USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 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 30 THR OG1 : rot 140:sc= 1.21 USER MOD Set 1.2: A 91 SER OG : rot -26:sc= 1.85 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 140:sc= 1.31 (180deg=0.555) USER MOD Set 2.2: A 69 TYR OH : rot 167:sc= 1.35 USER MOD Set 3.1: A 6 SER OG : rot -131:sc= 2.05 USER MOD Set 3.2: A 7 GLN : amide:sc= 0.559 K(o=4,f=-0.47!) USER MOD Set 3.3: A 68 TYR OH : rot -9:sc= 1.36 USER MOD Set 4.1: A 39 SER OG : rot 164:sc= 1.01 USER MOD Set 4.2: A 40 LYS NZ :NH3+ -173:sc= 2.23 (180deg=2) USER MOD Set 4.3: A 63 SER OG : rot -39:sc= 2.27 USER MOD Set 4.4: A 65 THR OG1 : rot 64:sc= 1.2 USER MOD Set 5.1: A 32 LYS NZ :NH3+ -163:sc= 1.28 (180deg=-0.00797) USER MOD Set 5.2: A 36 GLN : amide:sc= 1.13 K(o=2.4,f=-7.7) USER MOD Set 6.1: A 24 THR OG1 : rot 161:sc= 1.27 USER MOD Set 6.2: A 33 SER OG : rot 51:sc= 2.11 USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= 2.44 (180deg=2.24) USER MOD Single : A 9 SER OG : rot 29:sc= 1.01 USER MOD Single : A 11 ASN : amide:sc=-0.00149 K(o=-0.0015,f=-3.1) USER MOD Single : A 12 GLN : amide:sc= 0.808 K(o=0.81,f=-0.078) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0327! (180deg=-0.496!) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 1.32 (180deg=1.17) USER MOD Single : A 20 SER OG : rot -35:sc= 0.845 USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= 1.18 (180deg=-0.497!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -175:sc= 1.65 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 140:sc= 1.25 USER MOD Single : A 38 LYS NZ :NH3+ 135:sc= 3.18 (180deg=-0.569) USER MOD Single : A 47 ASN : amide:sc= 1.01 K(o=1,f=-4.4!) USER MOD Single : A 48 THR OG1 : rot 93:sc= 1.33 USER MOD Single : A 54 SER OG : rot -32:sc= 1.17 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -177:sc= 1.75 USER MOD Single : A 61 MET CE :methyl 174:sc= -0.0494 (180deg=-0.136) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 2.17 (180deg=1.92) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 3.05 (180deg=2.95) USER MOD Single : A 71 GLN : amide:sc= 0.203 K(o=0.2,f=-0.44) USER MOD Single : A 74 ASN : amide:sc= 0.857 K(o=0.86,f=-4.1!) USER MOD Single : A 75 ASN : amide:sc= 1.21 K(o=1.2,f=-4.5!) USER MOD Single : A 79 THR OG1 : rot 94:sc= 1.81 USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= 2.4 (180deg=2.05) USER MOD Single : A 98 SER OG : rot -102:sc= 1.06 USER MOD Single : A 102 THR OG1 : rot -35:sc= 0.88 USER MOD Single : A 103 THR OG1 : rot -175:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 13.896 -6.892 -18.799 1.00 0.00 N ATOM 2 CA ALA A 2 13.841 -5.428 -18.598 1.00 0.00 C ATOM 3 C ALA A 2 13.290 -4.760 -19.860 1.00 0.00 C ATOM 4 O ALA A 2 13.338 -5.400 -20.910 1.00 0.00 O ATOM 5 CB ALA A 2 15.234 -4.886 -18.252 1.00 0.00 C ATOM 0 HA ALA A 2 13.177 -5.201 -17.764 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.179 -3.807 -18.107 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.591 -5.358 -17.336 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.923 -5.108 -19.067 1.00 0.00 H new ATOM 13 N PRO A 3 12.756 -3.526 -19.775 1.00 0.00 N ATOM 14 CA PRO A 3 12.398 -2.715 -20.939 1.00 0.00 C ATOM 15 C PRO A 3 13.524 -2.524 -21.964 1.00 0.00 C ATOM 16 O PRO A 3 14.701 -2.707 -21.644 1.00 0.00 O ATOM 17 CB PRO A 3 11.994 -1.356 -20.363 1.00 0.00 C ATOM 18 CG PRO A 3 11.454 -1.703 -18.978 1.00 0.00 C ATOM 19 CD PRO A 3 12.407 -2.819 -18.547 1.00 0.00 C ATOM 0 HA PRO A 3 11.609 -3.221 -21.496 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.844 -0.676 -20.304 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.238 -0.868 -20.978 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.488 -0.851 -18.300 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.418 -2.040 -19.015 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.294 -2.412 -18.062 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.930 -3.488 -17.830 1.00 0.00 H new ATOM 27 N VAL A 4 13.169 -2.061 -23.172 1.00 0.00 N ATOM 28 CA VAL A 4 14.132 -1.417 -24.086 1.00 0.00 C ATOM 29 C VAL A 4 14.289 0.069 -23.695 1.00 0.00 C ATOM 30 O VAL A 4 13.762 0.496 -22.668 1.00 0.00 O ATOM 31 CB VAL A 4 13.726 -1.685 -25.558 1.00 0.00 C ATOM 32 CG1 VAL A 4 12.637 -0.755 -26.107 1.00 0.00 C ATOM 33 CG2 VAL A 4 14.928 -1.662 -26.514 1.00 0.00 C ATOM 0 H VAL A 4 12.220 -2.120 -23.542 1.00 0.00 H new ATOM 0 HA VAL A 4 15.128 -1.849 -23.992 1.00 0.00 H new ATOM 0 HB VAL A 4 13.303 -2.689 -25.519 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.421 -1.019 -27.142 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.732 -0.861 -25.509 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.983 0.278 -26.061 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.588 -1.855 -27.531 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.408 -0.684 -26.472 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.643 -2.430 -26.218 1.00 0.00 H new ATOM 43 N LYS A 5 14.972 0.895 -24.501 1.00 0.00 N ATOM 44 CA LYS A 5 15.076 2.363 -24.353 1.00 0.00 C ATOM 45 C LYS A 5 13.736 3.142 -24.400 1.00 0.00 C ATOM 46 O LYS A 5 13.730 4.339 -24.676 1.00 0.00 O ATOM 47 CB LYS A 5 16.065 2.915 -25.401 1.00 0.00 C ATOM 48 CG LYS A 5 15.535 2.840 -26.852 1.00 0.00 C ATOM 49 CD LYS A 5 16.030 3.980 -27.761 1.00 0.00 C ATOM 50 CE LYS A 5 15.647 5.405 -27.312 1.00 0.00 C ATOM 51 NZ LYS A 5 14.197 5.572 -27.059 1.00 0.00 N ATOM 0 H LYS A 5 15.490 0.549 -25.309 1.00 0.00 H new ATOM 0 HA LYS A 5 15.443 2.529 -23.340 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.295 3.953 -25.160 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.000 2.358 -25.335 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.833 1.886 -27.288 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.445 2.854 -26.831 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.116 3.920 -27.830 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.637 3.817 -28.765 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.198 5.652 -26.404 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.959 6.115 -28.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.961 6.585 -27.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.657 5.101 -27.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.954 5.148 -26.141 1.00 0.00 H new ATOM 65 N SER A 6 12.592 2.479 -24.235 1.00 0.00 N ATOM 66 CA SER A 6 11.220 2.933 -24.485 1.00 0.00 C ATOM 67 C SER A 6 10.708 4.060 -23.565 1.00 0.00 C ATOM 68 O SER A 6 9.524 4.381 -23.630 1.00 0.00 O ATOM 69 CB SER A 6 10.304 1.690 -24.427 1.00 0.00 C ATOM 70 OG SER A 6 10.581 0.899 -23.279 1.00 0.00 O ATOM 0 H SER A 6 12.601 1.519 -23.890 1.00 0.00 H new ATOM 0 HA SER A 6 11.207 3.402 -25.469 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.261 2.005 -24.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.443 1.091 -25.327 1.00 0.00 H new ATOM 0 HG SER A 6 10.676 -0.040 -23.544 1.00 0.00 H new ATOM 76 N GLN A 7 11.549 4.664 -22.713 1.00 0.00 N ATOM 77 CA GLN A 7 11.140 5.504 -21.576 1.00 0.00 C ATOM 78 C GLN A 7 10.485 6.848 -21.952 1.00 0.00 C ATOM 79 O GLN A 7 9.658 7.339 -21.187 1.00 0.00 O ATOM 80 CB GLN A 7 12.338 5.755 -20.643 1.00 0.00 C ATOM 81 CG GLN A 7 12.771 4.514 -19.843 1.00 0.00 C ATOM 82 CD GLN A 7 13.400 3.426 -20.709 1.00 0.00 C ATOM 83 OE1 GLN A 7 14.393 3.638 -21.385 1.00 0.00 O ATOM 84 NE2 GLN A 7 12.811 2.250 -20.772 1.00 0.00 N ATOM 0 H GLN A 7 12.562 4.580 -22.798 1.00 0.00 H new ATOM 0 HA GLN A 7 10.362 4.932 -21.070 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.182 6.106 -21.237 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.084 6.554 -19.947 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.484 4.816 -19.076 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.904 4.102 -19.327 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.980 2.065 -20.210 1.00 0.00 H new ATOM 0 HE22 GLN A 7 13.186 1.524 -21.383 1.00 0.00 H new ATOM 93 N GLU A 8 10.789 7.439 -23.116 1.00 0.00 N ATOM 94 CA GLU A 8 10.029 8.606 -23.607 1.00 0.00 C ATOM 95 C GLU A 8 8.743 8.158 -24.322 1.00 0.00 C ATOM 96 O GLU A 8 7.657 8.710 -24.124 1.00 0.00 O ATOM 97 CB GLU A 8 10.916 9.516 -24.486 1.00 0.00 C ATOM 98 CG GLU A 8 11.205 9.082 -25.937 1.00 0.00 C ATOM 99 CD GLU A 8 12.020 7.789 -26.052 1.00 0.00 C ATOM 100 OE1 GLU A 8 11.412 6.686 -26.039 1.00 0.00 O ATOM 101 OE2 GLU A 8 13.259 7.875 -26.186 1.00 0.00 O ATOM 0 H GLU A 8 11.545 7.136 -23.731 1.00 0.00 H new ATOM 0 HA GLU A 8 9.721 9.207 -22.751 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.449 10.500 -24.521 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.873 9.636 -23.979 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.258 8.950 -26.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.741 9.884 -26.445 1.00 0.00 H new ATOM 108 N SER A 9 8.893 7.102 -25.123 1.00 0.00 N ATOM 109 CA SER A 9 7.915 6.494 -26.011 1.00 0.00 C ATOM 110 C SER A 9 6.700 6.017 -25.224 1.00 0.00 C ATOM 111 O SER A 9 5.575 6.354 -25.587 1.00 0.00 O ATOM 112 CB SER A 9 8.575 5.331 -26.767 1.00 0.00 C ATOM 113 OG SER A 9 9.723 5.745 -27.493 1.00 0.00 O ATOM 0 H SER A 9 9.785 6.610 -25.167 1.00 0.00 H new ATOM 0 HA SER A 9 7.569 7.234 -26.732 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.857 4.553 -26.058 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.853 4.890 -27.454 1.00 0.00 H new ATOM 0 HG SER A 9 10.135 6.513 -27.044 1.00 0.00 H new ATOM 119 N ILE A 10 6.927 5.291 -24.120 1.00 0.00 N ATOM 120 CA ILE A 10 5.902 4.816 -23.190 1.00 0.00 C ATOM 121 C ILE A 10 5.029 5.968 -22.696 1.00 0.00 C ATOM 122 O ILE A 10 3.817 5.886 -22.843 1.00 0.00 O ATOM 123 CB ILE A 10 6.537 3.987 -22.045 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.503 3.176 -21.227 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.469 4.792 -21.128 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.734 3.918 -20.127 1.00 0.00 C ATOM 0 H ILE A 10 7.867 5.010 -23.843 1.00 0.00 H new ATOM 0 HA ILE A 10 5.232 4.140 -23.721 1.00 0.00 H new ATOM 0 HB ILE A 10 7.170 3.268 -22.565 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.776 2.758 -21.923 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.022 2.336 -20.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.871 4.138 -20.354 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.289 5.206 -21.715 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.910 5.604 -20.663 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.046 3.230 -19.637 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.438 4.312 -19.393 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.171 4.741 -20.568 1.00 0.00 H new ATOM 138 N ASN A 11 5.614 7.043 -22.151 1.00 0.00 N ATOM 139 CA ASN A 11 4.866 8.148 -21.555 1.00 0.00 C ATOM 140 C ASN A 11 3.899 8.774 -22.570 1.00 0.00 C ATOM 141 O ASN A 11 2.702 8.894 -22.292 1.00 0.00 O ATOM 142 CB ASN A 11 5.861 9.162 -20.962 1.00 0.00 C ATOM 143 CG ASN A 11 5.157 10.294 -20.228 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.796 10.185 -19.067 1.00 0.00 O ATOM 145 ND2 ASN A 11 4.936 11.416 -20.886 1.00 0.00 N ATOM 0 H ASN A 11 6.626 7.167 -22.113 1.00 0.00 H new ATOM 0 HA ASN A 11 4.239 7.780 -20.743 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.534 8.649 -20.275 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.476 9.576 -21.761 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.463 12.193 -20.425 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.238 11.506 -21.856 1.00 0.00 H new ATOM 152 N GLN A 12 4.403 9.129 -23.760 1.00 0.00 N ATOM 153 CA GLN A 12 3.558 9.690 -24.812 1.00 0.00 C ATOM 154 C GLN A 12 2.550 8.667 -25.361 1.00 0.00 C ATOM 155 O GLN A 12 1.369 9.009 -25.483 1.00 0.00 O ATOM 156 CB GLN A 12 4.416 10.298 -25.931 1.00 0.00 C ATOM 157 CG GLN A 12 3.573 10.928 -27.057 1.00 0.00 C ATOM 158 CD GLN A 12 2.652 12.054 -26.586 1.00 0.00 C ATOM 159 OE1 GLN A 12 2.988 13.223 -26.628 1.00 0.00 O ATOM 160 NE2 GLN A 12 1.456 11.737 -26.125 1.00 0.00 N ATOM 0 H GLN A 12 5.387 9.037 -24.013 1.00 0.00 H new ATOM 0 HA GLN A 12 2.969 10.490 -24.364 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.072 11.058 -25.507 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.056 9.523 -26.353 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.242 11.317 -27.825 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.970 10.150 -27.524 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.167 10.760 -26.087 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.821 12.470 -25.807 1.00 0.00 H new ATOM 169 N LYS A 13 2.982 7.442 -25.704 1.00 0.00 N ATOM 170 CA LYS A 13 2.106 6.395 -26.254 1.00 0.00 C ATOM 171 C LYS A 13 0.999 6.014 -25.268 1.00 0.00 C ATOM 172 O LYS A 13 -0.136 5.810 -25.688 1.00 0.00 O ATOM 173 CB LYS A 13 2.949 5.173 -26.673 1.00 0.00 C ATOM 174 CG LYS A 13 2.151 4.007 -27.286 1.00 0.00 C ATOM 175 CD LYS A 13 1.406 4.318 -28.592 1.00 0.00 C ATOM 176 CE LYS A 13 2.327 4.577 -29.792 1.00 0.00 C ATOM 177 NZ LYS A 13 2.979 3.334 -30.271 1.00 0.00 N ATOM 0 H LYS A 13 3.954 7.149 -25.607 1.00 0.00 H new ATOM 0 HA LYS A 13 1.609 6.787 -27.