USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 862 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 86 MET CE :methyl -119:sc= -0.234 (180deg=-1.36) USER MOD Set 1.2: A 88 THR OG1 : rot 86:sc= 1.37 USER MOD Set 2.1: A 84 SER OG : rot 170:sc=-0.00301 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 THR OG1 : rot 64:sc= -0.155! USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 61 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Set 5.1: A 51 LYS NZ :NH3+ -145:sc= 0.945 (180deg=1.05) USER MOD Set 5.2: A 60 TYR OH : rot 180:sc= 0.281 USER MOD Set 6.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 22 HIS : no HD1:sc= -7.8! C(o=-7.8!,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0524 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.171 USER MOD Single : A 9 MET CE :methyl -116:sc= 0 (180deg=-1.29) USER MOD Single : A 10 MET CE :methyl -133:sc= -0.261 (180deg=-1.27!) USER MOD Single : A 16 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.56) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-1.9) USER MOD Single : A 38 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0267 (180deg=-0.234) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 67:sc= -0.217 USER MOD Single : A 47 THR OG1 : rot -52:sc= -1.16 USER MOD Single : A 52 THR OG1 : rot 108:sc= 0.308 USER MOD Single : A 53 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.24) USER MOD Single : A 57 ASN : amide:sc= -0.818 K(o=-0.82,f=-3.8!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.139 F(o=-0.82,f=-0.14) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.19 F(o=-1.3,f=-0.19) USER MOD Single : A 66 THR OG1 : rot 45:sc= 1.12 USER MOD Single : A 70 TYR OH : rot 120:sc= -1.97 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.71) USER MOD Single : A 79 THR OG1 : rot 65:sc= 1.22 USER MOD Single : A 81 TYR OH : rot 180:sc=-0.00556 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -40:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0597 USER MOD Single : A 97 SER OG : rot -89:sc= 0.351 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.011) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -171:sc= 1.02 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.803 -5.130 19.051 1.00 0.00 N ATOM 2 CA GLY A 1 -2.563 -4.397 18.877 1.00 0.00 C ATOM 3 C GLY A 1 -1.485 -4.844 19.844 1.00 0.00 C ATOM 4 O GLY A 1 -1.782 -5.376 20.914 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.895 -5.841 18.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.799 -5.605 19.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.606 -4.470 19.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.207 -4.528 17.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.751 -3.332 19.015 1.00 0.00 H new ATOM 8 N SER A 2 -0.228 -4.631 19.466 1.00 0.00 N ATOM 9 CA SER A 2 0.899 -5.021 20.305 1.00 0.00 C ATOM 10 C SER A 2 2.118 -4.150 20.017 1.00 0.00 C ATOM 11 O SER A 2 2.473 -3.923 18.860 1.00 0.00 O ATOM 12 CB SER A 2 1.245 -6.494 20.078 1.00 0.00 C ATOM 13 OG SER A 2 1.801 -7.074 21.245 1.00 0.00 O ATOM 0 H SER A 2 0.035 -4.191 18.584 1.00 0.00 H new ATOM 0 HA SER A 2 0.611 -4.879 21.347 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.348 -7.041 19.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.952 -6.582 19.253 1.00 0.00 H new ATOM 0 HG SER A 2 2.012 -8.016 21.074 1.00 0.00 H new ATOM 19 N SER A 3 2.755 -3.666 21.078 1.00 0.00 N ATOM 20 CA SER A 3 3.933 -2.817 20.940 1.00 0.00 C ATOM 21 C SER A 3 4.890 -3.381 19.895 1.00 0.00 C ATOM 22 O SER A 3 4.973 -4.593 19.702 1.00 0.00 O ATOM 23 CB SER A 3 4.650 -2.681 22.285 1.00 0.00 C ATOM 24 OG SER A 3 5.614 -1.643 22.246 1.00 0.00 O ATOM 0 H SER A 3 2.476 -3.847 22.042 1.00 0.00 H new ATOM 0 HA SER A 3 3.604 -1.832 20.611 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.922 -2.476 23.070 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.136 -3.623 22.539 1.00 0.00 H new ATOM 0 HG SER A 3 6.057 -1.575 23.118 1.00 0.00 H new ATOM 30 N GLY A 4 5.613 -2.490 19.223 1.00 0.00 N ATOM 31 CA GLY A 4 6.556 -2.917 18.205 1.00 0.00 C ATOM 32 C GLY A 4 7.733 -3.675 18.786 1.00 0.00 C ATOM 33 O GLY A 4 8.069 -3.510 19.959 1.00 0.00 O ATOM 0 H GLY A 4 5.563 -1.481 19.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.042 -3.549 17.481 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.921 -2.044 17.664 1.00 0.00 H new ATOM 37 N SER A 5 8.360 -4.511 17.965 1.00 0.00 N ATOM 38 CA SER A 5 9.503 -5.302 18.406 1.00 0.00 C ATOM 39 C SER A 5 10.805 -4.733 17.850 1.00 0.00 C ATOM 40 O SER A 5 10.868 -4.310 16.696 1.00 0.00 O ATOM 41 CB SER A 5 9.342 -6.759 17.966 1.00 0.00 C ATOM 42 OG SER A 5 9.660 -6.916 16.594 1.00 0.00 O ATOM 0 H SER A 5 8.096 -4.658 16.991 1.00 0.00 H new ATOM 0 HA SER A 5 9.544 -5.260 19.494 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.989 -7.397 18.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.317 -7.085 18.145 1.00 0.00 H new ATOM 0 HG SER A 5 9.551 -7.856 16.338 1.00 0.00 H new ATOM 48 N SER A 6 11.842 -4.725 18.681 1.00 0.00 N ATOM 49 CA SER A 6 13.142 -4.204 18.276 1.00 0.00 C ATOM 50 C SER A 6 13.903 -5.231 17.442 1.00 0.00 C ATOM 51 O SER A 6 14.176 -6.340 17.900 1.00 0.00 O ATOM 52 CB SER A 6 13.966 -3.817 19.505 1.00 0.00 C ATOM 53 OG SER A 6 14.005 -4.876 20.447 1.00 0.00 O ATOM 0 H SER A 6 11.807 -5.073 19.639 1.00 0.00 H new ATOM 0 HA SER A 6 12.976 -3.317 17.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.980 -3.560 19.200 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.537 -2.929 19.969 1.00 0.00 H new ATOM 0 HG SER A 6 14.120 -5.728 19.977 1.00 0.00 H new ATOM 59 N GLY A 7 14.243 -4.852 16.214 1.00 0.00 N ATOM 60 CA GLY A 7 14.968 -5.750 15.334 1.00 0.00 C ATOM 61 C GLY A 7 14.884 -5.331 13.880 1.00 0.00 C ATOM 62 O GLY A 7 15.757 -4.634 13.361 1.00 0.00 O ATOM 0 H GLY A 7 14.029 -3.939 15.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.014 -5.786 15.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.570 -6.759 15.442 1.00 0.00 H new ATOM 66 N PRO A 8 13.813 -5.762 13.197 1.00 0.00 N ATOM 67 CA PRO A 8 13.594 -5.440 11.784 1.00 0.00 C ATOM 68 C PRO A 8 13.260 -3.967 11.570 1.00 0.00 C ATOM 69 O PRO A 8 12.950 -3.247 12.518 1.00 0.00 O ATOM 70 CB PRO A 8 12.401 -6.319 11.401 1.00 0.00 C ATOM 71 CG PRO A 8 11.678 -6.556 12.682 1.00 0.00 C ATOM 72 CD PRO A 8 12.734 -6.596 13.752 1.00 0.00 C ATOM 0 HA PRO A 8 14.485 -5.620 11.182 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.761 -5.822 10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.728 -7.257 10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.956 -5.762 12.875 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.121 -7.492 12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.364 -6.198 14.697 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.072 -7.614 13.945 1.00 0.00 H new ATOM 80 N MET A 9 13.326 -3.526 10.318 1.00 0.00 N ATOM 81 CA MET A 9 13.029 -2.139 9.980 1.00 0.00 C ATOM 82 C MET A 9 11.605 -1.774 10.386 1.00 0.00 C ATOM 83 O MET A 9 10.719 -2.628 10.415 1.00 0.00 O ATOM 84 CB MET A 9 13.220 -1.905 8.480 1.00 0.00 C ATOM 85 CG MET A 9 14.629 -1.474 8.107 1.00 0.00 C ATOM 86 SD MET A 9 14.835 0.318 8.127 1.00 0.00 S ATOM 87 CE MET A 9 14.175 0.753 6.521 1.00 0.00 C ATOM 0 H MET A 9 13.582 -4.109 9.521 1.00 0.00 H new ATOM 0 HA MET A 9 13.720 -1.501 10.531 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.975 -2.822 7.944 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.516 -1.143 8.147 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.339 -1.925 8.801 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.870 -1.853 7.114 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.966 1.183 5.907 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.783 -0.140 6.034 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.373 