O MET A 61 -0.347 -14.855 -14.199 1.00 0.00 O ATOM 971 CB MET A 61 2.367 -13.783 -12.681 1.00 0.00 C ATOM 972 CG MET A 61 2.546 -15.308 -12.733 1.00 0.00 C ATOM 973 SD MET A 61 1.344 -16.334 -11.826 1.00 0.00 S ATOM 974 CE MET A 61 1.541 -15.737 -10.125 1.00 0.00 C ATOM 0 H MET A 61 1.497 -11.522 -12.359 1.00 0.00 H new ATOM 0 HA MET A 61 1.511 -13.338 -14.630 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.314 -13.318 -12.954 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.158 -13.499 -11.650 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.525 -15.613 -13.779 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.541 -15.542 -12.353 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.076 -16.442 -9.436 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.602 -15.647 -9.891 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.064 -14.762 -10.024 1.00 0.00 H new ATOM 984 N LEU A 62 -0.952 -13.534 -12.475 1.00 0.00 N ATOM 985 CA LEU A 62 -2.326 -14.055 -12.344 1.00 0.00 C ATOM 986 C LEU A 62 -3.220 -13.587 -13.503 1.00 0.00 C ATOM 987 O LEU A 62 -3.816 -14.414 -14.196 1.00 0.00 O ATOM 988 CB LEU A 62 -2.963 -13.647 -11.003 1.00 0.00 C ATOM 989 CG LEU A 62 -2.379 -14.301 -9.736 1.00 0.00 C ATOM 990 CD1 LEU A 62 -3.266 -13.898 -8.552 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.336 -15.830 -9.799 1.00 0.00 C ATOM 0 H LEU A 62 -0.715 -12.838 -11.768 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.250 -15.142 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.876 -12.565 -10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.027 -13.879 -11.047 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.350 -13.956 -9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.878 -14.346 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.268 -12.813 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.284 -14.248 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.913 -16.221 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.347 -16.217 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.717 -16.142 -10.640 1.00 0.00 H new ATOM 1003 N SER A 63 -3.250 -12.273 -13.762 1.00 0.00 N ATOM 1004 CA SER A 63 -3.612 -11.720 -15.076 1.00 0.00 C ATOM 1005 C SER A 63 -2.612 -12.196 -16.149 1.00 0.00 C ATOM 1006 O SER A 63 -1.768 -13.049 -15.879 1.00 0.00 O ATOM 1007 CB SER A 63 -3.691 -10.188 -15.006 1.00 0.00 C ATOM 1008 OG SER A 63 -2.418 -9.623 -14.781 1.00 0.00 O ATOM 0 H SER A 63 -3.024 -11.562 -13.066 1.00 0.00 H new ATOM 0 HA SER A 63 -4.598 -12.086 -15.360 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.105 -9.799 -15.936 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.370 -9.892 -14.206 1.00 0.00 H new ATOM 0 HG SER A 63 -1.950 -10.137 -14.090 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.703 -11.724 -17.396 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.712 -12.077 -18.428 1.00 0.00 C ATOM 1016 C LYS A 64 -1.073 -10.807 -18.973 1.00 0.00 C ATOM 1017 O LYS A 64 -1.424 -10.326 -20.048 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.315 -13.050 -19.460 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.750 -14.390 -18.821 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.581 -15.270 -18.330 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.033 -16.348 -17.332 1.00 0.00 C ATOM 1022 NZ LYS A 64 -2.190 -15.818 -15.953 1.00 0.00 N ATOM 0 H LYS A 64 -3.444 -11.102 -17.718 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.883 -12.646 -18.007 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.176 -12.582 -19.938 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.583 -13.245 -20.243 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.410 -14.180 -17.979 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.333 -14.954 -19.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.107 -15.749 -19.187 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.827 -14.638 -17.860 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.980 -16.772 -17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.306 -17.160 -17.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.786 -16.465 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.256 -15.737 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.638 -14.880 -15.990 1.00 0.00 H new ATOM 1036 N THR A 65 -0.169 -10.251 -18.161 1.00 0.00 N ATOM 1037 CA THR A 65 0.164 -8.827 -18.181 1.00 0.00 C ATOM 1038 C THR A 65 1.676 -8.580 -18.207 1.00 0.00 C ATOM 1039 O THR A 65 2.432 -9.216 -17.474 1.00 0.00 O ATOM 1040 CB THR A 65 -0.458 -8.188 -16.931 1.00 0.00 C ATOM 1041 OG1 THR A 65 -1.867 -8.287 -16.915 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.105 -6.730 -16.694 1.00 0.00 C ATOM 0 H THR A 65 0.356 -10.783 -17.466 1.00 0.00 H new ATOM 0 HA THR A 65 -0.234 -8.381 -19.093 1.00 0.00 H new ATOM 0 HB THR A 65 -0.012 -8.776 -16.129 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.159 -8.661 -16.057 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.597 -6.380 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.975 -6.630 -16.583 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.440 -6.132 -17.542 1.00 0.00 H new ATOM 1050 N LYS A 66 2.119 -7.596 -19.004 1.00 0.00 N ATOM 1051 CA LYS A 66 3.501 -7.091 -19.014 1.00 0.00 C ATOM 1052 C LYS A 66 3.737 -6.140 -17.836 1.00 0.00 C ATOM 1053 O LYS A 66 2.870 -5.329 -17.517 1.00 0.00 O ATOM 