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.699 5.499 -27.394 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.486 4.805 -25.799 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.837 3.180 -27.470 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.425 3.662 -26.550 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.745 3.484 -28.828 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.773 5.192 -28.438 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.749 5.019 -30.604 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.091 5.303 -29.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.849 3.575 -30.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.216 2.730 -29.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.331 2.824 -30.904 1.00 0.00 H new ATOM 191 N LEU A 14 1.303 5.951 -23.970 1.00 0.00 N ATOM 192 CA LEU A 14 0.335 5.639 -22.925 1.00 0.00 C ATOM 193 C LEU A 14 -0.683 6.769 -22.755 1.00 0.00 C ATOM 194 O LEU A 14 -1.874 6.480 -22.695 1.00 0.00 O ATOM 195 CB LEU A 14 1.068 5.284 -21.627 1.00 0.00 C ATOM 196 CG LEU A 14 0.128 4.605 -20.616 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.891 3.535 -19.839 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.465 5.609 -19.633 1.00 0.00 C ATOM 0 H LEU A 14 2.244 6.118 -23.613 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.244 4.764 -23.218 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.904 4.621 -21.850 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.487 6.188 -21.185 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.690 4.153 -21.178 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.221 3.057 -19.124 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.276 2.787 -20.532 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.722 3.996 -19.305 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.123 5.090 -18.936 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.339 6.095 -19.080 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.035 6.360 -20.180 1.00 0.00 H new ATOM 210 N ALA A 15 -0.258 8.039 -22.727 1.00 0.00 N ATOM 211 CA ALA A 15 -1.206 9.159 -22.734 1.00 0.00 C ATOM 212 C ALA A 15 -2.078 9.171 -24.004 1.00 0.00 C ATOM 213 O ALA A 15 -3.292 9.357 -23.919 1.00 0.00 O ATOM 214 CB ALA A 15 -0.454 10.478 -22.572 1.00 0.00 C ATOM 0 H ALA A 15 0.724 8.314 -22.700 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.883 9.031 -21.890 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.164 11.305 -22.578 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.089 10.473 -21.627 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.250 10.599 -23.395 1.00 0.00 H new ATOM 220 N LEU A 16 -1.465 8.921 -25.171 1.00 0.00 N ATOM 221 CA LEU A 16 -2.151 8.759 -26.452 1.00 0.00 C ATOM 222 C LEU A 16 -3.188 7.627 -26.379 1.00 0.00 C ATOM 223 O LEU A 16 -4.305 7.824 -26.836 1.00 0.00 O ATOM 224 CB LEU A 16 -1.090 8.580 -27.553 1.00 0.00 C ATOM 225 CG LEU A 16 -1.590 8.593 -29.012 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.383 8.782 -29.938 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.256 7.282 -29.435 1.00 0.00 C ATOM 0 H LEU A 16 -0.452 8.824 -25.247 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.730 9.648 -26.702 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.348 9.371 -27.441 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.576 7.635 -27.379 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.323 9.397 -29.083 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.718 8.794 -30.975 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.110 9.726 -29.705 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.319 7.961 -29.793 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.585 7.359 -30.471 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.542 6.464 -29.340 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.117 7.088 -28.795 1.00 0.00 H new ATOM 239 N VAL A 17 -2.863 6.483 -25.763 1.00 0.00 N ATOM 240 CA VAL A 17 -3.819 5.411 -25.445 1.00 0.00 C ATOM 241 C VAL A 17 -4.932 5.875 -24.502 1.00 0.00 C ATOM 242 O VAL A 17 -6.104 5.714 -24.833 1.00 0.00 O ATOM 243 CB VAL A 17 -3.071 4.165 -24.922 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.922 3.201 -24.085 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.512 3.400 -26.125 1.00 0.00 C ATOM 0 H VAL A 17 -1.911 6.271 -25.466 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.327 5.130 -26.367 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.293 4.536 -24.254 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.309 2.359 -23.764 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.308 3.723 -23.210 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.755 2.835 -24.686 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.979 2.515 -25.778 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.332 3.098 -26.777 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.827 4.042 -26.678 1.00 0.00 H new ATOM 255 N ILE A 18 -4.588 6.457 -23.345 1.00 0.00 N ATOM 256 CA ILE A 18 -5.512 6.950 -22.306 1.00 0.00 C ATOM 257 C ILE A 18 -6.563 7.953 -22.836 1.00 0.00 C ATOM 258 O ILE A 18 -7.632 8.080 -22.241 1.00 0.00 O ATOM 259 CB ILE A 18 -4.684 7.434 -21.086 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.236 6.189 -20.273 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.480 8.400 -20.208 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.663 6.461 -18.874 1.00 0.00 C ATOM 0 H ILE A 18 -3.611 6.606 -23.093 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.142 6.129 -21.964 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.812 7.983 -21.441 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.092 5.522 -20.169 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.484 5.654 -20.853 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.866 8.716 -19.365 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.767 9.273 -20.795 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.376 7.901 -19.838 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.386 5.517 -18.405 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.782 7.097 -18.959 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.414 6.963 -18.264 1.00 0.00 H new ATOM 274 N LYS A 19 -6.334 8.569 -24.003 1.00 0.00 N ATOM 275 CA LYS A 19 -7.335 9.315 -24.784 1.00 0.00 C ATOM 276 C LYS A 19 -8.656 8.552 -24.982 1.00 0.00 C ATOM 277 O LYS A 19 -9.707 9.189 -24.977 1.00 0.00 O ATOM 278 CB LYS A 19 -6.697 9.646 -26.136 1.00 0.00 C ATOM 279 CG LYS A 19 -7.562 10.442 -27.122 1.00 0.00 C ATOM 280 CD LYS A 19 -6.754 10.888 -28.356 1.00 0.00 C ATOM 281 CE LYS A 19 -5.879 9.792 -28.993 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.664 8.626 -29.452 1.00 0.00 N ATOM 0 H LYS A 19 -5.416 8.563 -24.447 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.607 10.215 -24.233 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.782 10.209 -25.953 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.406 8.711 -26.615 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.406 9.831 -27.441 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.974 11.318 -26.620 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.447 11.262 -29.110 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.114 11.722 -28.070 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.335 10.213 -29.838 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.135 9.461 -28.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.018 7.879 -29.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.242 8.265 -28.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.285 8.912 -30.235 1.00 0.00 H new ATOM 296 N SER A 20 -8.622 7.222 -25.160 1.00 0.00 N ATOM 297 CA SER A 20 -9.846 6.403 -25.242 1.00 0.00 C ATOM 298 C SER A 20 -9.729 4.936 -24.785 1.00 0.00 C ATOM 299 O SER A 20 -10.756 4.293 -24.575 1.00 0.00 O ATOM 300 CB SER A 20 -10.434 6.471 -26.658 1.00 0.00 C ATOM 301 OG SER A 20 -9.676 5.735 -27.594 1.00 0.00 O ATOM 0 H SER A 20 -7.758 6.688 -25.250 1.00 0.00 H new ATOM 0 HA SER A 20 -10.516 6.855 -24.511 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.455 6.090 -26.643 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.487 7.512 -26.976 1.00 0.00 H new ATOM 0 HG SER A 20 -8.725 5.792 -27.362 1.00 0.00 H new ATOM 307 N GLY A 21 -8.518 4.401 -24.575 1.00 0.00 N ATOM 308 CA GLY A 21 -8.300 3.047 -24.067 1.00 0.00 C ATOM 309 C GLY A 21 -8.482 2.956 -22.547 1.00 0.00 C ATOM 310 O GLY A 21 -8.265 3.926 -21.820 1.00 0.00 O ATOM 0 H GLY A 21 -7.652 4.908 -24.757 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.994 2.363 -24.555 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.294 2.721 -24.330 1.00 0.00 H new ATOM 314 N LYS A 22 -8.863 1.772 -22.056 1.00 0.00 N ATOM 315 CA LYS A 22 -9.268 1.538 -20.662 1.00 0.00 C ATOM 316 C LYS A 22 -8.064 1.263 -19.757 1.00 0.00 C ATOM 317 O LYS A 22 -7.377 0.250 -19.921 1.00 0.00 O ATOM 318 CB LYS A 22 -10.293 0.394 -20.593 1.00 0.00 C ATOM 319 CG LYS A 22 -11.645 0.812 -21.202 1.00 0.00 C ATOM 320 CD LYS A 22 -12.670 -0.322 -21.374 1.00 0.00 C ATOM 321 CE LYS A 22 -13.289 -0.872 -20.080 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.347 -1.721 -19.315 1.00 0.00 N ATOM 0 H LYS A 22 -8.900 0.929 -22.629 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.739 2.448 -20.290 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.906 -0.475 -21.125 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.437 0.095 -19.555 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.085 1.584 -20.571 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.461 1.264 -22.177 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.475 0.037 -22.015 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.187 -1.145 -21.901 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.613 -0.040 -19.454 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.179 -1.452 -20.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.849 -2.557 -18.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.570 -2.025 -19.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.960 -1.178 -18.517 1.00 0.00 H new ATOM 336 N TYR A 23 -7.841 2.157 -18.786 1.00 0.00 N ATOM 337 CA TYR A 23 -6.731 2.139 -17.831 1.00 0.00 C ATOM 338 C TYR A 23 -7.182 2.137 -16.355 1.00 0.00 C ATOM 339 O TYR A 23 -8.368 2.261 -16.053 1.00 0.00 O ATOM 340 CB TYR A 23 -5.861 3.368 -18.136 1.00 0.00 C ATOM 341 CG TYR A 23 -6.539 4.687 -17.815 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.412 5.294 -18.741 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.316 5.293 -16.568 1.00 0.00 C ATOM 344 CE1 TYR A 23 -8.078 6.489 -18.411 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.971 6.493 -16.234 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.855 7.094 -17.157 1.00 0.00 C ATOM 347 OH TYR A 23 -8.487 8.259 -16.847 1.00 0.00 O ATOM 0 H TYR A 23 -8.463 2.952 -18.639 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.176 1.209 -17.952 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.934 3.297 -17.566 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.588 3.357 -19.191 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.570 4.840 -19.708 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.639 4.836 -15.862 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.759 6.942 -19.117 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.798 6.954 -15.273 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.226 8.543 -15.946 1.00 0.00 H new ATOM 357 N THR A 24 -6.217 2.020 -15.431 1.00 0.00 N ATOM 358 CA THR A 24 -6.377 2.120 -13.968 1.00 0.00 C ATOM 359 C THR A 24 -5.126 2.757 -13.328 1.00 0.00 C ATOM 360 O THR A 24 -4.028 2.595 -13.867 1.00 0.00 O ATOM 361 CB THR A 24 -6.688 0.718 -13.406 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.999 0.762 -12.038 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.557 -0.291 -13.600 1.00 0.00 C ATOM 0 H THR A 24 -5.248 1.843 -15.697 1.00 0.00 H new ATOM 0 HA THR A 24 -7.212 2.776 -13.721 1.00 0.00 H new ATOM 0 HB THR A 24 -7.549 0.383 -13.984 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.471 -0.058 -11.783 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.851 -1.252 -13.179 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.353 -0.408 -14.664 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.660 0.067 -13.095 1.00 0.00 H new ATOM 371 N LEU A 25 -5.279 3.495 -12.211 1.00 0.00 N ATOM 372 CA LEU A 25 -4.246 4.368 -11.609 1.00 0.00 C ATOM 373 C LEU A 25 -4.158 4.250 -10.081 1.00 0.00 C ATOM 374 O LEU A 25 -5.163 4.423 -9.389 1.00 0.00 O ATOM 375 CB LEU A 25 -4.539 5.854 -11.915 1.00 0.00 C ATOM 376 CG LEU A 25 -4.540 6.266 -13.391 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.830 7.763 -13.521 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.195 5.999 -14.052 1.00 0.00 C ATOM 0 H LEU A 25 -6.152 3.502 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.307 4.034 -12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.512 6.103 -11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.799 6.461 -11.393 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.311 5.673 -13.884 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.828 8.044 -14.574 