1.481 6.642 1.00 0.00 H new ATOM 97 N MET A 10 11.392 -0.500 10.698 1.00 0.00 N ATOM 98 CA MET A 10 10.074 -0.022 11.102 1.00 0.00 C ATOM 99 C MET A 10 9.251 0.393 9.887 1.00 0.00 C ATOM 100 O MET A 10 9.605 1.316 9.153 1.00 0.00 O ATOM 101 CB MET A 10 10.209 1.156 12.068 1.00 0.00 C ATOM 102 CG MET A 10 10.563 0.741 13.487 1.00 0.00 C ATOM 103 SD MET A 10 9.200 -0.085 14.330 1.00 0.00 S ATOM 104 CE MET A 10 9.687 -1.801 14.160 1.00 0.00 C ATOM 0 H MET A 10 12.114 0.220 10.679 1.00 0.00 H new ATOM 0 HA MET A 10 9.558 -0.838 11.607 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.976 1.835 11.695 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.271 1.712 12.084 1.00 0.00 H new ATOM 0 HG2 MET A 10 11.426 0.076 13.462 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.856 1.623 14.057 1.00 0.00 H new ATOM 0 HE1 MET A 10 8.834 -2.390 13.823 1.00 0.00 H new ATOM 0 HE2 MET A 10 10.493 -1.880 13.431 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.030 -2.179 15.123 1.00 0.00 H new ATOM 114 N PRO A 11 8.125 -0.303 9.667 1.00 0.00 N ATOM 115 CA PRO A 11 7.229 -0.024 8.542 1.00 0.00 C ATOM 116 C PRO A 11 6.494 1.303 8.702 1.00 0.00 C ATOM 117 O PRO A 11 6.516 1.928 9.762 1.00 0.00 O ATOM 118 CB PRO A 11 6.239 -1.191 8.578 1.00 0.00 C ATOM 119 CG PRO A 11 6.244 -1.647 9.997 1.00 0.00 C ATOM 120 CD PRO A 11 7.641 -1.416 10.501 1.00 0.00 C ATOM 0 HA PRO A 11 7.772 0.063 7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.243 -0.875 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.545 -1.991 7.904 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.518 -1.089 10.589 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.972 -2.700 10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.649 -1.157 11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.262 -2.304 10.385 1.00 0.00 H new ATOM 128 N PRO A 12 5.826 1.744 7.625 1.00 0.00 N ATOM 129 CA PRO A 12 5.070 3.000 7.622 1.00 0.00 C ATOM 130 C PRO A 12 3.819 2.926 8.489 1.00 0.00 C ATOM 131 O PRO A 12 3.498 1.876 9.046 1.00 0.00 O ATOM 132 CB PRO A 12 4.691 3.182 6.150 1.00 0.00 C ATOM 133 CG PRO A 12 4.687 1.803 5.587 1.00 0.00 C ATOM 134 CD PRO A 12 5.757 1.049 6.328 1.00 0.00 C ATOM 0 HA PRO A 12 5.651 3.826 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.714 3.654 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.408 3.819 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.714 1.330 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.891 1.818 4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.498 -0.003 6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.711 1.084 5.802 1.00 0.00 H new ATOM 142 N VAL A 13 3.114 4.047 8.600 1.00 0.00 N ATOM 143 CA VAL A 13 1.896 4.109 9.399 1.00 0.00 C ATOM 144 C VAL A 13 0.879 5.059 8.778 1.00 0.00 C ATOM 145 O VAL A 13 1.186 5.782 7.831 1.00 0.00 O ATOM 146 CB VAL A 13 2.193 4.563 10.841 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.138 3.587 11.525 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.770 5.970 10.847 1.00 0.00 C ATOM 0 H VAL A 13 3.366 4.925 8.146 1.00 0.00 H new ATOM 0 HA VAL A 13 1.481 3.101 9.422 1.00 0.00 H new ATOM 0 HB VAL A 13 1.257 4.576 11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.336 3.925 12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.681 2.598 11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.075 3.538 10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.974 6.275 11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.696 5.986 10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.054 6.659 10.399 1.00 0.00 H new ATOM 158 N GLY A 14 -0.336 5.053 9.318 1.00 0.00 N ATOM 159 CA GLY A 14 -1.381 5.919 8.805 1.00 0.00 C ATOM 160 C GLY A 14 -1.866 5.492 7.434 1.00 0.00 C ATOM 161 O GLY A 14 -2.390 6.304 6.671 1.00 0.00 O ATOM 0 H GLY A 14 -0.615 4.463 10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.221 5.921 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.008 6.942 8.753 1.00 0.00 H new ATOM 165 N VAL A 15 -1.692 4.212 7.118 1.00 0.00 N ATOM 166 CA VAL A 15 -2.115 3.678 5.829 1.00 0.00 C ATOM 167 C VAL A 15 -3.617 3.846 5.632 1.00 0.00 C ATOM 168 O VAL A 15 -4.418 3.232 6.337 1.00 0.00 O ATOM 169 CB VAL A 15 -1.754 2.187 5.694 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.172 1.658 4.331 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.264 1.977 5.922 1.00 0.00 C ATOM 0 H VAL A 15 -1.261 3.526 7.738 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.585 4.243 5.062 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.298 1.629 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.909 0.603 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.249 1.773 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.658 2.218 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.026 0.918 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.301 2.546 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.002 2.316 6.923 1.00 0.00 H new ATOM 181 N GLN A 16 -3.993 4.680 4.668 1.00 0.00 N ATOM 182 CA GLN A 16 -5.400 4.929 4.378 1.00 0.00 C ATOM 183 C GLN A 16 -5.728 4.576 2.931 1.00 0.00 C ATOM 184 O GLN A 16 -4.835 4.288 2.134 1.00 0.00 O ATOM 185 CB GLN A 16 -5.748 6.393 4.650 1.00 0.00 C ATOM 186 CG GLN A 16 -4.709 7.373 4.127 1.00 0.00 C ATOM 187 CD GLN A 16 -5.003 8.804 4.529 1.00 0.00 C ATOM 188 OE1 GLN A 16 -5.837 9.474 3.919 1.00 0.00 O ATOM 189 NE2 GLN A 16 -4.319 9.282 5.562 1.00 0.00 N ATOM 0 H GLN A 16 -3.343 5.195 4.074 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.997 4.294 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.711 6.620 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.863 6.537 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.726 7.089 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.667 7.306 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.637 8.692 6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.476 10.239 5.878 1.00 0.00 H new ATOM 198 N ALA A 17 -7.014 4.601 2.598 1.00 0.00 N ATOM 199 CA ALA A 17 -7.460 4.286 1.246 1.00 0.00 C ATOM 200 C ALA A 17 -8.611 5.192 0.822 1.00 0.00 C ATOM 201 O ALA A 17 -9.738 5.040 1.292 1.00 0.00 O ATOM 202 CB ALA A 17 -7.874 2.825 1.154 1.00 0.00 C ATOM 0 H ALA A 17 -7.766 4.836 3.246 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.626 4.460 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.205 2.604 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.025 2.190 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.690 2.633 1.851 1.00 0.00 H new ATOM 208 N SER A 18 -8.318 6.135 -0.068 1.00 0.00 N ATOM 209 CA SER A 18 -9.329 7.069 -0.552 1.00 0.00 C ATOM 210 C SER A 18 -9.996 6.540 -1.818 1.00 0.00 C ATOM 211 O SER A 18 -9.333 6.299 -2.827 1.00 0.00 O ATOM 212 CB SER A 18 -8.700 8.436 -0.826 1.00 0.00 C ATOM 213 OG SER A 18 -9.638 9.479 -0.625 1.00 0.00 O ATOM 0 H SER A 18 -7.390 6.273 -0.468 1.00 0.00 H new ATOM 0 HA SER A 18 -10.090 7.175 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.842 8.583 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.328 8.470 -1.850 1.00 0.00 H new ATOM 0 HG SER A 18 -9.211 10.342 -0.805 1.00 0.00 H new ATOM 219 N ILE A 19 -11.311 6.361 -1.755 1.00 0.00 N ATOM 220 CA ILE A 19 -12.068 5.862 -2.896 1.00 0.00 C ATOM 221 C ILE A 19 -12.513 7.004 -3.803 1.00 0.00 C ATOM 222 O ILE A 19 -13.592 7.571 -3.623 1.00 0.00 O ATOM 223 CB ILE A 19 -13.308 5.067 -2.445 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.900 3.945 -1.488 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.043 4.502 -3.651 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.678 3.178 -1.942 1.00 0.00 C ATOM 0 H ILE A 19 -11.874 6.554 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.403 5.199 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.982 