1054 CB LYS A 66 3.729 -6.347 -20.341 1.00 0.00 C ATOM 1055 CG LYS A 66 5.131 -5.733 -20.554 1.00 0.00 C ATOM 1056 CD LYS A 66 6.265 -6.755 -20.748 1.00 0.00 C ATOM 1057 CE LYS A 66 6.077 -7.648 -21.984 1.00 0.00 C ATOM 1058 NZ LYS A 66 6.244 -6.920 -23.264 1.00 0.00 N ATOM 0 H LYS A 66 1.515 -7.119 -19.673 1.00 0.00 H new ATOM 0 HA LYS A 66 4.198 -7.924 -18.919 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.532 -7.040 -21.159 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.991 -5.548 -20.415 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.097 -5.081 -21.426 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.371 -5.105 -19.696 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.213 -6.223 -20.834 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.332 -7.385 -19.861 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.794 -8.468 -21.944 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.082 -8.093 -21.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.663 -7.372 -23.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.943 -5.932 -23.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.244 -6.945 -23.550 1.00 0.00 H new ATOM 1072 N VAL A 67 4.938 -6.192 -17.251 1.00 0.00 N ATOM 1073 CA VAL A 67 5.414 -5.269 -16.212 1.00 0.00 C ATOM 1074 C VAL A 67 6.452 -4.310 -16.799 1.00 0.00 C ATOM 1075 O VAL A 67 7.420 -4.753 -17.417 1.00 0.00 O ATOM 1076 CB VAL A 67 6.024 -6.043 -15.024 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.352 -5.093 -13.866 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.070 -7.119 -14.494 1.00 0.00 C ATOM 0 H VAL A 67 5.630 -6.901 -17.495 1.00 0.00 H new ATOM 0 HA VAL A 67 4.561 -4.697 -15.847 1.00 0.00 H new ATOM 0 HB VAL A 67 6.932 -6.516 -15.398 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.781 -5.661 -13.040 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.069 -4.344 -14.202 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.440 -4.598 -13.532 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.538 -7.640 -13.659 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.145 -6.651 -14.158 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.848 -7.832 -15.288 1.00 0.00 H new ATOM 1088 N TYR A 68 6.266 -3.004 -16.584 1.00 0.00 N ATOM 1089 CA TYR A 68 7.169 -1.946 -17.042 1.00 0.00 C ATOM 1090 C TYR A 68 7.646 -1.081 -15.861 1.00 0.00 C ATOM 1091 O TYR A 68 6.896 -0.269 -15.312 1.00 0.00 O ATOM 1092 CB TYR A 68 6.458 -1.124 -18.116 1.00 0.00 C ATOM 1093 CG TYR A 68 7.359 -0.238 -18.954 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.698 1.057 -18.514 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.831 -0.700 -20.196 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.478 1.906 -19.324 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.613 0.141 -21.007 1.00 0.00 C ATOM 1098 CZ TYR A 68 8.918 1.453 -20.588 1.00 0.00 C ATOM 1099 OH TYR A 68 9.624 2.272 -21.413 1.00 0.00 O ATOM 0 H TYR A 68 5.460 -2.645 -16.072 1.00 0.00 H new ATOM 0 HA TYR A 68 8.066 -2.384 -17.480 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.927 -1.806 -18.780 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.707 -0.498 -17.634 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.357 1.401 -17.549 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.593 -1.700 -20.526 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.738 2.897 -18.981 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.982 -0.219 -21.956 1.00 0.00 H new ATOM 0 HH TYR A 68 9.391 3.205 -21.225 1.00 0.00 H new ATOM 1109 N TYR A 69 8.908 -1.264 -15.461 1.00 0.00 N ATOM 1110 CA TYR A 69 9.542 -0.555 -14.347 1.00 0.00 C ATOM 1111 C TYR A 69 9.970 0.859 -14.759 1.00 0.00 C ATOM 1112 O TYR A 69 11.131 1.120 -15.090 1.00 0.00 O ATOM 1113 CB TYR A 69 10.697 -1.414 -13.811 1.00 0.00 C ATOM 1114 CG TYR A 69 10.179 -2.580 -12.995 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.586 -2.312 -11.748 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.214 -3.897 -13.496 1.00 0.00 C ATOM 1117 CE1 TYR A 69 9.014 -3.357 -11.006 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.642 -4.949 -12.754 1.00 0.00 C ATOM 1119 CZ TYR A 69 9.034 -4.675 -11.509 1.00 0.00 C ATOM 1120 OH TYR A 69 8.483 -5.676 -10.772 1.00 0.00 O ATOM 0 H TYR A 69 9.534 -1.928 -15.917 1.00 0.00 H new ATOM 0 HA TYR A 69 8.829 -0.410 -13.536 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.294 -1.786 -14.644 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.355 -0.800 -13.196 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.571 -1.303 -11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.680 -4.100 -14.449 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.558 -3.152 -10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.668 -5.959 -13.135 1.00 0.00 H new ATOM 0 HH TYR A 69 8.416 -6.486 -11.319 1.00 0.00 H new ATOM 1130 N PHE A 70 9.011 1.792 -14.721 1.00 0.00 N ATOM 1131 CA PHE A 70 9.148 3.116 -15.327 1.00 0.00 C ATOM 1132 C PHE A 70 10.021 4.031 -14.484 1.00 0.00 C ATOM 1133 O PHE A 70 10.689 4.891 -15.050 1.00 0.00 O ATOM 1134 CB PHE A 70 7.760 3.753 -15.497 1.00 0.00 C ATOM 1135 CG PHE A 70 7.752 5.181 -16.019 1.00 0.00 C ATOM 1136 CD1 PHE A 70 8.113 6.256 -15.181 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.420 5.434 -17.363 1.00 0.00 C ATOM 1138 CE1 PHE A 70 8.242 7.553 -15.698 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.557 