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.806 7.983 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.063 8.329 -12.993 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.236 6.304 -15.098 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.418 6.566 -13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.966 4.935 -13.994 1.00 0.00 H new ATOM 390 N GLY A 26 -2.946 4.047 -9.553 1.00 0.00 N ATOM 391 CA GLY A 26 -2.681 3.971 -8.110 1.00 0.00 C ATOM 392 C GLY A 26 -2.706 2.529 -7.592 1.00 0.00 C ATOM 393 O GLY A 26 -3.420 1.686 -8.130 1.00 0.00 O ATOM 0 H GLY A 26 -2.109 3.929 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.709 4.415 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.425 4.561 -7.574 1.00 0.00 H new ATOM 397 N TYR A 27 -1.927 2.241 -6.539 1.00 0.00 N ATOM 398 CA TYR A 27 -1.594 0.868 -6.126 1.00 0.00 C ATOM 399 C TYR A 27 -2.833 0.002 -5.863 1.00 0.00 C ATOM 400 O TYR A 27 -3.018 -1.025 -6.516 1.00 0.00 O ATOM 401 CB TYR A 27 -0.648 0.890 -4.916 1.00 0.00 C ATOM 402 CG TYR A 27 -0.043 -0.470 -4.616 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.154 -0.850 -5.252 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.687 -1.372 -3.737 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.686 -2.125 -5.036 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.138 -2.650 -3.504 1.00 0.00 C ATOM 407 CZ TYR A 27 1.046 -3.028 -4.170 1.00 0.00 C ATOM 408 OH TYR A 27 1.650 -4.222 -3.958 1.00 0.00 O ATOM 0 H TYR A 27 -1.508 2.957 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.079 0.396 -6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.153 1.606 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.194 1.241 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.661 -0.157 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.602 -1.081 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.596 -2.418 -5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.620 -3.334 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 27 1.069 -4.790 -3.410 1.00 0.00 H new ATOM 418 N LYS A 28 -3.707 0.430 -4.938 1.00 0.00 N ATOM 419 CA LYS A 28 -4.964 -0.258 -4.613 1.00 0.00 C ATOM 420 C LYS A 28 -5.834 -0.469 -5.860 1.00 0.00 C ATOM 421 O LYS A 28 -6.366 -1.561 -6.053 1.00 0.00 O ATOM 422 CB LYS A 28 -5.703 0.525 -3.513 1.00 0.00 C ATOM 423 CG LYS A 28 -6.947 -0.217 -2.996 1.00 0.00 C ATOM 424 CD LYS A 28 -7.707 0.562 -1.910 1.00 0.00 C ATOM 425 CE LYS A 28 -6.911 0.672 -0.603 1.00 0.00 C ATOM 426 NZ LYS A 28 -7.682 1.375 0.450 1.00 0.00 N ATOM 0 H LYS A 28 -3.557 1.276 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.737 -1.255 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.022 0.708 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.000 1.499 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.619 -0.413 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.645 -1.185 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.936 1.562 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.659 0.069 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.644 -0.326 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.978 1.205 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.113 1.431 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.915 2.336 0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.560 0.853 0.645 1.00 0.00 H new ATOM 440 N SER A 29 -5.934 0.555 -6.715 1.00 0.00 N ATOM 441 CA SER A 29 -6.662 0.536 -7.981 1.00 0.00 C ATOM 442 C SER A 29 -6.151 -0.564 -8.901 1.00 0.00 C ATOM 443 O SER A 29 -6.947 -1.414 -9.308 1.00 0.00 O ATOM 444 CB SER A 29 -6.523 1.864 -8.725 1.00 0.00 C ATOM 445 OG SER A 29 -6.547 2.973 -7.852 1.00 0.00 O ATOM 0 H SER A 29 -5.490 1.455 -6.533 1.00 0.00 H new ATOM 0 HA SER A 29 -7.707 0.356 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.589 1.867 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.331 1.958 -9.450 1.00 0.00 H new ATOM 0 HG SER A 29 -5.883 3.632 -8.142 1.00 0.00 H new ATOM 451 N THR A 30 -4.849 -0.560 -9.237 1.00 0.00 N ATOM 452 CA THR A 30 -4.270 -1.621 -10.066 1.00 0.00 C ATOM 453 C THR A 30 -4.434 -2.980 -9.386 1.00 0.00 C ATOM 454 O THR A 30 -5.059 -3.839 -9.992 1.00 0.00 O ATOM 455 CB THR A 30 -2.854 -1.314 -10.582 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.413 -2.405 -11.350 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.807 -1.049 -9.508 1.00 0.00 C ATOM 0 H THR A 30 -4.187 0.160 -8.949 1.00 0.00 H new ATOM 0 HA THR A 30 -4.844 -1.668 -10.992 1.00 0.00 H new ATOM 0 HB THR A 30 -2.947 -0.389 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.933 -2.077 -12.139 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.846 -0.844 -9.980 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.109 -0.189 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.716 -1.924 -8.865 1.00 0.00 H new ATOM 465 N VAL A 31 -4.053 -3.176 -8.112 1.00 0.00 N ATOM 466 CA VAL A 31 -4.257 -4.462 -7.413 1.00 0.00 C ATOM 467 C VAL A 31 -5.698 -4.983 -7.545 1.00 0.00 C ATOM 468 O VAL A 31 -5.894 -6.116 -7.985 1.00 0.00 O ATOM 469 CB VAL A 31 -3.809 -4.393 -5.938 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.173 -5.682 -5.189 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.288 -4.218 -5.855 1.00 0.00 C ATOM 0 H VAL A 31 -3.601 -2.461 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.616 -5.188 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.320 -3.545 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.845 -5.605 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.253 -5.827 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.680 -6.530 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.984 -4.171 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.798 -5.063 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.000 -3.295 -6.359 1.00 0.00 H new ATOM 481 N LYS A 32 -6.708 -4.157 -7.234 1.00 0.00 N ATOM 482 CA LYS A 32 -8.125 -4.491 -7.443 1.00 0.00 C ATOM 483 C LYS A 32 -8.412 -4.859 -8.907 1.00 0.00 C ATOM 484 O LYS A 32 -9.003 -5.900 -9.181 1.00 0.00 O ATOM 485 CB LYS A 32 -8.986 -3.310 -6.964 1.00 0.00 C ATOM 486 CG LYS A 32 -10.490 -3.621 -6.977 1.00 0.00 C ATOM 487 CD LYS A 32 -11.303 -2.364 -6.626 1.00 0.00 C ATOM 488 CE LYS A 32 -12.804 -2.637 -6.453 1.00 0.00 C ATOM 489 NZ LYS A 32 -13.415 -3.234 -7.665 1.00 0.00 N ATOM 0 H LYS A 32 -6.564 -3.233 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.379 -5.375 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.686 -3.035 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.794 -2.446 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.783 -3.988 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.709 -4.414 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.911 -1.932 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.165 -1.620 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.953 -3.308 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.315 -1.704 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.449 -3.136 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.060 -2.744 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.165 -4.242 -7.719 1.00 0.00 H new ATOM 503 N SER A 33 -7.977 -4.009 -9.840 1.00 0.00 N ATOM 504 CA SER A 33 -8.195 -4.144 -11.287 1.00 0.00 C ATOM 505 C SER A 33 -7.593 -5.436 -11.850 1.00 0.00 C ATOM 506 O SER A 33 -8.273 -6.154 -12.575 1.00 0.00 O ATOM 507 CB SER A 33 -7.602 -2.951 -12.050 1.00 0.00 C ATOM 508 OG SER A 33 -8.032 -1.701 -11.537 1.00 0.00 O ATOM 0 H SER A 33 -7.442 -3.174 -9.601 1.00 0.00 H new ATOM 0 HA SER A 33 -9.276 -4.174 -11.427 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.514 -3.002 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.882 -3.023 -13.101 1.00 0.00 H new ATOM 0 HG SER A 33 -7.889 -1.679 -10.568 1.00 0.00 H new ATOM 514 N LEU A 34 -6.332 -5.744 -11.520 1.00 0.00 N ATOM 515 CA LEU A 34 -5.620 -6.940 -11.976 1.00 0.00 C ATOM 516 C LEU A 34 -6.218 -8.224 -11.379 1.00 0.00 C ATOM 517 O LEU A 34 -6.240 -9.253 -12.049 1.00 0.00 O ATOM 518 CB LEU A 34 -4.128 -6.852 -11.605 1.00 0.00 C ATOM 519 CG LEU A 34 -3.351 -5.608 -12.079 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.932 -5.646 -11.517 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.307 -5.448 -13.589 1.00 0.00 C ATOM 0 H LEU A 34 -5.766 -5.151 -10.913 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.728 -6.984 -13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.047 -6.906 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.629 -7.734 -12.006 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.893 -4.742 -11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.384 -4.766 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.972 -5.655 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.425 -6.545 -11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.743 -4.551 -13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.824 -6.318 -14.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.322 -5.360 -13.975 1.00 0.00 H new ATOM 533 N ARG A 35 -6.704 -8.169 -10.130 1.00 0.00 N ATOM 534 CA ARG A 35 -7.373 -9.300 -9.470 1.00 0.00 C ATOM 535 C ARG A 35 -8.795 -9.541 -9.993 1.00 0.00 C ATOM 536 O ARG A 35 -9.212 -10.693 -10.038 1.00 0.00 O ATOM 537 CB ARG A 35 -7.383 -9.088 -7.946 1.00 0.00 C ATOM 538 CG ARG A 35 -5.974 -9.219 -7.335 1.00 0.00 C ATOM 539 CD ARG A 35 -5.946 -8.809 -5.856 1.00 0.00 C ATOM 540 NE ARG A 35 -6.590 -9.815 -4.991 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.096 -10.413 -3.910 1.00 0.00 C ATOM 542 NH1 ARG A 35 -4.889 -10.195 -3.438 1.00 0.00 N ATOM 543 NH2 ARG A 35 -6.838 -11.280 -3.260 1.00 0.00 N ATOM 0 H ARG A 35 -6.644 -7.335 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.801 -10.196 -9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.786 -8.101 -7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.048 -9.817 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.632 -10.249 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.277 -8.597 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.913 -8.666 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.451 -7.851 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.537 -10.088 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.270 -9.533 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.571 -10.688 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.782 -11.488 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.470 -11.745 -2.430 1.00 0.00 H new ATOM 557 N GLN A 36 -9.547 -8.486 -10.342 1.00 0.00 N ATOM 558 CA GLN A 36 -10.966 -8.587 -10.720 1.00 0.00 C ATOM 559 C GLN A 36 -11.284 -8.423 -12.219 1.00 0.00 C ATOM 560 O GLN A 36 -12.411 -8.722 -12.609 1.00 0.00 O ATOM 561 CB GLN A 36 -11.802 -7.601 -9.885 1.00 0.00 C ATOM 562 CG GLN A 36 -11.721 -7.886 -8.378 1.00 0.00 C ATOM 563 CD GLN A 36 -12.767 -7.093 -7.602 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.815 -5.869 -7.639 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.643 -7.755 -6.871 1.00 0.00 N ATOM 0 H GLN A 36 -9.186 -7.533 -10.370 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.237 -9.620 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.458 -6.585 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.843 -7.651 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.865 -8.952 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.726 -7.633 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.610 -8.774 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.353 -7.248 -6.342 1.00 0.00 H new ATOM 574 N GLY A 37 -10.355 -7.945 -13.059 1.00 0.00 N ATOM 575 CA GLY A 37 -10.640 -7.561 -14.445 1.00 0.00 C ATOM 576 C GLY A 37 -9.556 -7.942 -15.460 1.00 0.00 C ATOM 577 O GLY A 37 -8.482 -8.435 -15.120 1.00 0.00 O ATOM 0 H GLY A 37 -9.379 -7.814 -12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.579 -8.024 -14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.789 -6.482 -14.484 1.00 0.00 H new ATOM 581 N LYS A 38 -9.867 -7.705 -16.743 1.00 0.00 N ATOM 582 CA LYS A 38 -9.051 -8.089 -17.904 1.00 0.00 C ATOM 583 C LYS A 38 -7.821 -7.178 -18.058 1.00 0.00 C ATOM 584 O LYS A 38 -7.734 -6.358 -18.969 1.00 0.00 O ATOM 585 CB LYS A 38 -9.956 -8.150 -19.159 1.00 0.00 C ATOM 586 CG LYS A 38 -9.573 -9.228 -20.192 1.00 0.00 C ATOM 587 CD LYS A 38 -8.195 -9.137 -20.874 1.00 0.00 C ATOM 588 CE LYS A 38 -8.090 -8.138 -22.038 1.00 0.00 C ATOM 589 NZ LYS A 38 -8.168 -6.738 -21.584 1.00 0.00 N ATOM 0 H LYS A 38 -10.725 -7.223 -17.010 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.635 -9.086 -17.756 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.983 -8.325 -18.839 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.937 -7.177 -19.649 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.635 -10.197 -19.697 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.331 -9.221 -20.975 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.455 -8.868 -20.121 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.928 -10.127 -21.244 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.148 -8.295 -22.564 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.890 -8.331 -22.