5.742 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.707 4.371 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.734 3.252 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.917 3.943 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.362 5.319 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.378 3.839 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.447 2.399 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.874 2.723 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.831 3.859 -2.025 1.00 0.00 H new ATOM 238 N LEU A 20 -11.677 7.337 -4.780 1.00 0.00 N ATOM 239 CA LEU A 20 -11.984 8.411 -5.718 1.00 0.00 C ATOM 240 C LEU A 20 -12.903 7.916 -6.830 1.00 0.00 C ATOM 241 O LEU A 20 -13.828 8.617 -7.243 1.00 0.00 O ATOM 242 CB LEU A 20 -10.695 8.974 -6.319 1.00 0.00 C ATOM 243 CG LEU A 20 -9.585 9.317 -5.325 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.288 9.622 -6.058 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.996 10.494 -4.452 1.00 0.00 C ATOM 0 H LEU A 20 -10.781 6.878 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.498 9.202 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.304 8.250 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.943 9.874 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.420 8.453 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.509 9.864 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.985 8.751 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.438 10.470 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.194 10.724 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.189 11.363 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.900 10.239 -3.899 1.00 0.00 H new ATOM 257 N SER A 21 -12.644 6.704 -7.310 1.00 0.00 N ATOM 258 CA SER A 21 -13.447 6.115 -8.375 1.00 0.00 C ATOM 259 C SER A 21 -13.455 4.593 -8.273 1.00 0.00 C ATOM 260 O SER A 21 -12.725 4.010 -7.471 1.00 0.00 O ATOM 261 CB SER A 21 -12.911 6.543 -9.743 1.00 0.00 C ATOM 262 OG SER A 21 -13.952 6.611 -10.701 1.00 0.00 O ATOM 0 H SER A 21 -11.884 6.110 -6.978 1.00 0.00 H new ATOM 0 HA SER A 21 -14.470 6.474 -8.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.426 7.516 -9.659 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.151 5.836 -10.077 1.00 0.00 H new ATOM 0 HG SER A 21 -13.583 6.888 -11.566 1.00 0.00 H new ATOM 268 N HIS A 22 -14.285 3.955 -9.091 1.00 0.00 N ATOM 269 CA HIS A 22 -14.389 2.500 -9.094 1.00 0.00 C ATOM 270 C HIS A 22 -13.048 1.861 -9.445 1.00 0.00 C ATOM 271 O HIS A 22 -12.756 0.740 -9.029 1.00 0.00 O ATOM 272 CB HIS A 22 -15.460 2.046 -10.086 1.00 0.00 C ATOM 273 CG HIS A 22 -15.084 2.271 -11.518 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.026 3.523 -12.093 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.743 1.395 -12.492 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.669 3.408 -13.359 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.490 2.126 -13.627 1.00 0.00 N ATOM 0 H HIS A 22 -14.896 4.423 -9.761 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.674 2.178 -8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.658 0.985 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.388 2.577 -9.875 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.681 0.321 -12.395 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.544 4.223 -14.057 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.210 1.742 -14.530 1.00 0.00 H new ATOM 286 N ASP A 23 -12.239 2.581 -10.214 1.00 0.00 N ATOM 287 CA ASP A 23 -10.929 2.085 -10.621 1.00 0.00 C ATOM 288 C ASP A 23 -9.828 3.058 -10.212 1.00 0.00 C ATOM 289 O ASP A 23 -8.771 3.117 -10.841 1.00 0.00 O ATOM 290 CB ASP A 23 -10.893 1.860 -12.134 1.00 0.00 C ATOM 291 CG ASP A 23 -10.658 3.145 -12.904 1.00 0.00 C ATOM 292 OD1 ASP A 23 -11.378 4.132 -12.645 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.754 3.163 -13.766 1.00 0.00 O ATOM 0 H ASP A 23 -12.467 3.510 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.754 1.135 -10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.105 1.147 -12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.835 1.414 -12.455 1.00 0.00 H new ATOM 298 N THR A 24 -10.083 3.822 -9.155 1.00 0.00 N ATOM 299 CA THR A 24 -9.115 4.794 -8.663 1.00 0.00 C ATOM 300 C THR A 24 -9.091 4.824 -7.139 1.00 0.00 C ATOM 301 O THR A 24 -10.133 4.955 -6.496 1.00 0.00 O ATOM 302 CB THR A 24 -9.423 6.209 -9.188 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.379 6.221 -10.620 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.429 7.220 -8.637 1.00 0.00 C ATOM 0 H THR A 24 -10.952 3.786 -8.623 1.00 0.00 H new ATOM 0 HA THR A 24 -8.138 4.482 -9.033 1.00 0.00 H new ATOM 0 HB THR A 24 -10.422 6.487 -8.853 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.577 7.124 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.667 8.212 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.486 7.230 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.421 6.944 -8.945 1.00 0.00 H new ATOM 312 N ILE A 25 -7.897 4.704 -6.568 1.00 0.00 N ATOM 313 CA ILE A 25 -7.739 4.719 -5.119 1.00 0.00 C ATOM 314 C ILE A 25 -6.430 5.390 -4.717 1.00 0.00 C ATOM 315 O ILE A 25 -5.382 5.136 -5.311 1.00 0.00 O ATOM 316 CB ILE A 25 -7.774 3.295 -4.534 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.110 2.621 -4.856 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.544 3.334 -3.031 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.240 1.230 -4.276 1.00 0.00 C ATOM 0 H ILE A 25 -7.025 4.595 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.576 5.289 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.974 2.711 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.922 3.242 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.229 2.567 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.572 2.320 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.571 3.779 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.324 3.931 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.211 0.813 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.450 0.594 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.153 1.279 -3.191 1.00 0.00 H new ATOM 331 N ARG A 26 -6.498 6.246 -3.702 1.00 0.00 N ATOM 332 CA ARG A 26 -5.318 6.953 -3.219 1.00 0.00 C ATOM 333 C ARG A 26 -4.813 6.340 -1.916 1.00 0.00 C ATOM 334 O ARG A 26 -5.586 6.116 -0.984 1.00 0.00 O ATOM 335 CB ARG A 26 -5.635 8.435 -3.009 1.00 0.00 C ATOM 336 CG ARG A 26 -4.417 9.338 -3.107 1.00 0.00 C ATOM 337 CD ARG A 26 -4.774 10.788 -2.819 1.00 0.00 C ATOM 338 NE ARG A 26 -5.153 10.991 -1.423 1.00 0.00 N ATOM 339 CZ ARG A 26 -5.875 12.023 -1.000 1.00 0.00 C ATOM 340 NH1 ARG A 26 -6.294 12.940 -1.861 1.00 0.00 N ATOM 341 NH2 ARG A 26 -6.179 12.139 0.286 1.00 0.00 N ATOM 0 H ARG A 26 -7.357 6.466 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.536 6.859 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.370 8.749 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.095 8.564 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.656 9.003 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.984 9.260 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.923 11.426 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.596 11.095 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.847 10.303 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.062 12.854 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.848 13.731 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.858 11.435 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.733 12.932 0.610 1.00 0.00 H new ATOM 355 N ILE A 27 -3.513 6.072 -1.859 1.00 0.00 N ATOM 356 CA ILE A 27 -2.905 5.486 -0.671 1.00 0.00 C ATOM 357 C ILE A 27 -1.816 6.392 -0.107 1.00 0.00 C ATOM 358 O ILE A 27 -0.723 6.490 -0.665 1.00 0.00 O ATOM 359 