6.734 -17.881 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.995 7.786 -17.059 1.00 0.00 C ATOM 0 H PHE A 70 8.111 1.645 -14.264 1.00 0.00 H new ATOM 0 HA PHE A 70 9.626 2.990 -16.298 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.176 3.133 -16.178 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.251 3.735 -14.533 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.292 6.079 -14.131 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.062 4.634 -17.993 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.530 8.369 -15.051 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.324 6.925 -18.918 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.141 8.772 -17.474 1.00 0.00 H new ATOM 1150 N GLN A 71 10.086 3.835 -13.166 1.00 0.00 N ATOM 1151 CA GLN A 71 10.553 4.835 -12.204 1.00 0.00 C ATOM 1152 C GLN A 71 11.893 5.467 -12.627 1.00 0.00 C ATOM 1153 O GLN A 71 12.922 4.797 -12.765 1.00 0.00 O ATOM 1154 CB GLN A 71 10.605 4.198 -10.797 1.00 0.00 C ATOM 1155 CG GLN A 71 11.669 3.106 -10.539 1.00 0.00 C ATOM 1156 CD GLN A 71 11.628 1.962 -11.553 1.00 0.00 C ATOM 1157 OE1 GLN A 71 10.823 1.049 -11.464 1.00 0.00 O ATOM 1158 NE2 GLN A 71 12.438 2.037 -12.594 1.00 0.00 N ATOM 0 H GLN A 71 9.809 2.957 -12.728 1.00 0.00 H new ATOM 0 HA GLN A 71 9.846 5.664 -12.178 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.763 4.997 -10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.626 3.768 -10.588 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.659 3.563 -10.558 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.525 2.699 -9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.109 2.802 -12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.392 1.330 -13.328 1.00 0.00 H new ATOM 1167 N GLY A 72 11.855 6.779 -12.891 1.00 0.00 N ATOM 1168 CA GLY A 72 12.972 7.582 -13.410 1.00 0.00 C ATOM 1169 C GLY A 72 14.064 7.886 -12.374 1.00 0.00 C ATOM 1170 O GLY A 72 14.805 8.849 -12.534 1.00 0.00 O ATOM 0 H GLY A 72 11.012 7.334 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.422 7.056 -14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.580 8.523 -13.795 1.00 0.00 H new ATOM 1174 N GLY A 73 14.040 7.160 -11.250 1.00 0.00 N ATOM 1175 CA GLY A 73 14.179 7.726 -9.904 1.00 0.00 C ATOM 1176 C GLY A 73 12.896 8.422 -9.407 1.00 0.00 C ATOM 1177 O GLY A 73 12.761 8.671 -8.210 1.00 0.00 O ATOM 0 H GLY A 73 13.922 6.147 -11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.448 6.931 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.999 8.444 -9.901 1.00 0.00 H new ATOM 1181 N ASN A 74 11.948 8.700 -10.315 1.00 0.00 N ATOM 1182 CA ASN A 74 10.837 9.645 -10.181 1.00 0.00 C ATOM 1183 C ASN A 74 9.561 9.156 -10.915 1.00 0.00 C ATOM 1184 O ASN A 74 9.481 8.009 -11.366 1.00 0.00 O ATOM 1185 CB ASN A 74 11.296 11.065 -10.624 1.00 0.00 C ATOM 1186 CG ASN A 74 12.640 11.124 -11.331 1.00 0.00 C ATOM 1187 OD1 ASN A 74 13.677 11.318 -10.719 1.00 0.00 O ATOM 1188 ND2 ASN A 74 12.644 10.911 -12.627 1.00 0.00 N ATOM 0 H ASN A 74 11.940 8.237 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 74 10.552 9.705 -9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.538 11.484 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.339 11.706 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.525 10.906 -13.140 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.766 10.751 -13.120 1.00 0.00 H new ATOM 1195 N ASN A 75 8.540 10.025 -10.949 1.00 0.00 N ATOM 1196 CA ASN A 75 7.124 9.749 -11.214 1.00 0.00 C ATOM 1197 C ASN A 75 6.591 10.448 -12.491 1.00 0.00 C ATOM 1198 O ASN A 75 5.378 10.616 -12.642 1.00 0.00 O ATOM 1199 CB ASN A 75 6.362 10.212 -9.957 1.00 0.00 C ATOM 1200 CG ASN A 75 5.060 9.473 -9.673 1.00 0.00 C ATOM 1201 OD1 ASN A 75 4.997 8.652 -8.768 1.00 0.00 O ATOM 1202 ND2 ASN A 75 3.995 9.799 -10.368 1.00 0.00 N ATOM 0 H ASN A 75 8.698 11.018 -10.778 1.00 0.00 H new ATOM 0 HA ASN A 75 6.980 8.686 -11.409 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.018 10.102 -9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.142 11.275 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.096 9.366 -10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.067 10.486 -11.119 1.00 0.00 H new ATOM 1209 N GLU A 76 7.472 10.910 -13.390 1.00 0.00 N ATOM 1210 CA GLU A 76 7.146 11.801 -14.518 1.00 0.00 C ATOM 1211 C GLU A 76 6.155 11.234 -15.559 1.00 0.00 C ATOM 1212 O GLU A 76 5.628 11.995 -16.372 1.00 0.00 O ATOM 1213 CB GLU A 76 8.434 12.349 -15.165 1.00 0.00 C ATOM 1214 CG GLU A 76 9.350 11.328 -15.864 1.00 0.00 C ATOM 1215 CD GLU A 76 10.229 10.471 -14.936 1.00 0.00 C ATOM 1216 OE1 GLU A 76 10.168 10.624 -13.691 1.00 0.00 O ATOM 1217 OE2 GLU A 76 10.972 9.621 -15.467 1.00 0.00 O ATOM 0 H GLU A 76 8.462 10.668 -13.353 1.00 0.00 H new ATOM 0 HA GLU A 76 6.589 12.628 -14.