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.431 -6.178 -22.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.103 -6.349 -21.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.025 -6.698 -20.555 1.00 0.00 H new ATOM 603 N SER A 39 -6.833 -7.340 -17.188 1.00 0.00 N ATOM 604 CA SER A 39 -5.494 -6.755 -17.320 1.00 0.00 C ATOM 605 C SER A 39 -4.808 -7.138 -18.646 1.00 0.00 C ATOM 606 O SER A 39 -5.071 -8.208 -19.211 1.00 0.00 O ATOM 607 CB SER A 39 -4.657 -7.259 -16.142 1.00 0.00 C ATOM 608 OG SER A 39 -4.696 -8.667 -16.131 1.00 0.00 O ATOM 0 H SER A 39 -6.939 -7.899 -16.342 1.00 0.00 H new ATOM 0 HA SER A 39 -5.582 -5.669 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.628 -6.910 -16.232 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.047 -6.863 -15.204 1.00 0.00 H new ATOM 0 HG SER A 39 -3.980 -9.010 -15.556 1.00 0.00 H new ATOM 614 N LYS A 40 -3.895 -6.291 -19.154 1.00 0.00 N ATOM 615 CA LYS A 40 -2.988 -6.700 -20.236 1.00 0.00 C ATOM 616 C LYS A 40 -1.561 -6.149 -20.156 1.00 0.00 C ATOM 617 O LYS A 40 -0.623 -6.866 -20.520 1.00 0.00 O ATOM 618 CB LYS A 40 -3.664 -6.403 -21.581 1.00 0.00 C ATOM 619 CG LYS A 40 -3.178 -7.287 -22.744 1.00 0.00 C ATOM 620 CD LYS A 40 -3.702 -8.737 -22.714 1.00 0.00 C ATOM 621 CE LYS A 40 -2.912 -9.663 -21.781 1.00 0.00 C ATOM 622 NZ LYS A 40 -3.705 -10.137 -20.620 1.00 0.00 N ATOM 0 H LYS A 40 -3.768 -5.330 -18.836 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.826 -7.772 -20.122 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.741 -6.530 -21.469 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.492 -5.358 -21.838 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.480 -6.825 -23.684 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.088 -7.309 -22.735 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.747 -8.729 -22.403 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.673 -9.145 -23.725 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.559 -10.525 -22.348 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.029 -9.136 -21.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.086 -10.659 -19.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.119 -9.321 -20.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.466 -10.764 -20.952 1.00 0.00 H new ATOM 636 N LEU A 41 -1.379 -4.933 -19.627 1.00 0.00 N ATOM 637 CA LEU A 41 -0.074 -4.291 -19.434 1.00 0.00 C ATOM 638 C LEU A 41 -0.073 -3.509 -18.110 1.00 0.00 C ATOM 639 O LEU A 41 -0.995 -2.732 -17.872 1.00 0.00 O ATOM 640 CB LEU A 41 0.181 -3.430 -20.693 1.00 0.00 C ATOM 641 CG LEU A 41 1.344 -2.421 -20.726 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.049 -1.153 -19.925 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.694 -3.013 -20.312 1.00 0.00 C ATOM 0 H LEU A 41 -2.157 -4.353 -19.313 1.00 0.00 H new ATOM 0 HA LEU A 41 0.746 -5.002 -19.338 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.326 -4.116 -21.528 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.734 -2.873 -20.893 1.00 0.00 H new ATOM 0 HG LEU A 41 1.430 -2.147 -21.778 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.903 -0.478 -19.984 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.168 -0.660 -20.336 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.865 -1.415 -18.883 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.461 -2.240 -20.361 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.627 -3.393 -19.293 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.956 -3.828 -20.987 1.00 0.00 H new ATOM 655 N ILE A 42 0.953 -3.686 -17.262 1.00 0.00 N ATOM 656 CA ILE A 42 1.167 -2.871 -16.052 1.00 0.00 C ATOM 657 C ILE A 42 2.428 -2.004 -16.164 1.00 0.00 C ATOM 658 O ILE A 42 3.430 -2.429 -16.742 1.00 0.00 O ATOM 659 CB ILE A 42 1.160 -3.713 -14.752 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.410 -4.587 -14.509 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.078 -4.615 -14.705 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.522 -5.046 -13.049 1.00 0.00 C ATOM 0 H ILE A 42 1.664 -4.405 -17.397 1.00 0.00 H new ATOM 0 HA ILE A 42 0.314 -2.196 -15.983 1.00 0.00 H new ATOM 0 HB ILE A 42 1.153 -2.967 -13.957 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.373 -5.460 -15.161 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.303 -4.024 -14.781 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.067 -5.200 -13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.978 -4.000 -14.734 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.071 -5.288 -15.563 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.416 -5.657 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.587 -4.174 -12.398 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.643 -5.633 -12.784 1.00 0.00 H new ATOM 674 N ILE A 43 2.394 -0.814 -15.553 1.00 0.00 N ATOM 675 CA ILE A 43 3.541 0.085 -15.410 1.00 0.00 C ATOM 676 C ILE A 43 3.779 0.378 -13.933 1.00 0.00 C ATOM 677 O ILE A 43 2.895 0.908 -13.256 1.00 0.00 O ATOM 678 CB ILE A 43 3.346 1.439 -16.134 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.821 1.398 -17.582 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.654 2.251 -16.031 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.724 0.725 -18.614 1.00 0.00 C ATOM 0 H ILE A 43 1.543 -0.441 -15.133 1.00 0.00 H new ATOM 0 HA ILE A 43 4.390 -0.426 -15.865 1.00 0.00 H new ATOM 0 HB ILE A 43 2.525 1.926 -15.608 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.860 0.884 -17.582 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.635 2.422 -17.907 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.529 3.208 -16.538 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.893 2.425 -14.982 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.465 1.695 -16.501 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.246 0.759 -19.593 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.679 1.248 -18.658 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.892 -0.313 -18.328 1.00 0.00 H new ATOM 693 N ILE A 44 5.002 0.124 -13.460 1.00 0.00 N ATOM 694 CA ILE A 44 5.479 0.652 -12.185 1.00 0.00 C ATOM 695 C ILE A 44 6.411 1.840 -12.464 1.00 0.00 C ATOM 696 O ILE A 44 7.630 1.691 -12.578 1.00 0.00 O ATOM 697 CB ILE A 44 6.075 -0.474 -11.311 1.00 0.00 C ATOM 698 CG1 ILE A 44 5.035 -1.593 -11.040 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.528 0.082 -9.957 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.468 -2.949 -11.596 1.00 0.00 C ATOM 0 H ILE A 44 5.686 -0.452 -13.951 1.00 0.00 H new ATOM 0 HA ILE A 44 4.659 1.042 -11.582 1.00 0.00 H new ATOM 0 HB ILE A 44 6.922 -0.887 -11.860 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.873 -1.680 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.080 -1.311 -11.484 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.945 -0.724 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.287 0.848 -10.114 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.674 0.518 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.702 -3.693 -11.377 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.603 -2.874 -12.675 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.408 -3.249 -11.133 1.00 0.00 H new ATOM 712 N ALA A 45 5.814 3.037 -12.569 1.00 0.00 N ATOM 713 CA ALA A 45 6.510 4.321 -12.485 1.00 0.00 C ATOM 714 C ALA A 45 6.202 4.985 -11.135 1.00 0.00 C ATOM 715 O ALA A 45 5.665 6.090 -11.039 1.00 0.00 O ATOM 716 CB ALA A 45 6.167 5.211 -13.682 1.00 0.00 C ATOM 0 H ALA A 45 4.810 3.137 -12.718 1.00 0.00 H new ATOM 0 HA ALA A 45 7.587 4.158 -12.532 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.698 6.159 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.466 4.712 -14.604 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.093 5.397 -13.701 1.00 0.00 H new ATOM 722 N ALA A 46 6.521 4.264 -10.066 1.00 0.00 N ATOM 723 CA ALA A 46 6.436 4.710 -8.687 1.00 0.00 C ATOM 724 C ALA A 46 7.613 4.094 -7.932 1.00 0.00 C ATOM 725 O ALA A 46 7.918 2.927 -8.183 1.00 0.00 O ATOM 726 CB ALA A 46 5.090 4.262 -8.107 1.00 0.00 C ATOM 0 H ALA A 46 6.862 3.306 -10.145 1.00 0.00 H new ATOM 0 HA ALA A 46 6.490 5.795 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.013 4.591 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.279 4.701 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.019 3.175 -8.149 1.00 0.00 H new ATOM 732 N ASN A 47 8.256 4.841 -7.025 1.00 0.00 N ATOM 733 CA ASN A 47 9.406 4.415 -6.212 1.00 0.00 C ATOM 734 C ASN A 47 9.071 3.208 -5.304 1.00 0.00 C ATOM 735 O ASN A 47 8.817 3.340 -4.107 1.00 0.00 O ATOM 736 CB ASN A 47 9.944 5.629 -5.430 1.00 0.00 C ATOM 737 CG ASN A 47 10.505 6.731 -6.324 1.00 0.00 C ATOM 738 OD1 ASN A 47 10.864 6.516 -7.473 1.00 0.00 O ATOM 739 ND2 ASN A 47 10.626 7.936 -5.797 1.00 0.00 N ATOM 0 H ASN A 47 7.977 5.802 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 47 10.195 4.054 -6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.141 6.042 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.725 5.294 -4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.022 8.697 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.324 8.106 -4.838 1.00 0.00 H new ATOM 746 N THR A 48 9.031 2.024 -5.918 1.00 0.00 N ATOM 747 CA THR A 48 8.417 0.787 -5.426 1.00 0.00 C ATOM 748 C THR A 48 9.493 -0.213 -4.984 1.00 0.00 C ATOM 749 O THR A 48 10.329 -0.576 -5.818 1.00 0.00 O ATOM 750 CB THR A 48 7.544 0.190 -6.545 1.00 0.00 C ATOM 751 OG1 THR A 48 6.583 1.136 -6.943 1.00 0.00 O ATOM 752 CG2 THR A 48 6.762 -1.049 -6.137 1.00 0.00 C ATOM 0 H THR A 48 9.456 1.894 -6.836 1.00 0.00 H new ATOM 0 HA THR A 48 7.796 1.007 -4.557 1.00 0.00 H new ATOM 0 HB THR A 48 8.244 -0.083 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.929 1.656 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.175 -1.404 -6.984 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.455 -1.830 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.095 -0.803 -5.311 1.00 0.00 H new ATOM 760 N PRO A 49 9.504 -0.672 -3.715 1.00 0.00 N ATOM 761 CA PRO A 49 10.452 -1.679 -3.239 1.00 0.00 C ATOM 762 C PRO A 49 10.096 -3.100 -3.717 1.00 0.00 C ATOM 763 O PRO A 49 8.993 -3.364 -4.199 1.00 0.00 O ATOM 764 CB PRO A 49 10.413 -1.561 -1.710 1.00 0.00 C ATOM 765 CG PRO A 49 8.973 -1.135 -1.435 1.00 0.00 C ATOM 766 CD PRO A 49 8.646 -0.230 -2.623 1.00 0.00 C ATOM 0 HA PRO A 49 11.451 -1.506 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.653 -2.508 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.129 -0.825 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.302 -1.992 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.884 -0.604 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.594 -0.311 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.833 0.816 -2.379 1.00 0.00 H new ATOM 774 N VAL A 50 11.045 -4.032 -3.537 1.00 0.00 N ATOM 775 CA VAL A 50 11.022 -5.399 -4.086 1.00 0.00 C ATOM 776 C VAL A 50 9.732 -6.155 -3.756 1.00 0.00 C ATOM 777 O VAL A 50 9.091 -6.678 -4.662 1.00 0.00 O ATOM 778 CB VAL A 50 12.265 -6.201 -3.636 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.285 -7.608 -4.252 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.567 -5.495 -4.047 1.00 0.00 C ATOM 0 H VAL A 50 11.882 -3.848 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 50 11.050 -5.295 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 50 12.201 -6.271 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.173 -8.141 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.394 -8.154 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.302 -7.529 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.421 -6.085 -3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.597 -5.390 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.607 -4.508 -3.586 1.00 0.00 H new ATOM 790 N LEU A 51 9.319 -6.205 -2.482 1.00 0.00 N ATOM 791 CA LEU A 51 8.095 -6.907 -2.074 1.00 0.00 C ATOM 792 C LEU A 51 6.862 -6.361 -2.815 1.00 0.00 C ATOM 793 O LEU A 51 6.112 -7.119 -3.431 1.00 0.00 O ATOM 794 CB LEU A 51 7.916 -6.817 -0.547 1.00 0.00 C ATOM 795 CG LEU A 51 9.051 -7.457 0.279 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.788 -7.222 1.770 1.00 0.00 C ATOM 797 CD2 LEU A 51 9.178 -8.964 0.038 1.00 0.00 C ATOM 0 H LEU A 51 9.820 -5.764 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 51 8.194 -7.957 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.830 -5.767 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.975 -7.297 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 51 9.982 -6.987 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.589 -7.673 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.752 -6.151 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.836 -7.675 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.992 -9.362 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.245 -9.456 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.387 -9.148 -1.016 1.00 0.00 H new ATOM 809 N ARG A 52 6.700 -5.034 -2.801 1.00 0.00 N ATOM 810 CA ARG A 52 5.609 -4.277 -3.423 1.00 0.00 C ATOM 811 C ARG A 52 5.564 -4.495 -4.945 1.00 0.00 C ATOM 812 O ARG A 52 4.505 -4.846 -5.483 1.00 0.00 O ATOM 813 CB ARG A 52 5.786 -2.809 -2.989 1.00 0.00 C ATOM 814 CG ARG