CB ILE A 27 -2.301 4.101 -0.972 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.351 3.190 -1.610 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.752 3.475 0.301 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.537 2.913 -0.713 1.00 0.00 C ATOM 0 H ILE A 27 -2.860 6.251 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.699 5.374 0.067 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.479 4.225 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.704 3.648 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.883 2.244 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.329 2.497 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.976 4.118 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.557 3.361 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.240 2.261 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.196 2.426 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.030 3.852 -0.462 1.00 0.00 H new ATOM 374 N THR A 28 -2.121 7.053 1.006 1.00 0.00 N ATOM 375 CA THR A 28 -1.169 7.950 1.647 1.00 0.00 C ATOM 376 C THR A 28 -0.762 7.430 3.021 1.00 0.00 C ATOM 377 O THR A 28 -1.613 7.079 3.839 1.00 0.00 O ATOM 378 CB THR A 28 -1.749 9.369 1.799 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.926 9.333 2.613 1.00 0.00 O ATOM 380 CG2 THR A 28 -2.085 9.965 0.440 1.00 0.00 C ATOM 0 H THR A 28 -3.021 6.983 1.482 1.00 0.00 H new ATOM 0 HA THR A 28 -0.291 7.991 1.003 1.00 0.00 H new ATOM 0 HB THR A 28 -0.996 9.996 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.287 10.239 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.493 10.967 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.181 10.019 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.822 9.337 -0.061 1.00 0.00 H new ATOM 388 N TRP A 29 0.542 7.384 3.268 1.00 0.00 N ATOM 389 CA TRP A 29 1.061 6.907 4.545 1.00 0.00 C ATOM 390 C TRP A 29 2.120 7.858 5.092 1.00 0.00 C ATOM 391 O TRP A 29 2.453 8.860 4.460 1.00 0.00 O ATOM 392 CB TRP A 29 1.651 5.504 4.387 1.00 0.00 C ATOM 393 CG TRP A 29 2.770 5.439 3.392 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.093 5.680 3.629 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.662 5.113 2.002 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.814 5.524 2.471 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.960 5.175 1.458 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.597 4.772 1.165 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.218 4.910 0.116 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.854 4.510 -0.168 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.156 4.579 -0.681 1.00 0.00 C ATOM 0 H TRP A 29 1.259 7.671 2.602 1.00 0.00 H new ATOM 0 HA TRP A 29 0.233 6.868 5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.015 5.159 5.355 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.861 4.818 4.080 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.511 5.953 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.822 5.648 2.380 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.590 4.714 1.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.221 4.964 -0.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.038 4.248 -0.825 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.325 4.367 -1.726 1.00 0.00 H new ATOM 412 N ALA A 30 2.645 7.538 6.270 1.00 0.00 N ATOM 413 CA ALA A 30 3.668 8.363 6.900 1.00 0.00 C ATOM 414 C ALA A 30 4.829 7.511 7.402 1.00 0.00 C ATOM 415 O ALA A 30 4.625 6.423 7.940 1.00 0.00 O ATOM 416 CB ALA A 30 3.067 9.166 8.044 1.00 0.00 C ATOM 0 H ALA A 30 2.379 6.713 6.807 1.00 0.00 H new ATOM 0 HA ALA A 30 4.056 9.053 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.842 9.778 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.277 9.811 7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.651 8.486 8.787 1.00 0.00 H new ATOM 422 N ASP A 31 6.046 8.013 7.221 1.00 0.00 N ATOM 423 CA ASP A 31 7.240 7.298 7.656 1.00 0.00 C ATOM 424 C ASP A 31 7.984 8.085 8.729 1.00 0.00 C ATOM 425 O ASP A 31 8.844 8.910 8.424 1.00 0.00 O ATOM 426 CB ASP A 31 8.164 7.034 6.466 1.00 0.00 C ATOM 427 CG ASP A 31 9.256 6.034 6.792 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.994 5.106 7.586 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.373 6.179 6.253 1.00 0.00 O ATOM 0 H ASP A 31 6.231 8.912 6.776 1.00 0.00 H new ATOM 0 HA ASP A 31 6.928 6.345 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.575 6.664 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.618 7.972 6.147 1.00 0.00 H new ATOM 434 N ASN A 32 7.646 7.826 9.988 1.00 0.00 N ATOM 435 CA ASN A 32 8.281 8.512 11.108 1.00 0.00 C ATOM 436 C ASN A 32 9.800 8.502 10.960 1.00 0.00 C ATOM 437 O ASN A 32 10.472 9.481 11.286 1.00 0.00 O ATOM 438 CB ASN A 32 7.882 7.854 12.430 1.00 0.00 C ATOM 439 CG ASN A 32 6.456 8.181 12.831 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.091 9.348 12.970 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.642 7.148 13.018 1.00 0.00 N ATOM 0 H ASN A 32 6.936 7.146 10.259 1.00 0.00 H new ATOM 0 HA ASN A 32 7.940 9.547 11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.993 6.773 12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.562 8.182 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.671 7.306 13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.988 6.197 12.892 1.00 0.00 H new ATOM 448 N SER A 33 10.334 7.389 10.467 1.00 0.00 N ATOM 449 CA SER A 33 11.773 7.250 10.280 1.00 0.00 C ATOM 450 C SER A 33 12.379 8.545 9.748 1.00 0.00 C ATOM 451 O SER A 33 13.437 8.982 10.204 1.00 0.00 O ATOM 452 CB SER A 33 12.074 6.100 9.317 1.00 0.00 C ATOM 453 OG SER A 33 11.917 4.845 9.956 1.00 0.00 O ATOM 0 H SER A 33 9.792 6.571 10.190 1.00 0.00 H new ATOM 0 HA SER A 33 12.221 7.030 11.249 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.408 6.159 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.092 6.195 8.940 1.00 0.00 H new ATOM 0 HG SER A 33 12.113 4.127 9.319 1.00 0.00 H new ATOM 459 N LEU A 34 11.702 9.155 8.782 1.00 0.00 N ATOM 460 CA LEU A 34 12.172 10.402 8.187 1.00 0.00 C ATOM 461 C LEU A 34 12.456 11.445 9.262 1.00 0.00 C ATOM 462 O LEU A 34 11.894 11.413 10.357 1.00 0.00 O ATOM 463 CB LEU A 34 11.137 10.940 7.198 1.00 0.00 C ATOM 464 CG LEU A 34 11.081 10.243 5.838 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.771 10.555 5.132 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.265 10.659 4.978 1.00 0.00 C ATOM 0 H LEU A 34 10.826 8.807 8.394 1.00 0.00 H new ATOM 0 HA LEU A 34 13.100 10.195 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.152 10.870 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.338 11.999 7.033 1.00 0.00 H new ATOM 0 HG LEU A 34 11.135 9.166 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.749 10.051 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.937 10.207 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.686 11.631 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.210 10.154 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.242 11.738 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.193 10.384 5.479 1.00 0.00 H new ATOM 478 N PRO A 35 13.348 12.395 8.945 1.00 0.00 N ATOM 479 CA PRO A 35 13.725 13.468 9.869 1.00 0.00 C ATOM 480 C PRO A 35 12.594 14.467 10.091 1.00 0.00 C ATOM 481 O PRO A 35 11.477 14.271 9.612 1.00 0.00 O ATOM 482 CB PRO A 35 14.905 14.144 9.166 1.00 0.00 C ATOM 483 CG PRO A 35 14.702 13.852 7.719 1.00 0.00 C ATOM 484 CD PRO A 35 14.057 12.495 7.658 1.00 0.00 C ATOM 0 HA PRO A 35 13.965 13.085 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.916 15.217 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.857 13.748 9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.068 14.607 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.651 13.858 