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.151 13.107 -15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.015 12.852 -14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.729 10.661 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.000 11.865 -16.555 1.00 0.00 H new ATOM 1224 N LEU A 77 5.799 9.943 -15.460 1.00 0.00 N ATOM 1225 CA LEU A 77 4.614 9.324 -16.074 1.00 0.00 C ATOM 1226 C LEU A 77 3.297 10.034 -15.718 1.00 0.00 C ATOM 1227 O LEU A 77 2.319 9.933 -16.463 1.00 0.00 O ATOM 1228 CB LEU A 77 4.570 7.854 -15.639 1.00 0.00 C ATOM 1229 CG LEU A 77 3.503 6.990 -16.337 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.724 6.862 -17.850 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.587 5.599 -15.722 1.00 0.00 C ATOM 0 H LEU A 77 6.354 9.273 -14.927 1.00 0.00 H new ATOM 0 HA LEU A 77 4.706 9.412 -17.156 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.549 7.410 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.397 7.816 -14.563 1.00 0.00 H new ATOM 0 HG LEU A 77 2.532 7.464 -16.196 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.939 6.241 -18.281 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.696 7.851 -18.307 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.694 6.402 -18.038 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.846 4.950 -16.188 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.583 5.188 -15.886 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.392 5.662 -14.651 1.00 0.00 H new ATOM 1243 N GLY A 78 3.290 10.819 -14.633 1.00 0.00 N ATOM 1244 CA GLY A 78 2.273 11.827 -14.341 1.00 0.00 C ATOM 1245 C GLY A 78 1.899 12.696 -15.546 1.00 0.00 C ATOM 1246 O GLY A 78 0.739 13.077 -15.677 1.00 0.00 O ATOM 0 H GLY A 78 4.014 10.766 -13.916 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.376 11.329 -13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.633 12.471 -13.538 1.00 0.00 H new ATOM 1250 N THR A 79 2.856 12.944 -16.450 1.00 0.00 N ATOM 1251 CA THR A 79 2.660 13.640 -17.728 1.00 0.00 C ATOM 1252 C THR A 79 1.591 12.949 -18.584 1.00 0.00 C ATOM 1253 O THR A 79 0.647 13.603 -19.020 1.00 0.00 O ATOM 1254 CB THR A 79 3.983 13.741 -18.515 1.00 0.00 C ATOM 1255 OG1 THR A 79 5.050 14.129 -17.678 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.893 14.766 -19.647 1.00 0.00 C ATOM 0 H THR A 79 3.823 12.655 -16.306 1.00 0.00 H new ATOM 0 HA THR A 79 2.315 14.648 -17.496 1.00 0.00 H new ATOM 0 HB THR A 79 4.164 12.748 -18.926 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.577 13.340 -17.433 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.845 14.807 -20.177 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.104 14.474 -20.340 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.666 15.748 -19.232 1.00 0.00 H new ATOM 1264 N ALA A 80 1.715 11.634 -18.811 1.00 0.00 N ATOM 1265 CA ALA A 80 0.769 10.854 -19.605 1.00 0.00 C ATOM 1266 C ALA A 80 -0.609 10.691 -18.952 1.00 0.00 C ATOM 1267 O ALA A 80 -1.621 10.695 -19.651 1.00 0.00 O ATOM 1268 CB ALA A 80 1.366 9.468 -19.865 1.00 0.00 C ATOM 0 H ALA A 80 2.487 11.079 -18.441 1.00 0.00 H new ATOM 0 HA ALA A 80 0.608 11.407 -20.531 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.668 8.876 -20.457 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.305 9.572 -20.408 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.550 8.967 -18.915 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.651 10.502 -17.626 1.00 0.00 N ATOM 1275 CA VAL A 81 -1.899 10.168 -16.918 1.00 0.00 C ATOM 1276 C VAL A 81 -2.650 11.400 -16.393 1.00 0.00 C ATOM 1277 O VAL A 81 -3.827 11.293 -16.036 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.655 9.138 -15.798 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -0.948 7.884 -16.331 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -0.829 9.679 -14.632 1.00 0.00 C ATOM 0 H VAL A 81 0.166 10.574 -17.019 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.552 9.712 -17.662 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.652 8.895 -15.430 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.792 7.179 -15.514 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.564 7.418 -17.100 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.015 8.163 -16.758 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.700 8.897 -13.884 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.148 9.999 -14.995 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.345 10.528 -14.184 1.00 0.00 H new ATOM 1290 N GLY A 82 -1.992 12.564 -16.321 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.521 13.842 -15.834 1.00 0.00 C ATOM 1292 C GLY A 82 -2.645 13.897 -14.309 1.00 0.00 C ATOM 1293 O GLY A 82 -2.206 14.856 -13.676 1.00 0.00 O ATOM 0 H GLY A 82 -1.020 12.642 -16.619 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.870 14.650 -16.169 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.501 14.016 -16.279 1.00 0.00 H new ATOM 1297 N LYS A 83 -3.218 12.850 -13.705 1.00 0.00 N ATOM 1298 CA LYS A 83 -3.328 12.647 -12.256 1.00 0.00 C ATOM 1299 C LYS A 83 -1.959 12.227 -11.693 1.00 0.00 C ATOM 1300 O LYS A 83 -1.754 11.092 -11.279 1.00 0.00 O ATOM 1301 CB LYS A 83 -4.445 11.630 -11.935 1.00 0.00 C ATOM 1302 CG LYS A 83 -5.884 12.134 -12.186 1.00 0.00 C ATOM 1303 CD LYS A 83 -6.363 12.158 -13.649 1.00 0.00 C ATOM 1304 CE LYS A 83 -6.507 10.748 -14.233 1.00 0.00 C ATOM 1305 NZ LYS A 83 -6.519 10.768 -15.713 1.00 0.00 N ATOM 0 H LYS A 83 -3.636 12.087 -14.237 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.612 13.580 -11.769 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.281 10.734 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.357 11.336 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.569 11.508 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.966 13.144 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.322 12.674 -13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.657 12.729 -14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.685 10.124 -13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.429 10.295 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.036 9.938 -16.