A 52 4.510 -1.963 -2.980 1.00 0.00 C ATOM 815 CD ARG A 52 3.659 -2.113 -1.705 1.00 0.00 C ATOM 816 NE ARG A 52 3.001 -3.429 -1.595 1.00 0.00 N ATOM 817 CZ ARG A 52 2.887 -4.226 -0.539 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.462 -3.947 0.608 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.182 -5.331 -0.606 1.00 0.00 N ATOM 0 H ARG A 52 7.366 -4.424 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 52 4.631 -4.624 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.217 -2.794 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.509 -2.337 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.782 -0.914 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.902 -2.235 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.294 -1.958 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.899 -1.332 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 52 2.572 -3.776 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.016 -3.096 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.354 -4.581 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.714 -5.586 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.102 -5.935 0.212 1.00 0.00 H new ATOM 833 N LYS A 53 6.717 -4.376 -5.634 1.00 0.00 N ATOM 834 CA LYS A 53 6.770 -4.673 -7.075 1.00 0.00 C ATOM 835 C LYS A 53 6.404 -6.138 -7.303 1.00 0.00 C ATOM 836 O LYS A 53 5.589 -6.412 -8.176 1.00 0.00 O ATOM 837 CB LYS A 53 8.100 -4.287 -7.767 1.00 0.00 C ATOM 838 CG LYS A 53 9.212 -5.352 -7.768 1.00 0.00 C ATOM 839 CD LYS A 53 10.471 -4.941 -8.540 1.00 0.00 C ATOM 840 CE LYS A 53 11.324 -6.159 -8.933 1.00 0.00 C ATOM 841 NZ LYS A 53 10.709 -6.967 -10.020 1.00 0.00 N ATOM 0 H LYS A 53 7.604 -4.083 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 53 6.033 -4.031 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.881 -4.022 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.488 -3.390 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.487 -5.575 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.818 -6.272 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.184 -4.393 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.066 -4.262 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.309 -5.819 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.473 -6.790 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.449 -7.280 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.237 -7.798 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.011 -6.389 -10.530 1.00 0.00 H new ATOM 855 N SER A 54 6.951 -7.057 -6.486 1.00 0.00 N ATOM 856 CA SER A 54 6.709 -8.494 -6.609 1.00 0.00 C ATOM 857 C SER A 54 5.227 -8.844 -6.499 1.00 0.00 C ATOM 858 O SER A 54 4.782 -9.728 -7.214 1.00 0.00 O ATOM 859 CB SER A 54 7.548 -9.316 -5.620 1.00 0.00 C ATOM 860 OG SER A 54 7.021 -9.339 -4.307 1.00 0.00 O ATOM 0 H SER A 54 7.577 -6.814 -5.718 1.00 0.00 H new ATOM 0 HA SER A 54 7.034 -8.768 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.628 -10.339 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.559 -8.909 -5.589 1.00 0.00 H new ATOM 0 HG SER A 54 6.560 -8.494 -4.125 1.00 0.00 H new ATOM 866 N GLU A 55 4.447 -8.127 -5.680 1.00 0.00 N ATOM 867 CA GLU A 55 2.997 -8.304 -5.611 1.00 0.00 C ATOM 868 C GLU A 55 2.312 -7.865 -6.920 1.00 0.00 C ATOM 869 O GLU A 55 1.516 -8.626 -7.469 1.00 0.00 O ATOM 870 CB GLU A 55 2.436 -7.519 -4.413 1.00 0.00 C ATOM 871 CG GLU A 55 1.103 -8.100 -3.915 1.00 0.00 C ATOM 872 CD GLU A 55 0.197 -7.089 -3.190 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.698 -6.035 -2.717 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.026 -7.361 -3.143 1.00 0.00 O ATOM 0 H GLU A 55 4.806 -7.410 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 55 2.786 -9.365 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.162 -7.531 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.293 -6.477 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.560 -8.510 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.312 -8.930 -3.240 1.00 0.00 H new ATOM 881 N LEU A 56 2.638 -6.675 -7.459 1.00 0.00 N ATOM 882 CA LEU A 56 2.090 -6.252 -8.769 1.00 0.00 C ATOM 883 C LEU A 56 2.450 -7.225 -9.895 1.00 0.00 C ATOM 884 O LEU A 56 1.613 -7.627 -10.704 1.00 0.00 O ATOM 885 CB LEU A 56 2.551 -4.836 -9.137 1.00 0.00 C ATOM 886 CG LEU A 56 2.014 -3.720 -8.226 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.766 -2.472 -9.064 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.682 -4.048 -7.553 1.00 0.00 C ATOM 0 H LEU A 56 3.264 -5.999 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 56 1.005 -6.255 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.640 -4.808 -9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.246 -4.626 -10.162 1.00 0.00 H new ATOM 0 HG LEU A 56 2.770 -3.586 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.385 -1.675 -8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.700 -2.152 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.035 -2.695 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.374 -3.209 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.075 -4.231 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.796 -4.938 -6.934 1.00 0.00 H new ATOM 900 N GLU A 57 3.718 -7.604 -9.898 1.00 0.00 N ATOM 901 CA GLU A 57 4.348 -8.579 -10.784 1.00 0.00 C ATOM 902 C GLU A 57 3.689 -9.967 -10.659 1.00 0.00 C ATOM 903 O GLU A 57 3.455 -10.620 -11.675 1.00 0.00 O ATOM 904 CB GLU A 57 5.843 -8.555 -10.442 1.00 0.00 C ATOM 905 CG GLU A 57 6.828 -9.191 -11.422 1.00 0.00 C ATOM 906 CD GLU A 57 8.205 -8.561 -11.166 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.829 -8.831 -10.114 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.604 -7.656 -11.941 1.00 0.00 O ATOM 0 H GLU A 57 4.385 -7.211 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 57 4.214 -8.328 -11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.135 -7.513 -10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.970 -9.048 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.868 -10.271 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.512 -9.017 -12.451 1.00 0.00 H new ATOM 915 N TYR A 58 3.292 -10.381 -9.447 1.00 0.00 N ATOM 916 CA TYR A 58 2.473 -11.568 -9.188 1.00 0.00 C ATOM 917 C TYR A 58 1.094 -11.458 -9.848 1.00 0.00 C ATOM 918 O TYR A 58 0.673 -12.397 -10.520 1.00 0.00 O ATOM 919 CB TYR A 58 2.339 -11.809 -7.674 1.00 0.00 C ATOM 920 CG TYR A 58 1.982 -13.224 -7.277 1.00 0.00 C ATOM 921 CD1 TYR A 58 3.011 -14.175 -7.148 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.653 -13.576 -6.971 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.714 -15.488 -6.738 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.352 -14.883 -6.541 1.00 0.00 C ATOM 925 CZ TYR A 58 1.382 -15.846 -6.436 1.00 0.00 C ATOM 926 OH TYR A 58 1.102 -17.113 -6.030 1.00 0.00 O ATOM 0 H TYR A 58 3.542 -9.881 -8.594 1.00 0.00 H new ATOM 0 HA TYR A 58 2.979 -12.425 -9.633 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.280 -11.541 -7.195 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.578 -11.135 -7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.032 -13.896 -7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.135 -12.844 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.503 -16.220 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.665 -15.149 -6.292 1.00 0.00 H new ATOM 0 HH TYR A 58 0.140 -17.197 -5.861 1.00 0.00 H new ATOM 936 N TYR A 59 0.385 -10.328 -9.708 1.00 0.00 N ATOM 937 CA TYR A 59 -0.907 -10.148 -10.385 1.00 0.00 C ATOM 938 C TYR A 59 -0.782 -10.081 -11.914 1.00 0.00 C ATOM 939 O TYR A 59 -1.658 -10.604 -12.607 1.00 0.00 O ATOM 940 CB TYR A 59 -1.666 -8.930 -9.851 1.00 0.00 C ATOM 941 CG TYR A 59 -1.890 -8.931 -8.356 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.533 -10.018 -7.730 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.447 -7.837 -7.590 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.719 -10.017 -6.336 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.630 -7.835 -6.199 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.272 -8.921 -5.566 1.00 0.00 C ATOM 947 OH TYR A 59 -2.520 -8.887 -4.227 1.00 0.00 O ATOM 0 H TYR A 59 0.680 -9.534 -9.139 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.487 -11.041 -10.153 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.116 -8.029 -10.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.634 -8.875 -10.350 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.883 -10.852 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.966 -6.999 -8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.203 -10.854 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.279 -7.000 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.187 -8.044 -3.854 1.00 0.00 H new ATOM 957 N ALA A 60 0.301 -9.502 -12.451 1.00 0.00 N ATOM 958 CA ALA A 60 0.648 -9.597 -13.870 1.00 0.00 C ATOM 959 C ALA A 60 0.901 -11.056 -14.311 1.00 0.00 C ATOM 960 O ALA A 60 0.343 -11.506 -15.313 1.00 0.00 O ATOM 961 CB ALA A 60 1.857 -8.703 -14.152 1.00 0.00 C ATOM 0 H ALA A 60 0.964 -8.951 -11.906 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.199 -9.248 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.120 -8.770 -15.208 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.612 -7.670 -13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.701 -9.031 -13.546 1.00 0.00 H new ATOM 967 N MET A 61 1.708 -11.805 -13.545 1.00 0.00 N ATOM 968 CA MET A 61 2.003 -13.227 -13.755 1.00 0.00 C ATOM 969 C MET A 61 0.744 -14.104 -13.691 1.00 0.00 C ATOM 970 O MET A 61 0.593 -15.011 -14.510 1.00 0.00 O ATOM 971 CB MET A 61 3.043 -13.678 -12.717 1.00 0.00 C ATOM 972 CG MET A 61 3.476 -15.139 -12.887 1.00 0.00 C ATOM 973 SD MET A 61 4.535 -15.766 -11.554 1.00 0.00 S ATOM 974 CE MET A 61 3.323 -15.905 -10.210 1.00 0.00 C ATOM 0 H MET A 61 2.190 -11.421 -12.732 1.00 0.00 H new ATOM 0 HA MET A 61 2.405 -13.349 -14.761 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.921 -13.036 -12.789 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.630 -13.543 -11.717 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.585 -15.764 -12.952 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.006 -15.240 -13.834 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.790 -16.378 -9.346 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.971 -14.911 -9.933 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.479 -16.509 -10.542 1.00 0.00 H new ATOM 984 N LEU A 62 -0.166 -13.856 -12.740 1.00 0.00 N ATOM 985 CA LEU A 62 -1.480 -14.499 -12.656 1.00 0.00 C ATOM 986 C LEU A 62 -2.341 -14.137 -13.874 1.00 0.00 C ATOM 987 O LEU A 62 -2.639 -14.999 -14.709 1.00 0.00 O ATOM 988 CB LEU A 62 -2.193 -14.076 -11.355 1.00 0.00 C ATOM 989 CG LEU A 62 -1.661 -14.712 -10.057 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.326 -14.001 -8.874 1.00 0.00 C ATOM 991 CD2 LEU A 62 -1.991 -16.204 -9.967 1.00 0.00 C ATOM 0 H LEU A 62 -0.003 -13.185 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.336 -15.579 -12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.122 -12.992 -11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.251 -14.319 -11.448 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.576 -14.605 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.966 -14.433 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.079 -12.940 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.407 -14.123 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.596 -16.608 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.072 -16.340 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.540 -16.728 -10.810 1.00 0.00 H new ATOM 1003 N SER A 63 -2.742 -12.866 -13.964 1.00 0.00 N ATOM 1004 CA SER A 63 -3.694 -12.326 -14.935 1.00 0.00 C ATOM 1005 C SER A 63 -3.024 -12.076 -16.298 1.00 0.00 C ATOM 1006 O SER A 63 -2.983 -10.953 -16.794 1.00 0.00 O ATOM 1007 CB SER A 63 -4.391 -11.089 -14.330 1.00 0.00 C ATOM 1008 OG SER A 63 -3.537 -9.958 -14.180 1.00 0.00 O ATOM 0 H SER A 63 -2.392 -12.150 -13.328 1.00 0.00 H new ATOM 0 HA SER A 63 -4.474 -13.058 -15.144 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.234 -10.813 -14.964 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.799 -11.355 -13.355 1.00 0.00 H new ATOM 0 HG SER A 63 -2.651 -10.254 -13.884 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.529 -13.148 -16.935 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.323 -13.205 -17.791 1.00 0.00 C ATOM 1016 C LYS A 64 -1.079 -11.915 -18.592 1.00 0.00 C ATOM 1017 O LYS A 64 -1.717 -11.668 -19.616 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.451 -14.404 -18.757 1.00 0.00 C ATOM 1019 CG LYS A 64 -1.588 -15.782 -18.087 1.00 0.00 C ATOM 1020 CD LYS A 64 -0.251 -16.318 -17.558 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.470 -17.525 -16.637 1.00 0.00 C ATOM 1022 NZ LYS A 64 -0.939 -17.099 -15.299 1.00 0.00 N ATOM 0 H LYS A 64 -2.985 -14.058 -16.865 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.464 -13.323 -17.131 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.319 -14.242 -19.396 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.576 -14.420 -19.