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.372 12.414 6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.797 11.703 7.545 1.00 0.00 H new ATOM 492 N LYS A 36 12.891 15.538 10.818 1.00 0.00 N ATOM 493 CA LYS A 36 11.899 16.569 11.102 1.00 0.00 C ATOM 494 C LYS A 36 10.965 16.768 9.913 1.00 0.00 C ATOM 495 O LYS A 36 9.743 16.758 10.063 1.00 0.00 O ATOM 496 CB LYS A 36 12.592 17.890 11.446 1.00 0.00 C ATOM 497 CG LYS A 36 11.642 18.959 11.959 1.00 0.00 C ATOM 498 CD LYS A 36 12.250 20.347 11.845 1.00 0.00 C ATOM 499 CE LYS A 36 11.509 21.353 12.711 1.00 0.00 C ATOM 500 NZ LYS A 36 12.397 22.462 13.157 1.00 0.00 N ATOM 0 H LYS A 36 13.811 15.715 11.222 1.00 0.00 H new ATOM 0 HA LYS A 36 11.306 16.242 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.357 17.704 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.103 18.265 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.711 18.921 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.391 18.755 13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.298 20.312 12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.224 20.672 10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.668 21.764 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.095 20.846 13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.854 23.126 13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.186 22.073 13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.772 22.962 12.326 1.00 0.00 H new ATOM 514 N HIS A 37 11.547 16.945 8.732 1.00 0.00 N ATOM 515 CA HIS A 37 10.766 17.144 7.516 1.00 0.00 C ATOM 516 C HIS A 37 10.603 15.832 6.755 1.00 0.00 C ATOM 517 O HIS A 37 11.200 14.817 7.114 1.00 0.00 O ATOM 518 CB HIS A 37 11.433 18.187 6.620 1.00 0.00 C ATOM 519 CG HIS A 37 12.894 17.942 6.401 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.381 16.829 5.747 1.00 0.00 N ATOM 521 CD2 HIS A 37 13.977 18.674 6.751 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.700 16.887 5.706 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.087 17.997 6.308 1.00 0.00 N ATOM 0 H HIS A 37 12.557 16.955 8.591 1.00 0.00 H new ATOM 0 HA HIS A 37 9.778 17.503 7.803 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.927 18.202 5.655 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.301 19.174 7.064 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.970 19.615 7.280 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.351 16.152 5.257 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.053 18.302 6.425 1.00 0.00 H new ATOM 532 N GLN A 38 9.790 15.860 5.703 1.00 0.00 N ATOM 533 CA GLN A 38 9.548 14.672 4.893 1.00 0.00 C ATOM 534 C GLN A 38 10.325 14.739 3.583 1.00 0.00 C ATOM 535 O GLN A 38 9.763 15.040 2.529 1.00 0.00 O ATOM 536 CB GLN A 38 8.053 14.521 4.606 1.00 0.00 C ATOM 537 CG GLN A 38 7.313 13.701 5.651 1.00 0.00 C ATOM 538 CD GLN A 38 7.614 14.152 7.067 1.00 0.00 C ATOM 539 OE1 GLN A 38 7.327 15.289 7.442 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.194 13.261 7.862 1.00 0.00 N ATOM 0 H GLN A 38 9.288 16.692 5.392 1.00 0.00 H new ATOM 0 HA GLN A 38 9.893 13.804 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.601 15.511 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.924 14.052 3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.240 13.773 5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.585 12.651 5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.414 12.330 7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.419 13.508 8.826 1.00 0.00 H new ATOM 549 N LYS A 39 11.622 14.458 3.654 1.00 0.00 N ATOM 550 CA LYS A 39 12.478 14.486 2.474 1.00 0.00 C ATOM 551 C LYS A 39 13.181 13.146 2.281 1.00 0.00 C ATOM 552 O LYS A 39 14.256 12.914 2.833 1.00 0.00 O ATOM 553 CB LYS A 39 13.514 15.605 2.596 1.00 0.00 C ATOM 554 CG LYS A 39 13.929 16.198 1.261 1.00 0.00 C ATOM 555 CD LYS A 39 14.707 15.196 0.424 1.00 0.00 C ATOM 556 CE LYS A 39 13.787 14.395 -0.484 1.00 0.00 C ATOM 557 NZ LYS A 39 13.230 15.229 -1.585 1.00 0.00 N ATOM 0 H LYS A 39 12.104 14.208 4.518 1.00 0.00 H new ATOM 0 HA LYS A 39 11.849 14.676 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.108 16.397 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.398 15.217 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.043 16.521 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.540 17.085 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.448 15.721 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.253 14.518 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.337 13.555 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.970 13.977 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.915 14.613 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.422 15.779 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.964 15.878 -1.934 1.00 0.00 H new ATOM 571 N ILE A 40 12.567 12.269 1.493 1.00 0.00 N ATOM 572 CA ILE A 40 13.136 10.954 1.225 1.00 0.00 C ATOM 573 C ILE A 40 14.451 11.070 0.462 1.00 0.00 C ATOM 574 O ILE A 40 14.477 10.998 -0.768 1.00 0.00 O ATOM 575 CB ILE A 40 12.163 10.073 0.420 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.826 9.950 1.153 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.770 8.699 0.178 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.762 9.232 0.353 1.00 0.00 C ATOM 0 H ILE A 40 11.676 12.446 1.029 1.00 0.00 H new ATOM 0 HA ILE A 40 13.320 10.486 2.192 1.00 0.00 H new ATOM 0 HB ILE A 40 11.983 10.544 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.983 9.419 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.467 10.947 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.071 8.088 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.699 8.805 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.976 8.219 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.841 9.182 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.576 9.774 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.100 8.222 0.121 1.00 0.00 H new ATOM 590 N THR A 41 15.544 11.247 1.198 1.00 0.00 N ATOM 591 CA THR A 41 16.863 11.371 0.591 1.00 0.00 C ATOM 592 C THR A 41 17.778 10.233 1.028 1.00 0.00 C ATOM 593 O THR A 41 18.697 10.433 1.823 1.00 0.00 O ATOM 594 CB THR A 41 17.523 12.715 0.953 1.00 0.00 C ATOM 595 OG1 THR A 41 18.840 12.780 0.394 1.00 0.00 O ATOM 596 CG2 THR A 41 17.599 12.891 2.462 1.00 0.00 C ATOM 0 H THR A 41 15.541 11.308 2.216 1.00 0.00 H new ATOM 0 HA THR A 41 16.721 11.324 -0.489 1.00 0.00 H new ATOM 0 HB THR A 41 16.913 13.518 0.539 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.252 13.638 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.069 13.847 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.593 12.870 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 41 18.190 12.083 2.893 1.00 0.00 H new ATOM 604 N ASP A 42 17.523 9.040 0.503 1.00 0.00 N ATOM 605 CA ASP A 42 18.327 7.870 0.838 1.00 0.00 C ATOM 606 C ASP A 42 18.059 6.730 -0.139 1.00 0.00 C ATOM 607 O ASP A 42 17.254 6.865 -1.061 1.00 0.00 O ATOM 608 CB ASP A 42 18.030 7.413 2.267 1.00 0.00 C ATOM 609 CG ASP A 42 19.169 6.612 2.867 1.00 0.00 C ATOM 610 OD1 ASP A 42 20.325 6.812 2.439 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.904 5.783 3.763 1.00 0.00 O ATOM 0 H ASP A 42 16.766 8.857 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 42 19.378 8.149 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.835 8.285 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.123 6.809 2.271 1.00 0.00 H new ATOM 616 N SER A 43 18.740 5.607 0.068 1.00 0.00 N ATOM 617 CA SER A 43 18.579 4.444 -0.797 1.00 0.00 C ATOM 618 C SER A 43 17.513 3.502 -0.249 1.00 0.00 C ATOM 619 O SER A 43 17.821 2.412 0.235 1.00 0.00 O ATOM 620 CB SER A 43 19.909 3.701 -0.940 1.00 0.00 C ATOM 621 OG SER A 43 19.787 2.603 -1.828 1.00 0.00 O ATOM 0 H SER A 43 19.409 