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.988 11.635 -16.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.542 10.745 -16.068 1.00 0.00 H new ATOM 1319 N LEU A 84 -1.012 13.167 -11.716 1.00 0.00 N ATOM 1320 CA LEU A 84 0.433 13.037 -11.481 1.00 0.00 C ATOM 1321 C LEU A 84 0.905 12.565 -10.086 1.00 0.00 C ATOM 1322 O LEU A 84 2.063 12.783 -9.731 1.00 0.00 O ATOM 1323 CB LEU A 84 1.113 14.354 -11.923 1.00 0.00 C ATOM 1324 CG LEU A 84 0.993 15.572 -10.977 1.00 0.00 C ATOM 1325 CD1 LEU A 84 1.824 16.725 -11.549 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -0.441 16.079 -10.782 1.00 0.00 C ATOM 0 H LEU A 84 -1.260 14.135 -11.920 1.00 0.00 H new ATOM 0 HA LEU A 84 0.751 12.190 -12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.173 14.150 -12.076 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.700 14.638 -12.891 1.00 0.00 H new ATOM 0 HG LEU A 84 1.351 15.236 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.747 17.590 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.867 16.419 -11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.449 16.988 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.436 16.934 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.854 16.381 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.054 15.284 -10.357 1.00 0.00 H new ATOM 1338 N PHE A 85 0.039 11.942 -9.281 1.00 0.00 N ATOM 1339 CA PHE A 85 0.355 11.530 -7.914 1.00 0.00 C ATOM 1340 C PHE A 85 1.413 10.411 -7.831 1.00 0.00 C ATOM 1341 O PHE A 85 1.684 9.692 -8.799 1.00 0.00 O ATOM 1342 CB PHE A 85 -0.947 11.149 -7.183 1.00 0.00 C ATOM 1343 CG PHE A 85 -1.742 9.986 -7.759 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -1.298 8.662 -7.582 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -2.968 10.217 -8.417 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -2.064 7.582 -8.051 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -3.744 9.136 -8.873 1.00 0.00 C ATOM 1348 CZ PHE A 85 -3.298 7.818 -8.680 1.00 0.00 C ATOM 0 H PHE A 85 -0.912 11.708 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 85 0.817 12.381 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.699 10.912 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.594 12.026 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.360 8.475 -7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.313 11.229 -8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.705 6.571 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.684 9.320 -9.372 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.902 6.988 -9.014 1.00 0.00 H new ATOM 1358 N ARG A 86 1.971 10.231 -6.624 1.00 0.00 N ATOM 1359 CA ARG A 86 2.749 9.051 -6.225 1.00 0.00 C ATOM 1360 C ARG A 86 1.843 8.081 -5.452 1.00 0.00 C ATOM 1361 O ARG A 86 0.938 8.516 -4.749 1.00 0.00 O ATOM 1362 CB ARG A 86 3.934 9.451 -5.328 1.00 0.00 C ATOM 1363 CG ARG A 86 4.882 10.502 -5.938 1.00 0.00 C ATOM 1364 CD ARG A 86 6.359 10.109 -5.778 1.00 0.00 C ATOM 1365 NE ARG A 86 6.709 9.009 -6.693 1.00 0.00 N ATOM 1366 CZ ARG A 86 7.882 8.422 -6.860 1.00 0.00 C ATOM 1367 NH1 ARG A 86 8.904 8.675 -6.081 1.00 0.00 N ATOM 1368 NH2 ARG A 86 8.074 7.557 -7.828 1.00 0.00 N ATOM 0 H ARG A 86 1.890 10.923 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 86 3.136 8.574 -7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.544 9.837 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.510 8.557 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.653 10.626 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.710 11.466 -5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.994 10.972 -5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.550 9.807 -4.748 1.00 0.00 H new ATOM 0 HE ARG A 86 5.948 8.654 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.809 9.343 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.795 8.204 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.312 7.328 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.985 7.114 -7.942 1.00 0.00 H new ATOM 1382 N VAL A 87 2.070 6.768 -5.483 1.00 0.00 N ATOM 1383 CA VAL A 87 2.945 5.989 -6.372 1.00 0.00 C ATOM 1384 C VAL A 87 2.426 6.008 -7.818 1.00 0.00 C ATOM 1385 O VAL A 87 1.242 5.755 -8.042 1.00 0.00 O ATOM 1386 CB VAL A 87 3.046 4.531 -5.862 1.00 0.00 C ATOM 1387 CG1 VAL A 87 4.015 4.463 -4.674 1.00 0.00 C ATOM 1388 CG2 VAL A 87 1.718 3.881 -5.437 1.00 0.00 C ATOM 0 H VAL A 87 1.598 6.156 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 87 3.935 6.445 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 87 3.401 3.964 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.083 3.435 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.001 4.804 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.650 5.102 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.904 2.862 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.273 4.458 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.034 3.861 -6.286 1.00 0.00 H new ATOM 1398 N GLY A 88 3.292 6.274 -8.810 1.00 0.00 N ATOM 1399 CA GLY A 88 2.885 6.435 -10.210 1.00 0.00 C ATOM 1400 C GLY A 88 2.662 5.103 -10.928 1.00 0.00 C ATOM 1401 O GLY A 88 3.161 4.885 -12.029 1.00 0.00 O ATOM 0 H GLY A 88 4.295 6.383 