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.298 -15.712 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.001 -16.491 -18.805 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.387 -16.605 -18.394 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.271 -15.531 -17.014 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.201 -18.199 -17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.460 -18.084 -16.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.208 -17.936 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.176 -16.589 -14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.763 -16.473 -15.403 1.00 0.00 H new ATOM 1036 N THR A 65 -0.193 -11.065 -18.066 1.00 0.00 N ATOM 1037 CA THR A 65 -0.029 -9.645 -18.415 1.00 0.00 C ATOM 1038 C THR A 65 1.440 -9.220 -18.436 1.00 0.00 C ATOM 1039 O THR A 65 2.258 -9.751 -17.686 1.00 0.00 O ATOM 1040 CB THR A 65 -0.853 -8.824 -17.408 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.182 -8.817 -17.860 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.416 -7.395 -17.109 1.00 0.00 C ATOM 0 H THR A 65 0.466 -11.362 -17.346 1.00 0.00 H new ATOM 0 HA THR A 65 -0.391 -9.468 -19.428 1.00 0.00 H new ATOM 0 HB THR A 65 -0.701 -9.325 -16.452 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.535 -9.731 -17.852 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.096 -6.951 -16.382 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.595 -7.401 -16.703 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.434 -6.809 -18.028 1.00 0.00 H new ATOM 1050 N LYS A 66 1.772 -8.244 -19.295 1.00 0.00 N ATOM 1051 CA LYS A 66 3.140 -7.733 -19.469 1.00 0.00 C ATOM 1052 C LYS A 66 3.453 -6.619 -18.452 1.00 0.00 C ATOM 1053 O LYS A 66 2.566 -5.870 -18.047 1.00 0.00 O ATOM 1054 CB LYS A 66 3.301 -7.304 -20.943 1.00 0.00 C ATOM 1055 CG LYS A 66 4.762 -7.151 -21.407 1.00 0.00 C ATOM 1056 CD LYS A 66 5.247 -5.699 -21.379 1.00 0.00 C ATOM 1057 CE LYS A 66 6.756 -5.613 -21.633 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.226 -4.253 -21.314 1.00 0.00 N ATOM 0 H LYS A 66 1.089 -7.782 -19.896 1.00 0.00 H new ATOM 0 HA LYS A 66 3.878 -8.507 -19.260 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.806 -8.039 -21.578 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.785 -6.355 -21.091 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.406 -7.756 -20.769 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.859 -7.542 -22.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.715 -5.121 -22.134 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.012 -5.253 -20.412 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.282 -6.345 -21.020 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.976 -5.852 -22.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.236 -4.171 -21.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.684 -3.560 -21.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.091 -4.068 -20.300 1.00 0.00 H new ATOM 1072 N VAL A 67 4.724 -6.501 -18.053 1.00 0.00 N ATOM 1073 CA VAL A 67 5.202 -5.584 -17.001 1.00 0.00 C ATOM 1074 C VAL A 67 6.124 -4.501 -17.579 1.00 0.00 C ATOM 1075 O VAL A 67 6.821 -4.719 -18.575 1.00 0.00 O ATOM 1076 CB VAL A 67 5.925 -6.388 -15.888 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.329 -5.529 -14.680 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.053 -7.532 -15.349 1.00 0.00 C ATOM 0 H VAL A 67 5.475 -7.056 -18.463 1.00 0.00 H new ATOM 0 HA VAL A 67 4.339 -5.079 -16.568 1.00 0.00 H new ATOM 0 HB VAL A 67 6.820 -6.774 -16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.829 -6.154 -13.940 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.006 -4.739 -15.005 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.439 -5.084 -14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.597 -8.069 -14.572 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.133 -7.123 -14.931 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.809 -8.217 -16.161 1.00 0.00 H new ATOM 1088 N TYR A 68 6.165 -3.335 -16.929 1.00 0.00 N ATOM 1089 CA TYR A 68 7.100 -2.253 -17.221 1.00 0.00 C ATOM 1090 C TYR A 68 7.610 -1.578 -15.941 1.00 0.00 C ATOM 1091 O TYR A 68 6.881 -1.474 -14.952 1.00 0.00 O ATOM 1092 CB TYR A 68 6.387 -1.232 -18.101 1.00 0.00 C ATOM 1093 CG TYR A 68 7.321 -0.328 -18.864 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.870 -0.791 -20.067 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.654 0.955 -18.387 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.752 0.015 -20.790 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.545 1.766 -19.114 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.101 1.294 -20.320 1.00 0.00 C ATOM 1099 OH TYR A 68 9.974 2.059 -21.027 1.00 0.00 O ATOM 0 H TYR A 68 5.529 -3.114 -16.163 1.00 0.00 H new ATOM 0 HA TYR A 68 7.969 -2.665 -17.733 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.748 -1.760 -18.809 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.734 -0.621 -17.477 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.611 -1.772 -20.436 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.226 1.316 -17.464 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.170 -0.347 -21.718 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.802 2.749 -18.748 1.00 0.00 H new ATOM 0 HH TYR A 68 10.365 1.526 -21.751 1.00 0.00 H new ATOM 1109 N TYR A 69 8.844 -1.061 -16.000 1.00 0.00 N ATOM 1110 CA TYR A 69 9.554 -0.436 -14.886 1.00 0.00 C ATOM 1111 C TYR A 69 10.117 0.921 -15.294 1.00 0.00 C ATOM 1112 O TYR A 69 10.898 1.022 -16.237 1.00 0.00 O ATOM 1113 CB TYR A 69 10.661 -1.366 -14.380 1.00 0.00 C ATOM 1114 CG TYR A 69 10.107 -2.474 -13.518 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.620 -2.150 -12.241 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.012 -3.794 -14.003 1.00 0.00 C ATOM 1117 CE1 TYR A 69 9.019 -3.140 -11.453 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.416 -4.793 -13.212 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.907 -4.461 -11.938 1.00 0.00 C ATOM 1120 OH TYR A 69 8.345 -5.415 -11.153 1.00 0.00 O ATOM 0 H TYR A 69 9.393 -1.069 -16.860 1.00 0.00 H new ATOM 0 HA TYR A 69 8.849 -0.267 -14.072 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.192 -1.796 -15.229 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.388 -0.789 -13.809 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.709 -1.140 -11.868 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.397 -4.038 -14.982 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.641 -2.892 -10.472 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.348 -5.807 -13.577 1.00 0.00 H new ATOM 0 HH TYR A 69 8.151 -6.210 -11.692 1.00 0.00 H new ATOM 1130 N PHE A 70 9.674 1.959 -14.584 1.00 0.00 N ATOM 1131 CA PHE A 70 9.868 3.362 -14.940 1.00 0.00 C ATOM 1132 C PHE A 70 9.955 4.224 -13.667 1.00 0.00 C ATOM 1133 O PHE A 70 9.384 5.307 -13.579 1.00 0.00 O ATOM 1134 CB PHE A 70 8.687 3.711 -15.846 1.00 0.00 C ATOM 1135 CG PHE A 70 8.680 5.025 -16.600 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.809 5.867 -16.685 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.499 5.362 -17.286 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.757 7.019 -17.493 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.434 6.543 -18.044 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.568 7.361 -18.160 1.00 0.00 C ATOM 0 H PHE A 70 9.152 1.840 -13.716 1.00 0.00 H new ATOM 0 HA PHE A 70 10.803 3.552 -15.467 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.595 2.913 -16.583 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.787 3.683 -15.232 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.707 5.630 -16.134 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.639 4.711 -17.230 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.633 7.641 -17.601 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.514 6.821 -18.536 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.527 8.256 -18.763 1.00 0.00 H new ATOM 1150 N GLN A 71 10.605 3.677 -12.637 1.00 0.00 N ATOM 1151 CA GLN A 71 10.690 4.231 -11.287 1.00 0.00 C ATOM 1152 C GLN A 71 12.073 4.852 -11.026 1.00 0.00 C ATOM 1153 O GLN A 71 12.749 4.526 -10.050 1.00 0.00 O ATOM 1154 CB GLN A 71 10.259 3.159 -10.265 1.00 0.00 C ATOM 1155 CG GLN A 71 11.034 1.827 -10.322 1.00 0.00 C ATOM 1156 CD GLN A 71 10.608 0.867 -9.210 1.00 0.00 C ATOM 1157 OE1 GLN A 71 9.827 -0.048 -9.417 1.00 0.00 O ATOM 1158 NE2 GLN A 71 11.124 1.033 -8.004 1.00 0.00 N ATOM 0 H GLN A 71 11.109 2.795 -12.728 1.00 0.00 H new ATOM 0 HA GLN A 71 9.994 5.062 -11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.364 3.576 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.200 2.948 -10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.871 1.354 -11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.103 2.026 -10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.777 1.797 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.869 0.397 -7.248 1.00 0.00 H new ATOM 1167 N GLY A 72 12.492 5.770 -11.904 1.00 0.00 N ATOM 1168 CA GLY A 72 13.755 6.511 -11.900 1.00 0.00 C ATOM 1169 C GLY A 72 13.861 7.564 -10.792 1.00 0.00 C ATOM 1170 O GLY A 72 14.362 8.661 -11.028 1.00 0.00 O ATOM 0 H GLY A 72 11.909 6.034 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.578 5.804 -11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.879 7.002 -12.865 1.00 0.00 H new ATOM 1174 N GLY A 73 13.350 7.260 -9.595 1.00 0.00 N ATOM 1175 CA GLY A 73 13.297 8.156 -8.441 1.00 0.00 C ATOM 1176 C GLY A 73 12.173 9.199 -8.493 1.00 0.00 C ATOM 1177 O GLY A 73 11.893 9.823 -7.468 1.00 0.00 O ATOM 0 H GLY A 73 12.946 6.344 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.178 7.557 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.252 8.674 -8.356 1.00 0.00 H new ATOM 1181 N ASN A 74 11.513 9.395 -9.642 1.00 0.00 N ATOM 1182 CA ASN A 74 10.740 10.601 -9.956 1.00 0.00 C ATOM 1183 C ASN A 74 9.249 10.319 -10.258 1.00 0.00 C ATOM 1184 O ASN A 74 8.490 11.243 -10.571 1.00 0.00 O ATOM 1185 CB ASN A 74 11.497 11.290 -11.105 1.00 0.00 C ATOM 1186 CG ASN A 74 10.954 12.665 -11.443 1.00 0.00 C ATOM 1187 OD1 ASN A 74 10.243 12.854 -12.419 1.00 0.00 O ATOM 1188 ND2 ASN A 74 11.267 13.668 -10.646 1.00 0.00 N ATOM 0 H ASN A 74 11.502 8.705 -10.393 1.00 0.00 H new ATOM 0 HA ASN A 74 10.674 11.262 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.549 11.379 -10.835 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.448 10.659 -11.993 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.915 14.605 -10.843 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.861 13.507 -9.832 1.00 0.00 H new ATOM 1195 N ASN A 75 8.832 9.053 -10.120 1.00 0.00 N ATOM 1196 CA ASN A 75 7.514 8.503 -10.451 1.00 0.00 C ATOM 1197 C ASN A 75 7.032 8.927 -11.859 1.00 0.00 C ATOM 1198 O ASN A 75 5.896 9.371 -12.052 1.00 0.00 O ATOM 1199 CB ASN A 75 6.514 8.825 -9.326 1.00 0.00 C ATOM 1200 CG ASN A 75 6.948 8.429 -7.918 1.00 0.00 C ATOM 1201 OD1 ASN A 75 7.756 7.542 -7.688 1.00 0.00 O ATOM 1202 ND2 ASN A 75 6.369 9.053 -6.915 1.00 0.00 N ATOM 0 H ASN A 75 9.454 8.336 -9.747 1.00 0.00 H new ATOM 0 HA ASN A 75 7.593 7.417 -10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.317 9.897 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.572 8.325 -9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.596 8.795 -5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.693 9.795 -7.098 1.00 0.00 H new ATOM 1209 N GLU A 76 7.941 8.832 -12.836 1.00 0.00 N ATOM 1210 CA GLU A 76 7.949 9.572 -14.103 1.00 0.00 C ATOM 1211 C GLU A 76 6.624 9.609 -14.880 1.00 0.00 C ATOM 1212 O GLU A 76 6.223 10.688 -15.330 1.00 0.00 O ATOM 1213 CB GLU A 76 9.047 9.027 -15.023 1.00 0.00 C ATOM 1214 CG GLU A 76 10.479 9.244 -14.519 1.00 0.00 C ATOM 1215 CD GLU A 76 10.939 8.132 -13.570 1.00 0.00 C ATOM 1216 OE1 GLU A 76 10.619 8.216 -12.358 1.00 0.00 O ATOM 1217 OE2 GLU A 76 11.607 7.195 -14.059 1.00 0.00 O ATOM 0 H GLU A 76 8.737 8.199 -12.759 1.00 0.00 H new ATOM 0 HA GLU A 76 8.136 10.603 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.885 7.958 -15.164 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.947 9.496 -16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.157 9.295 -15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.539 10.204 -14.006 1.00 0.00 H new ATOM 1224 N LEU A 77 5.935 8.468 -15.034 1.00 0.00 N ATOM 1225 CA LEU A 77 4.669 8.358 -15.774 1.00 0.00 C ATOM 1226 C LEU A 77 3.531 9.189 -15.162 1.00 0.00 C ATOM 1227 O LEU A 77 2.555 9.475 -15.857 1.00 0.00 O ATOM 1228 CB LEU A 77 4.269 6.879 -15.885 1.00 0.00 C ATOM 1229 CG LEU A 77 3.102 6.549 -16.827 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.379 6.928 -18.277 1.00 0.00 C ATOM 1231 CD2 LEU A 77 2.875 5.043 -16.822 1.00 0.00 C ATOM 0 H LEU A 77 6.248 7.580 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 77 4.837 8.774 -16.767 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.142 6.314 -16.213 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.014 6.520 -14.888 1.00 0.00 H new ATOM 0 HG LEU A 77 2.245 7.117 -16.465 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.517 6.670 -18.892 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.564 