5.478 0.827 1.00 0.00 H new ATOM 0 HA SER A 43 18.259 4.794 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.674 4.386 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.239 3.348 0.037 1.00 0.00 H new ATOM 0 HG SER A 43 20.651 2.146 -1.903 1.00 0.00 H new ATOM 627 N ARG A 44 16.257 3.929 -0.328 1.00 0.00 N ATOM 628 CA ARG A 44 15.144 3.125 0.162 1.00 0.00 C ATOM 629 C ARG A 44 13.957 3.200 -0.795 1.00 0.00 C ATOM 630 O ARG A 44 13.521 4.287 -1.174 1.00 0.00 O ATOM 631 CB ARG A 44 14.721 3.595 1.555 1.00 0.00 C ATOM 632 CG ARG A 44 14.294 5.054 1.602 1.00 0.00 C ATOM 633 CD ARG A 44 14.019 5.508 3.026 1.00 0.00 C ATOM 634 NE ARG A 44 14.298 6.930 3.211 1.00 0.00 N ATOM 635 CZ ARG A 44 14.536 7.485 4.394 1.00 0.00 C ATOM 636 NH1 ARG A 44 14.530 6.741 5.492 1.00 0.00 N ATOM 637 NH2 ARG A 44 14.781 8.786 4.480 1.00 0.00 N ATOM 0 H ARG A 44 15.985 4.827 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 44 15.476 2.088 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.897 2.973 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.550 3.445 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.074 5.677 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.399 5.192 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.977 5.308 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.630 4.926 3.716 1.00 0.00 H new ATOM 0 HE ARG A 44 14.311 7.530 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.342 5.740 5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.713 7.169 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.787 9.361 3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.964 9.212 5.389 1.00 0.00 H new ATOM 651 N TYR A 45 13.440 2.039 -1.180 1.00 0.00 N ATOM 652 CA TYR A 45 12.306 1.972 -2.094 1.00 0.00 C ATOM 653 C TYR A 45 11.068 1.430 -1.387 1.00 0.00 C ATOM 654 O TYR A 45 11.161 0.540 -0.542 1.00 0.00 O ATOM 655 CB TYR A 45 12.646 1.093 -3.298 1.00 0.00 C ATOM 656 CG TYR A 45 12.619 -0.388 -2.994 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.599 -0.972 -2.201 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.614 -1.203 -3.500 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.579 -2.324 -1.920 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.585 -2.556 -3.224 1.00 0.00 C ATOM 661 CZ TYR A 45 12.570 -3.112 -2.434 1.00 0.00 C ATOM 662 OH TYR A 45 12.546 -4.460 -2.157 1.00 0.00 O ATOM 0 H TYR A 45 13.788 1.131 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 45 12.091 2.983 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.940 1.303 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.636 1.362 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.390 -0.358 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.842 -0.771 -4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.349 -2.762 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.796 -3.175 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 45 11.770 -4.870 -2.593 1.00 0.00 H new ATOM 672 N TYR A 46 9.908 1.973 -1.740 1.00 0.00 N ATOM 673 CA TYR A 46 8.650 1.546 -1.140 1.00 0.00 C ATOM 674 C TYR A 46 7.923 0.555 -2.044 1.00 0.00 C ATOM 675 O TYR A 46 7.724 0.810 -3.232 1.00 0.00 O ATOM 676 CB TYR A 46 7.755 2.755 -0.866 1.00 0.00 C ATOM 677 CG TYR A 46 8.108 3.496 0.404 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.914 2.911 1.649 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.636 4.780 0.358 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.235 3.584 2.812 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.962 5.460 1.516 1.00 0.00 C ATOM 682 CZ TYR A 46 8.759 4.858 2.740 1.00 0.00 C ATOM 683 OH TYR A 46 9.081 5.532 3.896 1.00 0.00 O ATOM 0 H TYR A 46 9.813 2.710 -2.439 1.00 0.00 H new ATOM 0 HA TYR A 46 8.877 1.050 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.821 3.443 -1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.719 2.423 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.505 1.913 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.794 5.255 -0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.077 3.115 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.373 6.457 1.463 1.00 0.00 H new ATOM 0 HH TYR A 46 9.837 5.088 4.334 1.00 0.00 H new ATOM 693 N THR A 47 7.527 -0.578 -1.472 1.00 0.00 N ATOM 694 CA THR A 47 6.823 -1.609 -2.225 1.00 0.00 C ATOM 695 C THR A 47 5.378 -1.739 -1.758 1.00 0.00 C ATOM 696 O THR A 47 5.114 -2.136 -0.623 1.00 0.00 O ATOM 697 CB THR A 47 7.519 -2.976 -2.091 1.00 0.00 C ATOM 698 OG1 THR A 47 8.911 -2.850 -2.400 1.00 0.00 O ATOM 699 CG2 THR A 47 6.880 -4.001 -3.017 1.00 0.00 C ATOM 0 H THR A 47 7.682 -0.805 -0.490 1.00 0.00 H new ATOM 0 HA THR A 47 6.838 -1.303 -3.271 1.00 0.00 H new ATOM 0 HB THR A 47 7.405 -3.317 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.015 -2.406 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.388 -4.959 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.827 -4.117 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.967 -3.663 -4.049 1.00 0.00 H new ATOM 707 N VAL A 48 4.443 -1.403 -2.641 1.00 0.00 N ATOM 708 CA VAL A 48 3.023 -1.484 -2.320 1.00 0.00 C ATOM 709 C VAL A 48 2.391 -2.729 -2.934 1.00 0.00 C ATOM 710 O VAL A 48 2.478 -2.950 -4.142 1.00 0.00 O ATOM 711 CB VAL A 48 2.263 -0.239 -2.815 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.777 -0.369 -2.521 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.833 1.020 -2.178 1.00 0.00 C ATOM 0 H VAL A 48 4.644 -1.072 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 48 2.947 -1.539 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 48 2.390 -0.162 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.256 0.520 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.381 -1.249 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.626 -0.471 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.285 1.890 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.738 0.954 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.885 1.118 -2.444 1.00 0.00 H new ATOM 723 N ARG A 49 1.754 -3.538 -2.094 1.00 0.00 N ATOM 724 CA ARG A 49 1.108 -4.761 -2.555 1.00 0.00 C ATOM 725 C ARG A 49 -0.410 -4.650 -2.441 1.00 0.00 C ATOM 726 O ARG A 49 -0.928 -3.978 -1.549 1.00 0.00 O ATOM 727 CB ARG A 49 1.603 -5.961 -1.745 1.00 0.00 C ATOM 728 CG ARG A 49 1.123 -5.963 -0.303 1.00 0.00 C ATOM 729 CD ARG A 49 2.106 -6.678 0.610 1.00 0.00 C ATOM 730 NE ARG A 49 1.863 -8.117 0.657 1.00 0.00 N ATOM 731 CZ ARG A 49 0.892 -8.675 1.371 1.00 0.00 C ATOM 732 NH1 ARG A 49 0.077 -7.919 2.094 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.733 -9.993 1.363 1.00 0.00 N ATOM 0 H ARG A 49 1.671 -3.369 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 49 1.368 -4.906 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.271 -6.878 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.693 -5.971 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.988 -4.937 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.149 -6.449 -0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.123 -6.493 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.032 -6.265 1.616 1.00 0.00 H new ATOM 0 HE ARG A 49 2.472 -8.727 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.195 -6.906 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.668 -8.351 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.357 -10.579 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.013 -10.420 1.912 1.00 0.00 H new ATOM 747 N TRP A 50 -1.116 -5.311 -3.351 1.00 0.00 N ATOM 748 CA TRP A 50 -2.574 -5.286 -3.353 1.00 0.00 C ATOM 749 C TRP A 50 -3.140 -6.541 -4.009 1.00 0.00 C ATOM 750 O TRP A 50 -2.565 -7.068 -4.962 1.00 0.00 O ATOM 751 CB TRP A 50 -3.082 -4.041 -4.083 1.00 0.00 C ATOM 752 CG TRP A 50 -2.827 -4.073 -5.560 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.670 -4.541 -6.527 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.650 -3.620 -6.236 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.087 -4.407 -7.764 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.848 -3.843 -7.613 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.448 -3.045 -5.813 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.888 -3.512 -8.566 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.503 -2.718 -6.760 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.279 -2.951 -8.124 1.00 0.00 C ATOM 0 H TRP A 50 -0.703 -5.871 -4.097 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.913 -5.256 -2.318 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.153 -3.938 -3.909 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.603 -3.159 -3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.651 -4.956 -6.346 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.509 -4.683 -8.651 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.266 -2.860 -4.