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.966 7.020 -10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.649 7.004 -10.741 1.00 0.00 H new ATOM 1405 N VAL A 89 1.948 4.180 -10.286 1.00 0.00 N ATOM 1406 CA VAL A 89 1.579 2.896 -10.875 1.00 0.00 C ATOM 1407 C VAL A 89 0.308 3.048 -11.712 1.00 0.00 C ATOM 1408 O VAL A 89 -0.675 3.662 -11.290 1.00 0.00 O ATOM 1409 CB VAL A 89 1.482 1.809 -9.789 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.343 2.019 -8.788 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.348 0.420 -10.411 1.00 0.00 C ATOM 0 H VAL A 89 1.607 4.305 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 89 2.360 2.564 -11.559 1.00 0.00 H new ATOM 0 HB VAL A 89 2.416 1.889 -9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.346 1.209 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.480 2.971 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.610 2.027 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.282 -0.328 -9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.448 0.381 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.219 0.214 -11.033 1.00 0.00 H new ATOM 1421 N VAL A 90 0.353 2.482 -12.918 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.673 2.557 -13.960 1.00 0.00 C ATOM 1423 C VAL A 90 -0.940 1.140 -14.454 1.00 0.00 C ATOM 1424 O VAL A 90 -0.076 0.261 -14.363 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.200 3.446 -15.137 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.301 3.726 -16.174 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.385 4.781 -14.655 1.00 0.00 C ATOM 0 H VAL A 90 1.155 1.925 -13.212 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.581 3.002 -13.553 1.00 0.00 H new ATOM 0 HB VAL A 90 0.581 2.863 -15.625 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.900 4.354 -16.970 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.651 2.784 -16.596 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.133 4.239 -15.692 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.703 5.370 -15.515 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.374 5.331 -14.099 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.242 4.591 -14.009 1.00 0.00 H new ATOM 1437 N SER A 91 -2.118 0.864 -15.008 1.00 0.00 N ATOM 1438 CA SER A 91 -2.317 -0.357 -15.789 1.00 0.00 C ATOM 1439 C SER A 91 -3.339 -0.135 -16.905 1.00 0.00 C ATOM 1440 O SER A 91 -4.231 0.698 -16.750 1.00 0.00 O ATOM 1441 CB SER A 91 -2.721 -1.509 -14.865 1.00 0.00 C ATOM 1442 OG SER A 91 -1.873 -1.564 -13.727 1.00 0.00 O ATOM 0 H SER A 91 -2.942 1.461 -14.933 1.00 0.00 H new ATOM 0 HA SER A 91 -1.377 -0.625 -16.271 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.756 -1.380 -14.547 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.669 -2.452 -15.409 1.00 0.00 H new ATOM 0 HG SER A 91 -0.999 -1.182 -13.952 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.215 -0.882 -18.012 1.00 0.00 N ATOM 1449 CA ILE A 92 -4.073 -0.802 -19.203 1.00 0.00 C ATOM 1450 C ILE A 92 -4.738 -2.164 -19.465 1.00 0.00 C ATOM 1451 O ILE A 92 -4.102 -3.230 -19.377 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.298 -0.310 -20.454 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.394 0.924 -20.214 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.262 -0.021 -21.619 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -3.127 2.223 -19.876 1.00 0.00 C ATOM 0 H ILE A 92 -2.484 -1.587 -18.106 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.847 -0.061 -19.005 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.630 -1.133 -20.706 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.705 0.695 -19.402 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.791 1.090 -21.107 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.695 0.322 -22.484 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.803 -0.931 -21.878 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.972 0.751 -21.321 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.401 3.022 -19.728 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.795 2.487 -20.695 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.708 2.086 -18.964 1.00 0.00 H new ATOM 1467 N LEU A 93 -6.034 -2.089 -19.796 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.965 -3.208 -19.914 1.00 0.00 C ATOM 1469 C LEU A 93 -7.565 -3.333 -21.324 1.00 0.00 C ATOM 1470 O LEU A 93 -7.649 -4.444 -21.847 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.081 -3.062 -18.861 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.617 -2.964 -17.391 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.381 -1.524 -16.913 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -8.697 -3.562 -16.491 1.00 0.00 C ATOM 0 H LEU A 93 -6.481 -1.195 -19.999 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.404 -4.125 -19.734 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.662 -2.171 -19.098 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.754 -3.915 -18.953 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.670 -3.500 -17.334 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.057 -1.535 -15.872 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.611 -1.058 -17.528 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.307 -0.956 -16.999 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.380 -3.498 -15.450 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.627 -3.009 -16.622 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.856 -4.607 -16.758 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.937 -2.213 -21.956 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.312 -2.148 -23.372 1.00 0.00 C ATOM 1488 C GLU A 94 -7.670 -0.913 -24.014 1.00 0.00 C ATOM 1489 O GLU A 94 -8.169 0.203 -23.854 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.836 -2.117 -23.609 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.639 -3.310 -23.075 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.285 -2.997 -21.724 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -12.350 -2.339 -21.741 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -10.722 -3.430 -20.691 1.00 0.00 O ATOM 0 H GLU A 94 -7.986 -1.309 -21.487 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.944 -3.065 -23.833 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.233 -1.209 -23.155 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.012 -2.041 -24.682 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.412 -3.580 -23.794 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.983 -4.174 -22.973 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.563 -1.101 -24.743 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.937 -0.031 -25.517 1.00 0.00 C ATOM 1503 C ALA A 95 -6.739 0.276 -26.797 1.00 0.00 C ATOM 1504 O ALA A 95 -6.281 0.040 -27.913 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.478 -0.382 -25.810 1.00 0.00 C ATOM 0 H ALA A 95 -6.080 -1.997 -24.811 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.944 0.885 -24.926 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.019 0.421 -26.387 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.938 -0.508 -24.871 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.434 -1.310 -26.381 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.955 0.807 -26.636 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.916 1.076 -27.714 1.00 0.00 C ATOM 1513 C GLY A 96 -8.539 2.205 -28.681 1.00 0.00 C ATOM 1514 O GLY A 96 -9.444 2.830 -29.229 1.00 0.00 O ATOM 0 H GLY A 96 -8.312 1.072 -25.718 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.052 0.161 -28.290 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.879 1.316 -27.264 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.244 2.487 -28.878 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.767 3.658 -29.614 1.00 0.00 C ATOM 1520 C ASP A 97 -5.593 3.264 -30.533 1.00 0.00 C ATOM 1521 O ASP A 97 -5.811 3.047 -31.724 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.422 4.768 -28.607 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.623 6.151 -29.211 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.790 6.601 -30.031 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.653 6.788 -28.865 1.00 0.00 O ATOM 0 H ASP A 97 -6.490 1.898 -28.524 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.541 4.050 -30.274 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.047 4.663 -27.720 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.387 4.658 -28.283 1.00 0.00 H new ATOM 1530 N SER A 98 -4.374 3.105 -29.990 1.00 0.00 N ATOM 1531 CA SER A 98 -3.293 2.334 -30.618 1.00 0.00 C ATOM 1532 C SER A 98 -3.025 1.019 -29.881 1.00 0.00 C ATOM 1533 O SER A 98 -3.296 0.848 -28.697 1.00 0.00 O ATOM 1534 CB SER A 98 -2.006 3.164 -30.771 1.00 0.00 C ATOM 1535 OG SER A 98 -1.179 2.697 -31.834 1.00 0.00 O ATOM 0 H SER A 98 -4.111 3.513 -29.093 1.00 0.00 H new ATOM 0 HA SER A 98 -3.634 2.079 -31.621 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.269 4.206 -30.950 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.444 3.133 -29.837 1.00 0.00 H new ATOM 0 HG SER A 98 -0.583 1.994 -31.500 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.323 0.156 -30.597 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.825 -1.196 -30.367 1.00 0.00 C ATOM 1543 C ASP A 99 -0.998 -1.473 -29.087 1.00 0.00 C ATOM 1544 O ASP A 99 -0.438 -2.568 -28.989 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.913 -1.447 -31.584 1.00 0.00 C ATOM 1546 CG ASP A 99 0.326 -0.535 -31.527 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.184 0.714 -31.535 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.447 -1.053 -31.337 1.00 0.00 O ATOM 0 H ASP A 99 -2.036 0.448 -31.531 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.692 -1.843 -30.233 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -0.602 -2.492 -31.604 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.466 -1.262 -32.505 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.860 -0.535 -28.132 1.00 0.00 N ATOM 1554 CA ILE A 100 0.207 -0.598 -27.109 1.00 0.00 C ATOM 1555 C ILE A 100 0.265 -1.959 -26.403 1.00 0.00 C ATOM 1556 O ILE A 100 1.338 -2.559 -26.325 1.00 0.00 O ATOM 1557 CB ILE A 100 0.176 0.592 -26.110 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.585 0.821 -25.518 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.810 0.395 -24.942 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.725 2.090 -24.666 1.00 0.00 C ATOM 0 H ILE A 100 -1.472 0.276 -28.045 1.00 0.00 H new ATOM 0 HA ILE A 100 1.143 -0.493 -27.657 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.161 1.454 -26.686 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.852 -0.041 -24.907 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.304 0.868 -26.336 