8.000 -18.344 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.255 6.386 -18.634 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.048 4.798 -17.488 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.778 4.538 -17.164 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.636 4.714 -15.811 1.00 0.00 H new ATOM 1243 N GLY A 78 3.680 9.676 -13.920 1.00 0.00 N ATOM 1244 CA GLY A 78 2.855 10.760 -13.386 1.00 0.00 C ATOM 1245 C GLY A 78 2.746 11.939 -14.365 1.00 0.00 C ATOM 1246 O GLY A 78 1.693 12.564 -14.447 1.00 0.00 O ATOM 0 H GLY A 78 4.376 9.327 -13.262 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.858 10.380 -13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.280 11.109 -12.445 1.00 0.00 H new ATOM 1250 N THR A 79 3.786 12.194 -15.172 1.00 0.00 N ATOM 1251 CA THR A 79 3.808 13.189 -16.257 1.00 0.00 C ATOM 1252 C THR A 79 2.654 12.986 -17.250 1.00 0.00 C ATOM 1253 O THR A 79 1.978 13.955 -17.601 1.00 0.00 O ATOM 1254 CB THR A 79 5.156 13.165 -17.008 1.00 0.00 C ATOM 1255 OG1 THR A 79 6.232 13.092 -16.094 1.00 0.00 O ATOM 1256 CG2 THR A 79 5.363 14.419 -17.857 1.00 0.00 C ATOM 0 H THR A 79 4.670 11.694 -15.084 1.00 0.00 H new ATOM 0 HA THR A 79 3.681 14.165 -15.788 1.00 0.00 H new ATOM 0 HB THR A 79 5.130 12.288 -17.654 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.486 12.155 -15.962 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.324 14.358 -18.367 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.565 14.495 -18.595 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.348 15.300 -17.215 1.00 0.00 H new ATOM 1264 N ALA A 80 2.392 11.740 -17.665 1.00 0.00 N ATOM 1265 CA ALA A 80 1.191 11.360 -18.403 1.00 0.00 C ATOM 1266 C ALA A 80 -0.061 11.468 -17.518 1.00 0.00 C ATOM 1267 O ALA A 80 -0.986 12.204 -17.871 1.00 0.00 O ATOM 1268 CB ALA A 80 1.353 9.939 -18.970 1.00 0.00 C ATOM 0 H ALA A 80 3.023 10.957 -17.492 1.00 0.00 H new ATOM 0 HA ALA A 80 1.059 12.052 -19.235 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.453 9.662 -19.519 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.211 9.911 -19.641 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.509 9.236 -18.152 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.107 10.748 -16.390 1.00 0.00 N ATOM 1275 CA VAL A 81 -1.385 10.342 -15.775 1.00 0.00 C ATOM 1276 C VAL A 81 -1.885 11.181 -14.591 1.00 0.00 C ATOM 1277 O VAL A 81 -3.043 11.016 -14.214 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.369 8.849 -15.396 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -0.999 7.974 -16.599 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -0.421 8.532 -14.233 1.00 0.00 C ATOM 0 H VAL A 81 0.721 10.434 -15.883 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.110 10.536 -16.565 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.384 8.620 -15.070 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.996 6.926 -16.299 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.729 8.122 -17.395 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.008 8.251 -16.959 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.456 7.465 -14.015 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.596 8.813 -14.506 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.728 9.093 -13.350 1.00 0.00 H new ATOM 1290 N GLY A 82 -1.070 12.074 -14.011 1.00 0.00 N ATOM 1291 CA GLY A 82 -1.476 12.826 -12.810 1.00 0.00 C ATOM 1292 C GLY A 82 -0.874 14.217 -12.602 1.00 0.00 C ATOM 1293 O GLY A 82 -1.437 15.003 -11.840 1.00 0.00 O ATOM 0 H GLY A 82 -0.133 12.294 -14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.561 12.930 -12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.231 12.221 -11.937 1.00 0.00 H new ATOM 1297 N LYS A 83 0.229 14.540 -13.290 1.00 0.00 N ATOM 1298 CA LYS A 83 1.043 15.761 -13.239 1.00 0.00 C ATOM 1299 C LYS A 83 1.397 16.197 -11.810 1.00 0.00 C ATOM 1300 O LYS A 83 2.515 15.950 -11.365 1.00 0.00 O ATOM 1301 CB LYS A 83 0.414 16.890 -14.083 1.00 0.00 C ATOM 1302 CG LYS A 83 0.262 16.572 -15.586 1.00 0.00 C ATOM 1303 CD LYS A 83 -1.055 15.859 -15.946 1.00 0.00 C ATOM 1304 CE LYS A 83 -1.309 15.888 -17.458 1.00 0.00 C ATOM 1305 NZ LYS A 83 -0.522 14.866 -18.186 1.00 0.00 N ATOM 0 H LYS A 83 0.613 13.882 -13.968 1.00 0.00 H new ATOM 0 HA LYS A 83 2.002 15.520 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.569 17.124 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.025 17.787 -13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.326 17.501 -16.152 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.099 15.948 -15.901 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.018 14.826 -15.601 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.885 16.339 -15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.370 15.728 -17.648 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.062 16.876 -17.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.513 15.093 -19.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.453 14.856 -17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.953 13.930 -18.045 1.00 0.00 H new ATOM 1319 N LEU A 84 0.441 16.821 -11.116 1.00 0.00 N ATOM 1320 CA LEU A 84 0.477 17.204 -9.706 1.00 0.00 C ATOM 1321 C LEU A 84 0.553 15.965 -8.804 1.00 0.00 C ATOM 1322 O LEU A 84 1.434 15.887 -7.949 1.00 0.00 O ATOM 1323 CB LEU A 84 -0.768 18.047 -9.359 1.00 0.00 C ATOM 1324 CG LEU A 84 -0.721 19.519 -9.818 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -0.792 19.697 -11.341 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -1.905 20.273 -9.204 1.00 0.00 C ATOM 0 H LEU A 84 -0.439 17.089 -11.557 1.00 0.00 H new ATOM 0 HA LEU A 84 1.371 17.802 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.642 17.573 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.910 18.026 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 84 0.240 19.911 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.754 20.759 -11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.051 19.187 -11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.724 19.272 -11.714 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.878 21.315 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.838 19.816 -9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.842 20.226 -8.117 1.00 0.00 H new ATOM 1338 N PHE A 85 -0.338 14.980 -8.998 1.00 0.00 N ATOM 1339 CA PHE A 85 -0.239 13.713 -8.275 1.00 0.00 C ATOM 1340 C PHE A 85 0.802 12.814 -8.928 1.00 0.00 C ATOM 1341 O PHE A 85 0.540 12.000 -9.814 1.00 0.00 O ATOM 1342 CB PHE A 85 -1.586 13.056 -7.998 1.00 0.00 C ATOM 1343 CG PHE A 85 -2.538 12.827 -9.155 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -3.360 13.876 -9.612 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -2.668 11.542 -9.717 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -4.317 13.636 -10.613 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -3.629 11.302 -10.716 1.00 0.00 C ATOM 1348 CZ PHE A 85 -4.460 12.346 -11.158 1.00 0.00 C ATOM 0 H PHE A 85 -1.125 15.040 -9.644 1.00 0.00 H new ATOM 0 HA PHE A 85 0.124 13.923 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.392 12.089 -7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.105 13.666 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.255 14.866 -9.193 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.029 10.739 -9.380 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.944 14.442 -10.965 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.728 10.315 -11.144 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.207 12.159 -11.915 1.00 0.00 H new ATOM 1358 N ARG A 86 2.032 13.043 -8.474 1.00 0.00 N ATOM 1359 CA ARG A 86 3.276 12.451 -8.966 1.00 0.00 C ATOM 1360 C ARG A 86 3.409 10.974 -8.556 1.00 0.00 C ATOM 1361 O ARG A 86 4.309 10.601 -7.806 1.00 0.00 O ATOM 1362 CB ARG A 86 4.458 13.337 -8.505 1.00 0.00 C ATOM 1363 CG ARG A 86 5.756 13.102 -9.299 1.00 0.00 C ATOM 1364 CD ARG A 86 5.655 13.701 -10.704 1.00 0.00 C ATOM 1365 NE ARG A 86 6.781 13.307 -11.568 1.00 0.00 N ATOM 1366 CZ ARG A 86 6.819 13.502 -12.879 1.00 0.00 C ATOM 1367 NH1 ARG A 86 5.830 14.070 -13.526 1.00 0.00 N ATOM 1368 NH2 ARG A 86 7.843 13.139 -13.602 1.00 0.00 N ATOM 0 H ARG A 86 2.198 13.689 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 86 3.276 12.430 -10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.172 14.385 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.650 13.150 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.597 13.549 -8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.955 12.033 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.720 13.383 -11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.621 14.788 -10.630 1.00 0.00 H new ATOM 0 HE ARG A 86 7.583 12.855 -11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.999 14.377 -13.020 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.892 14.205 -14.535 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.646 12.691 -13.160 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.841 13.304 -14.609 1.00 0.00 H new ATOM 1382 N VAL A 87 2.500 10.135 -9.059 1.00 0.00 N ATOM 1383 CA VAL A 87 2.442 8.680 -8.861 1.00 0.00 C ATOM 1384 C VAL A 87 2.051 8.024 -10.187 1.00 0.00 C ATOM 1385 O VAL A 87 0.915 8.162 -10.636 1.00 0.00 O ATOM 1386 CB VAL A 87 1.450 8.297 -7.737 1.00 0.00 C ATOM 1387 CG1 VAL A 87 1.374 6.770 -7.565 1.00 0.00 C ATOM 1388 CG2 VAL A 87 1.857 8.897 -6.384 1.00 0.00 C ATOM 0 H VAL A 87 1.739 10.470 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 87 3.422 8.321 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 87 0.482 8.697 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.670 6.528 -6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.038 6.315 -8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.360 6.383 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.134 8.603 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.845 8.530 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.882 9.984 -6.461 1.00 0.00 H new ATOM 1398 N GLY A 88 2.988 7.312 -10.819 1.00 0.00 N ATOM 1399 CA GLY A 88 2.810 6.682 -12.126 1.00 0.00 C ATOM 1400 C GLY A 88 2.724 5.154 -12.069 1.00 0.00 C ATOM 1401 O GLY A 88 3.187 4.482 -12.990 1.00 0.00 O ATOM 0 H GLY A 88 3.915 7.155 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.901 7.071 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.641 6.966 -12.772 1.00 0.00 H new ATOM 1405 N VAL A 89 2.144 4.583 -11.005 1.00 0.00 N ATOM 1406 CA VAL A 89 1.721 3.176 -11.028 1.00 0.00 C ATOM 1407 C VAL A 89 0.394 3.070 -11.793 1.00 0.00 C ATOM 1408 O VAL A 89 -0.647 3.571 -11.352 1.00 0.00 O ATOM 1409 CB VAL A 89 1.736 2.526 -9.628 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.549 2.858 -8.722 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.834 1.004 -9.757 1.00 0.00 C ATOM 0 H VAL A 89 1.958 5.067 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 89 2.449 2.575 -11.573 1.00 0.00 H new ATOM 0 HB VAL A 89 2.612 2.958 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.666 2.347 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.508 3.934 -8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.375 2.530 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.844 0.555 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.976 0.630 -10.316 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.752 0.742 -10.283 1.00 0.00 H new ATOM 1421 N VAL A 90 0.464 2.485 -12.993 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.621 2.441 -13.983 1.00 0.00 C ATOM 1423 C VAL A 90 -0.851 0.993 -14.405 1.00 0.00 C ATOM 1424 O VAL A 90 0.034 0.136 -14.311 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.301 3.316 -15.227 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.493 3.463 -16.191 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.175 4.723 -14.847 1.00 0.00 C ATOM 0 H VAL A 90 1.308 2.011 -13.315 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.523 2.846 -13.524 1.00 0.00 H new ATOM 0 HB VAL A 90 0.500 2.777 -15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.202 4.085 -17.037 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.794 2.479 -16.551 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.328 3.929 -15.668 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.385 5.293 -15.752 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.602 5.227 -14.273 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.081 4.650 -14.246 1.00 0.00 H new ATOM 1437 N SER A 91 -2.033 0.678 -14.923 1.00 0.00 N ATOM 1438 CA SER A 91 -2.203 -0.509 -15.758 1.00 0.00 C ATOM 1439 C SER A 91 -3.238 -0.246 -16.849 1.00 0.00 C ATOM 1440 O SER A 91 -4.114 0.604 -16.687 1.00 0.00 O ATOM 1441 CB SER A 91 -2.560 -1.711 -14.882 1.00 0.00 C ATOM 1442 OG SER A 91 -1.641 -1.829 -13.806 1.00 0.00 O ATOM 0 H SER A 91 -2.884 1.223 -14.782 1.00 0.00 H new ATOM 0 HA SER A 91 -1.266 -0.743 -16.264 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.572 -1.598 -14.494 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.548 -2.622 -15.481 1.00 0.00 H new ATOM 0 HG SER A 91 -0.788 -1.418 -14.058 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.124 -0.974 -17.961 