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.059 -3.692 -9.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.436 -2.275 -6.444 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.042 -2.683 -8.840 1.00 0.00 H new ATOM 771 N LYS A 51 -4.269 -7.015 -3.493 1.00 0.00 N ATOM 772 CA LYS A 51 -4.913 -8.208 -4.030 1.00 0.00 C ATOM 773 C LYS A 51 -6.425 -8.142 -3.838 1.00 0.00 C ATOM 774 O LYS A 51 -6.943 -7.217 -3.211 1.00 0.00 O ATOM 775 CB LYS A 51 -4.356 -9.462 -3.352 1.00 0.00 C ATOM 776 CG LYS A 51 -4.680 -9.548 -1.871 1.00 0.00 C ATOM 777 CD LYS A 51 -6.075 -10.102 -1.636 1.00 0.00 C ATOM 778 CE LYS A 51 -6.217 -10.681 -0.237 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.553 -12.009 -0.115 1.00 0.00 N ATOM 0 H LYS A 51 -4.757 -6.591 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.702 -8.256 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.754 -10.344 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.274 -9.484 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.947 -10.183 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.601 -8.558 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.811 -9.311 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.290 -10.875 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.784 -9.991 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.274 -10.780 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.101 -12.613 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.502 -12.459 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.592 -11.883 0.262 1.00 0.00 H new ATOM 793 N THR A 52 -7.129 -9.131 -4.380 1.00 0.00 N ATOM 794 CA THR A 52 -8.581 -9.186 -4.268 1.00 0.00 C ATOM 795 C THR A 52 -9.010 -10.079 -3.109 1.00 0.00 C ATOM 796 O THR A 52 -8.728 -11.276 -3.099 1.00 0.00 O ATOM 797 CB THR A 52 -9.226 -9.705 -5.567 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.626 -10.948 -5.949 1.00 0.00 O ATOM 799 CG2 THR A 52 -9.067 -8.693 -6.692 1.00 0.00 C ATOM 0 H THR A 52 -6.717 -9.905 -4.901 1.00 0.00 H new ATOM 0 HA THR A 52 -8.922 -8.167 -4.084 1.00 0.00 H new ATOM 0 HB THR A 52 -10.290 -9.856 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.261 -11.678 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.530 -9.081 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.550 -7.757 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.007 -8.514 -6.874 1.00 0.00 H new ATOM 807 N ASN A 53 -9.695 -9.488 -2.135 1.00 0.00 N ATOM 808 CA ASN A 53 -10.164 -10.232 -0.971 1.00 0.00 C ATOM 809 C ASN A 53 -10.662 -11.616 -1.374 1.00 0.00 C ATOM 810 O ASN A 53 -10.428 -12.600 -0.672 1.00 0.00 O ATOM 811 CB ASN A 53 -11.280 -9.461 -0.264 1.00 0.00 C ATOM 812 CG ASN A 53 -11.605 -10.036 1.101 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.682 -10.593 1.313 1.00 0.00 O ATOM 814 ND2 ASN A 53 -10.671 -9.903 2.036 1.00 0.00 N ATOM 0 H ASN A 53 -9.937 -8.497 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.325 -10.354 -0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.984 -8.418 -0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.176 -9.475 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.832 -10.270 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.792 -9.434 1.816 1.00 0.00 H new ATOM 821 N ILE A 54 -11.349 -11.684 -2.509 1.00 0.00 N ATOM 822 CA ILE A 54 -11.879 -12.948 -3.007 1.00 0.00 C ATOM 823 C ILE A 54 -11.263 -13.310 -4.354 1.00 0.00 C ATOM 824 O ILE A 54 -11.122 -12.472 -5.245 1.00 0.00 O ATOM 825 CB ILE A 54 -13.411 -12.898 -3.152 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.059 -12.502 -1.823 1.00 0.00 C ATOM 827 CG2 ILE A 54 -13.942 -14.242 -3.626 1.00 0.00 C ATOM 828 CD1 ILE A 54 -13.595 -13.339 -0.652 1.00 0.00 C ATOM 0 H ILE A 54 -11.552 -10.879 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.617 -13.711 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.666 -12.145 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.840 -11.454 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.142 -12.589 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.026 -14.191 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.502 -14.487 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.679 -15.013 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.095 -13.003 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -13.838 -14.386 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.517 -13.232 -0.533 1.00 0.00 H new ATOM 840 N PRO A 55 -10.888 -14.588 -4.509 1.00 0.00 N ATOM 841 CA PRO A 55 -11.050 -15.594 -3.454 1.00 0.00 C ATOM 842 C PRO A 55 -10.109 -15.358 -2.278 1.00 0.00 C ATOM 843 O PRO A 55 -8.998 -14.857 -2.451 1.00 0.00 O ATOM 844 CB PRO A 55 -10.704 -16.907 -4.161 1.00 0.00 C ATOM 845 CG PRO A 55 -9.809 -16.509 -5.283 1.00 0.00 C ATOM 846 CD PRO A 55 -10.277 -15.150 -5.725 1.00 0.00 C ATOM 0 HA PRO A 55 -12.051 -15.576 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.206 -17.601 -3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.600 -17.407 -4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.769 -16.477 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.867 -17.227 -6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.449 -14.536 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.996 -15.218 -6.541 1.00 0.00 H new ATOM 854 N ALA A 56 -10.560 -15.722 -1.083 1.00 0.00 N ATOM 855 CA ALA A 56 -9.756 -15.552 0.121 1.00 0.00 C ATOM 856 C ALA A 56 -8.280 -15.808 -0.163 1.00 0.00 C ATOM 857 O ALA A 56 -7.415 -15.042 0.260 1.00 0.00 O ATOM 858 CB ALA A 56 -10.252 -16.479 1.222 1.00 0.00 C ATOM 0 H ALA A 56 -11.478 -16.137 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.861 -14.520 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.643 -16.342 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.292 -16.246 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.177 -17.514 0.888 1.00 0.00 H new ATOM 864 N ASN A 57 -7.999 -16.889 -0.882 1.00 0.00 N ATOM 865 CA ASN A 57 -6.627 -17.246 -1.222 1.00 0.00 C ATOM 866 C ASN A 57 -6.311 -16.877 -2.669 1.00 0.00 C ATOM 867 O ASN A 57 -6.709 -17.577 -3.601 1.00 0.00 O ATOM 868 CB ASN A 57 -6.398 -18.743 -1.004 1.00 0.00 C ATOM 869 CG ASN A 57 -7.039 -19.246 0.275 1.00 0.00 C ATOM 870 OD1 ASN A 57 -8.246 -19.106 0.474 1.00 0.00 O ATOM 871 ND2 ASN A 57 -6.232 -19.834 1.150 1.00 0.00 N ATOM 0 H ASN A 57 -8.704 -17.533 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.960 -16.684 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.802 -19.297 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.327 -18.943 -0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.606 -20.191 2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.238 -19.928 0.943 1.00 0.00 H new ATOM 878 N THR A 58 -5.593 -15.773 -2.849 1.00 0.00 N ATOM 879 CA