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.776 1.265 -24.287 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.820 0.275 -25.335 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.532 -0.495 -24.377 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.746 2.167 -24.293 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.494 2.964 -25.275 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.034 2.041 -23.824 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.880 -2.498 -25.959 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.882 -3.736 -25.183 1.00 0.00 C ATOM 1574 C LEU A 101 -0.852 -5.010 -26.051 1.00 0.00 C ATOM 1575 O LEU A 101 -0.983 -6.107 -25.514 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.912 -3.713 -24.032 1.00 0.00 C ATOM 1577 CG LEU A 101 -3.350 -4.207 -24.279 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.308 -3.597 -23.250 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.858 -3.927 -25.674 1.00 0.00 C ATOM 0 H LEU A 101 -1.804 -2.098 -26.124 1.00 0.00 H new ATOM 0 HA LEU A 101 0.076 -3.789 -24.666 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.500 -4.307 -23.216 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.978 -2.685 -23.676 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.317 -5.291 -24.169 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.320 -3.956 -23.438 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.999 -3.891 -22.247 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.287 -2.510 -23.333 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.876 -4.303 -25.773 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.849 -2.852 -25.856 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.216 -4.423 -26.402 1.00 0.00 H new ATOM 1591 N THR A 102 -0.683 -4.902 -27.379 1.00 0.00 N ATOM 1592 CA THR A 102 -0.223 -6.016 -28.223 1.00 0.00 C ATOM 1593 C THR A 102 1.204 -5.878 -28.777 1.00 0.00 C ATOM 1594 O THR A 102 1.710 -6.883 -29.276 1.00 0.00 O ATOM 1595 CB THR A 102 -1.238 -6.389 -29.315 1.00 0.00 C ATOM 1596 OG1 THR A 102 -0.830 -7.609 -29.890 1.00 0.00 O ATOM 1597 CG2 THR A 102 -1.390 -5.361 -30.435 1.00 0.00 C ATOM 0 H THR A 102 -0.861 -4.041 -27.897 1.00 0.00 H new ATOM 0 HA THR A 102 -0.161 -6.856 -27.531 1.00 0.00 H new ATOM 0 HB THR A 102 -2.209 -6.446 -28.823 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.147 -7.679 -29.850 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.127 -5.714 -31.156 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.720 -4.411 -30.015 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.431 -5.223 -30.935 1.00 0.00 H new ATOM 1605 N THR A 103 1.843 -4.699 -28.728 1.00 0.00 N ATOM 1606 CA THR A 103 3.243 -4.509 -29.171 1.00 0.00 C ATOM 1607 C THR A 103 4.240 -4.294 -28.031 1.00 0.00 C ATOM 1608 O THR A 103 5.299 -4.915 -28.022 1.00 0.00 O ATOM 1609 CB THR A 103 3.369 -3.381 -30.206 1.00 0.00 C ATOM 1610 OG1 THR A 103 2.825 -2.172 -29.709 1.00 0.00 O ATOM 1611 CG2 THR A 103 2.681 -3.771 -31.516 1.00 0.00 C ATOM 0 H THR A 103 1.407 -3.845 -28.380 1.00 0.00 H new ATOM 0 HA THR A 103 3.511 -5.455 -29.641 1.00 0.00 H new ATOM 0 HB THR A 103 4.430 -3.224 -30.401 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.961 -2.001 -30.139 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.782 -2.959 -32.236 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.146 -4.671 -31.917 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.624 -3.961 -31.329 1.00 0.00 H new ATOM 1619 N LEU A 104 3.920 -3.414 -27.079 1.00 0.00 N ATOM 1620 CA LEU A 104 4.733 -3.111 -25.895 1.00 0.00 C ATOM 1621 C LEU A 104 4.475 -4.132 -24.772 1.00 0.00 C ATOM 1622 O LEU A 104 5.391 -4.440 -24.003 1.00 0.00 O ATOM 1623 CB LEU A 104 4.431 -1.641 -25.525 1.00 0.00 C ATOM 1624 CG LEU A 104 5.003 -0.989 -24.252 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.210 -1.352 -22.992 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.499 -1.230 -24.056 1.00 0.00 C ATOM 0 H LEU A 104 3.056 -2.872 -27.111 1.00 0.00 H new ATOM 0 HA LEU A 104 5.802 -3.206 -26.084 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.759 -1.031 -26.366 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.347 -1.547 -25.467 1.00 0.00 H new ATOM 0 HG LEU A 104 4.885 0.082 -24.415 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.659 -0.864 -22.127 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.178 -1.018 -23.102 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.228 -2.432 -22.849 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.829 -0.741 -23.140 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.689 -2.301 -23.984 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.048 -0.820 -24.904 1.00 0.00 H new ATOM 1638 N ALA A 105 3.257 -4.692 -24.695 1.00 0.00 N ATOM 1639 CA ALA A 105 2.889 -5.741 -23.735 1.00 0.00 C ATOM 1640 C ALA A 105 2.952 -7.172 -24.307 1.00 0.00 C ATOM 1641 O ALA A 105 4.089 -7.611 -24.584 1.00 0.00 O ATOM 1642 CB ALA A 105 1.559 -5.384 -23.074 1.00 0.00 C ATOM 1643 OXT ALA A 105 1.890 -7.833 -24.387 1.00 0.00 O ATOM 0 H ALA A 105 2.489 -4.423 -25.309 1.00 0.00 H new ATOM 0 HA ALA A 105 3.651 -5.767 -22.956 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.286 -6.163 -22.362 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.656 -4.432 -22.552 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.784 -5.302 -23.836 1.00 0.00 H new TER 1649 ALA A 105