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.963 -0.855 -19.152 1.00 0.00 C ATOM 1450 C ILE A 92 -4.610 -2.220 -19.435 1.00 0.00 C ATOM 1451 O ILE A 92 -3.970 -3.277 -19.331 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.162 -0.323 -20.366 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.230 0.883 -20.071 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.129 0.046 -21.507 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.935 2.183 -19.674 1.00 0.00 C ATOM 0 H ILE A 92 -2.410 -1.696 -18.059 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.749 -0.121 -18.972 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.500 -1.141 -20.650 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.546 0.603 -19.270 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.623 1.075 -20.956 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.561 0.420 -22.359 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.693 -0.838 -21.806 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.819 0.817 -21.164 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.192 2.959 -19.491 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.598 2.498 -20.480 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.518 2.019 -18.768 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.899 -2.168 -19.771 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.791 -3.310 -19.928 1.00 0.00 C ATOM 1469 C LEU A 93 -7.146 -3.487 -21.409 1.00 0.00 C ATOM 1470 O LEU A 93 -6.769 -4.483 -22.029 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.039 -3.110 -19.039 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.747 -3.060 -17.520 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.472 -1.641 -16.995 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -8.946 -3.602 -16.738 1.00 0.00 C ATOM 0 H LEU A 93 -6.370 -1.281 -19.950 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.300 -4.227 -19.603 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.532 -2.183 -19.331 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.741 -3.920 -19.234 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.852 -3.665 -17.374 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.275 -1.681 -15.924 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.605 -1.225 -17.508 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.341 -1.010 -17.181 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.732 -3.563 -15.670 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.826 -2.995 -16.954 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.136 -4.634 -17.032 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.832 -2.501 -21.992 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.209 -2.460 -23.406 1.00 0.00 C ATOM 1488 C GLU A 94 -7.631 -1.197 -24.048 1.00 0.00 C ATOM 1489 O GLU A 94 -8.262 -0.139 -24.019 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.738 -2.510 -23.598 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.416 -3.834 -23.215 1.00 0.00 C ATOM 1492 CD GLU A 94 -10.522 -4.079 -21.705 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.832 -3.128 -20.951 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -10.295 -5.242 -21.302 1.00 0.00 O ATOM 0 H GLU A 94 -8.151 -1.682 -21.475 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.797 -3.344 -23.893 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.186 -1.710 -23.008 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.961 -2.298 -24.644 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.418 -3.853 -23.645 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.860 -4.656 -23.666 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.436 -1.293 -24.650 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.896 -0.224 -25.489 1.00 0.00 C ATOM 1503 C ALA A 95 -6.635 -0.138 -26.841 1.00 0.00 C ATOM 1504 O ALA A 95 -6.039 -0.307 -27.904 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.378 -0.347 -25.653 1.00 0.00 C ATOM 0 H ALA A 95 -5.826 -2.106 -24.568 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.075 0.721 -24.977 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.013 0.465 -26.283 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.901 -0.290 -24.675 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.139 -1.303 -26.119 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.938 0.162 -26.806 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.799 0.378 -27.975 1.00 0.00 C ATOM 1513 C GLY A 96 -8.516 1.694 -28.708 1.00 0.00 C ATOM 1514 O GLY A 96 -9.448 2.363 -29.138 1.00 0.00 O ATOM 0 H GLY A 96 -8.443 0.265 -25.926 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.669 -0.451 -28.670 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.841 0.366 -27.656 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.239 2.076 -28.801 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.764 3.369 -29.278 1.00 0.00 C ATOM 1520 C ASP A 97 -5.486 3.170 -30.119 1.00 0.00 C ATOM 1521 O ASP A 97 -5.592 2.967 -31.326 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.607 4.305 -28.064 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.575 5.779 -28.464 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.729 6.161 -29.302 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.445 6.551 -27.978 1.00 0.00 O ATOM 0 H ASP A 97 -6.474 1.458 -28.531 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.476 3.850 -29.949 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.431 4.137 -27.371 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.688 4.056 -27.533 1.00 0.00 H new ATOM 1530 N SER A 98 -4.293 3.174 -29.499 1.00 0.00 N ATOM 1531 CA SER A 98 -3.042 2.709 -30.114 1.00 0.00 C ATOM 1532 C SER A 98 -2.518 1.401 -29.502 1.00 0.00 C ATOM 1533 O SER A 98 -2.856 0.993 -28.397 1.00 0.00 O ATOM 1534 CB SER A 98 -1.996 3.833 -30.113 1.00 0.00 C ATOM 1535 OG SER A 98 -1.026 3.722 -31.153 1.00 0.00 O ATOM 0 H SER A 98 -4.171 3.506 -28.542 1.00 0.00 H new ATOM 0 HA SER A 98 -3.259 2.459 -31.152 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.507 4.791 -30.207 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.484 3.838 -29.151 1.00 0.00 H new ATOM 0 HG SER A 98 -0.189 3.369 -30.784 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.569 0.819 -30.219 1.00 0.00 N ATOM 1542 CA ASP A 99 -0.822 -0.433 -30.113 1.00 0.00 C ATOM 1543 C ASP A 99 -0.078 -0.779 -28.798 1.00 0.00 C ATOM 1544 O ASP A 99 0.626 -1.787 -28.787 1.00 0.00 O ATOM 1545 CB ASP A 99 0.213 -0.322 -31.252 1.00 0.00 C ATOM 1546 CG ASP A 99 1.164 0.869 -31.031 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.710 2.040 -31.048 1.00 0.00 O ATOM 1548 OD2 ASP A 99 2.370 0.660 -30.776 1.00 0.00 O ATOM 0 H ASP A 99 -1.244 1.313 -31.050 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.554 -1.240 -30.156 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.790 -1.245 -31.313 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -0.303 -0.206 -32.205 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.164 0.004 -27.708 1.00 0.00 N ATOM 1554 CA ILE A 100 0.833 -0.072 -26.613 1.00 0.00 C ATOM 1555 C ILE A 100 1.074 -1.500 -26.083 1.00 0.00 C ATOM 1556 O ILE A 100 2.212 -1.963 -26.058 1.00 0.00 O ATOM 1557 CB ILE A 100 0.558 0.949 -25.480 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.879 1.261 -24.746 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.493 0.497 -24.451 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.786 2.406 -23.737 1.00 0.00 C ATOM 0 H ILE A 100 -0.903 0.691 -27.558 1.00 0.00 H new ATOM 0 HA ILE A 100 1.777 0.222 -27.071 1.00 0.00 H new ATOM 0 HB ILE A 100 0.145 1.833 -25.967 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.213 0.362 -24.228 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.642 1.505 -25.485 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.620 1.273 -23.696 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.443 0.321 -24.955 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.161 -0.424 -23.972 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.758 2.557 -23.268 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.484 3.319 -24.250 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.049 2.159 -22.973 1.00 0.00 H new ATOM 1572 N LEU A 101 0.004 -2.225 -25.740 1.00 0.00 N ATOM 1573 CA LEU A 101 0.020 -3.617 -25.279 1.00 0.00 C ATOM 1574 C LEU A 101 0.485 -4.686 -26.290 1.00 0.00 C ATOM 1575 O LEU A 101 0.679 -5.826 -25.874 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.234 -3.997 -24.457 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.564 -3.268 -24.742 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -3.757 -4.130 -25.147 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.924 -2.550 -23.440 1.00 0.00 C ATOM 0 H LEU A 101 -0.940 -1.840 -25.778 1.00 0.00 H new ATOM 0 HA LEU A 101 0.854 -3.634 -24.577 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.407 -5.064 -24.595 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.995 -3.847 -23.404 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.390 -2.630 -25.608 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.625 -3.493 -25.317 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.520 -4.672 -26.062 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.979 -4.841 -24.351 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.861 -2.009 -23.570 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.035 -3.282 -22.640 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.132 -1.847 -23.181 1.00 0.00 H new ATOM 1591 N THR A 102 0.735 -4.347 -27.566 1.00 0.00 N ATOM 1592 CA THR A 102 1.520 -5.197 -28.485 1.00 0.00 C ATOM 1593 C THR A 102 2.925 -4.668 -28.826 1.00 0.00 C ATOM 1594 O THR A 102 3.692 -5.421 -29.424 1.00 0.00 O ATOM 1595 CB THR A 102 0.733 -5.563 -29.756 1.00 0.00 C ATOM 1596 OG1 THR A 102 1.477 -6.515 -30.481 1.00 0.00 O ATOM 1597 CG2 THR A 102 0.435 -4.388 -30.688 1.00 0.00 C ATOM 0 H THR A 102 0.402 -3.481 -27.990 1.00 0.00 H new ATOM 0 HA THR A 102 1.694 -6.110 -27.915 1.00 0.00 H new ATOM 0 HB THR A 102 -0.231 -5.940 -29.415 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.434 -6.326 -30.383 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.122 -4.743 -31.555 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.157 -3.643 -30.156 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.372 -3.939 -31.018 1.00 0.00 H new ATOM 1605 N THR A 103 3.265 -3.416 -28.489 1.00 0.00 N ATOM 1606 CA THR A 103 4.541 -2.770 -28.867 1.00 0.00 C ATOM 1607 C THR A 103 5.524 -2.618 -27.702 1.00 0.00 C ATOM 1608 O THR A 103 6.738 -2.685 -27.891 1.00 0.00 O ATOM 1609 CB THR A 103 4.258 -1.381 -29.460 1.00 0.00 C ATOM 1610 OG1 THR A 103 3.442 -1.499 -30.595 1.00 0.00 O ATOM 1611 CG2 THR A 103 5.499 -0.608 -29.914 1.00 0.00 C ATOM 0 H THR A 103 2.656 -2.810 -27.938 1.00 0.00 H new ATOM 0 HA THR A 103 5.011 -3.427 -29.598 1.00 0.00 H new ATOM 0 HB THR A 103 3.789 -0.833 -28.643 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.335 -0.620 -31.014 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.198 0.359 -30.318 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.164 -0.455 -29.064 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.020 -1.176 -30.684 1.00 0.00 H new ATOM 1619 N LEU A 104 5.012 -2.306 -26.508 1.00 0.00 N ATOM 1620 CA LEU A 104 5.756 -1.623 -25.452 1.00 0.00 C ATOM 1621 C LEU A 104 6.685 -2.560 -24.661 1.00 0.00 C ATOM 1622 O LEU A 104 6.343 -3.029 -23.570 1.00 0.00 O ATOM 1623 CB LEU A 104 4.718 -0.878 -24.600 1.00 0.00 C ATOM 1624 CG LEU A 104 5.179 0.108 -23.505 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.574 -0.327 -22.169 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.690 0.304 -23.363 1.00 0.00 C ATOM 0 H LEU A 104 4.051 -2.526 -26.246 1.00 0.00 H new ATOM 0 HA LEU A 104 6.461 -0.906 -25.872 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.075 -0.324 -25.284 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.096 -1.631 -24.116 1.00 0.00 H new ATOM 0 HG LEU A 104 4.818 1.087 -23.821 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.891 0.361 -21.385 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.486 -0.318 -22.242 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.913 -1.334 -21.927 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.891 1.017 -22.564 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.160 -0.650 -23.124 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.097 0.685 -24.300 1.00 0.00 H new ATOM 1638 N ALA A 105 7.890 -2.762 -25.208 1.00 0.00 N ATOM 1639 CA ALA A 105 9.060 -3.358 -24.560 1.00 0.00 C ATOM 1640 C ALA A 105 9.589 -2.516 -23.384 1.00 0.00 C ATOM 1641 O ALA A 105 10.253 -1.468 -23.607 1.00 0.00 O ATOM 1642 CB ALA A 105 10.132 -3.617 -25.629 1.00 0.00 C ATOM 1643 OXT ALA A 105 9.320 -2.954 -22.242 1.00 0.00 O ATOM 0 H ALA A 105 8.084 -2.497 -26.174 1.00 0.00 H new ATOM 0 HA ALA A 105 8.767 -4.306 -24.108 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.011 -4.061 -25.162 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.737 -4.299 -26.382 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.409 -2.675 -26.102 1.00 0.00 H new TER 1649 ALA A 105