THR A 58 -5.224 -15.311 -4.181 1.00 0.00 C ATOM 880 C THR A 58 -3.786 -14.805 -4.209 1.00 0.00 C ATOM 881 O THR A 58 -3.199 -14.513 -3.167 1.00 0.00 O ATOM 882 CB THR A 58 -6.160 -14.188 -4.665 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.855 -13.846 -6.022 1.00 0.00 O ATOM 884 CG2 THR A 58 -6.027 -12.955 -3.784 1.00 0.00 C ATOM 0 H THR A 58 -5.256 -15.182 -2.089 1.00 0.00 H new ATOM 0 HA THR A 58 -5.318 -16.167 -4.850 1.00 0.00 H new ATOM 0 HB THR A 58 -7.186 -14.550 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.456 -13.132 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.698 -12.175 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.289 -13.211 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.999 -12.593 -3.817 1.00 0.00 H new ATOM 892 N LYS A 59 -3.223 -14.703 -5.408 1.00 0.00 N ATOM 893 CA LYS A 59 -1.853 -14.230 -5.573 1.00 0.00 C ATOM 894 C LYS A 59 -1.738 -12.756 -5.199 1.00 0.00 C ATOM 895 O LYS A 59 -2.677 -11.982 -5.388 1.00 0.00 O ATOM 896 CB LYS A 59 -1.390 -14.439 -7.016 1.00 0.00 C ATOM 897 CG LYS A 59 -2.002 -13.456 -7.999 1.00 0.00 C ATOM 898 CD LYS A 59 -3.299 -13.988 -8.585 1.00 0.00 C ATOM 899 CE LYS A 59 -3.587 -13.378 -9.948 1.00 0.00 C ATOM 900 NZ LYS A 59 -4.180 -12.017 -9.832 1.00 0.00 N ATOM 0 H LYS A 59 -3.694 -14.942 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.213 -14.807 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.304 -14.352 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.641 -15.454 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.191 -12.507 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.294 -13.255 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.240 -15.073 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.123 -13.769 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.663 -13.324 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.269 -14.026 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.362 -11.635 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.074 -12.072 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.519 -11.392 -9.329 1.00 0.00 H new ATOM 914 N TYR A 60 -0.581 -12.374 -4.668 1.00 0.00 N ATOM 915 CA TYR A 60 -0.344 -10.992 -4.267 1.00 0.00 C ATOM 916 C TYR A 60 0.521 -10.268 -5.294 1.00 0.00 C ATOM 917 O TYR A 60 1.553 -10.781 -5.728 1.00 0.00 O ATOM 918 CB TYR A 60 0.328 -10.946 -2.894 1.00 0.00 C ATOM 919 CG TYR A 60 -0.650 -10.889 -1.742 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.434 -11.988 -1.416 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.789 -9.735 -0.980 1.00 0.00 C ATOM 922 CE1 TYR A 60 -2.330 -11.940 -0.365 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.681 -9.679 0.074 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.449 -10.783 0.377 1.00 0.00 C ATOM 925 OH TYR A 60 -3.339 -10.731 1.425 1.00 0.00 O ATOM 0 H TYR A 60 0.207 -13.002 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.308 -10.486 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.961 -11.826 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.982 -10.075 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.342 -12.896 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.190 -8.868 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.934 -12.803 -0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.776 -8.775 0.657 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.299 -9.846 1.844 1.00 0.00 H new ATOM 935 N LYS A 61 0.093 -9.070 -5.678 1.00 0.00 N ATOM 936 CA LYS A 61 0.827 -8.271 -6.653 1.00 0.00 C ATOM 937 C LYS A 61 1.635 -7.178 -5.961 1.00 0.00 C ATOM 938 O LYS A 61 1.224 -6.647 -4.930 1.00 0.00 O ATOM 939 CB LYS A 61 -0.139 -7.645 -7.661 1.00 0.00 C ATOM 940 CG LYS A 61 -0.453 -8.547 -8.843 1.00 0.00 C ATOM 941 CD LYS A 61 -1.032 -7.759 -10.006 1.00 0.00 C ATOM 942 CE LYS A 61 -1.275 -8.650 -11.216 1.00 0.00 C ATOM 943 NZ LYS A 61 -2.541 -9.423 -11.090 1.00 0.00 N ATOM 0 H LYS A 61 -0.759 -8.631 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 61 1.516 -8.930 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.068 -7.391 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.288 -6.712 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.455 -9.057 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.160 -9.318 -8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.969 -7.294 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.350 -6.953 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.312 -8.037 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.439 -9.339 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.527 -10.222 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.633 -9.783 -10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.348 -8.805 -11.308 1.00 0.00 H new ATOM 957 N ASN A 62 2.786 -6.845 -6.537 1.00 0.00 N ATOM 958 CA ASN A 62 3.651 -5.814 -5.977 1.00 0.00 C ATOM 959 C ASN A 62 4.170 -4.886 -7.070 1.00 0.00 C ATOM 960 O ASN A 62 4.415 -5.314 -8.198 1.00 0.00 O ATOM 961 CB ASN A 62 4.827 -6.454 -5.234 1.00 0.00 C ATOM 962 CG ASN A 62 4.472 -7.806 -4.647 1.00 0.00 C ATOM 963 OD1 ASN A 62 3.939 -7.802 -3.431 1.00 0.00 O flip ATOM 964 ND2 ASN A 62 4.676 -8.843 -5.280 1.00 0.00 N flip ATOM 0 H ASN A 62 3.141 -7.275 -7.391 1.00 0.00 H new ATOM 0 HA ASN A 62 3.063 -5.224 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.668 -6.567 -5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.154 -5.789 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.088 -8.799 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.433 -9.746 -4.872 1.00 0.00 H new ATOM 971 N ALA A 63 4.336 -3.612 -6.728 1.00 0.00 N ATOM 972 CA ALA A 63 4.829 -2.624 -7.679 1.00 0.00 C ATOM 973 C ALA A 63 6.004 -1.842 -7.101 1.00 0.00 C ATOM 974 O ALA A 63 6.422 -2.081 -5.969 1.00 0.00 O ATOM 975 CB ALA A 63 3.709 -1.675 -8.082 1.00 0.00 C ATOM 0 H ALA A 63 4.136 -3.241 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 63 5.180 -3.153 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.091 -0.942 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.901 -2.242 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.332 -1.161 -7.198 1.00 0.00 H new ATOM 981 N ASN A 64 6.532 -0.909 -7.886 1.00 0.00 N ATOM 982 CA ASN A 64 7.660 -0.094 -7.451 1.00 0.00 C ATOM 983 C ASN A 64 7.303 1.389 -7.481 1.00 0.00 C ATOM 984 O ASN A 64 6.881 1.915 -8.511 1.00 0.00 O ATOM 985 CB ASN A 64 8.878 -0.355 -8.340 1.00 0.00 C ATOM 986 CG ASN A 64 8.615 -0.016 -9.794 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.785 -0.819 -10.448 1.00 0.00 O flip ATOM 988 ND2 ASN A 64 9.153 0.957 -10.323 1.00 0.00 N flip ATOM 0 H ASN A 64 6.197 -0.699 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 64 7.902 -0.371 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.721 0.234 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.165 -1.404 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.785 1.547 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.967 1.173 -11.302 1.00 0.00 H new ATOM 995 N ALA A 65 7.476 2.058 -6.346 1.00 0.00 N ATOM 996 CA ALA A 65 7.175 3.480 -6.243 1.00 0.00 C ATOM 997 C ALA A 65 7.855 4.098 -5.026 1.00 0.00 C ATOM 998 O ALA A 65 7.562 3.736 -3.886 1.00 0.00 O ATOM 999 CB ALA A 65 5.671 3.698 -6.177 1.00 0.00 C ATOM 0 H ALA A 65 7.823 1.637 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 65 7.564 3.974 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.461 4.765 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.206 3.301 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.267 3.185 -5.304 1.00 0.00 H new ATOM 1005 N THR A 66 8.767 5.034 -5.275 1.00 0.00 N ATOM 1006 CA THR A 66 9.490 5.701 -4.200 1.00 0.00 C ATOM 1007 C THR A 66 8.821 7.018 -3.822 1.00 0.00 C ATOM 1008 O THR A 66 9.045 8.047 -4.461 1.00 0.00 O ATOM 1009 CB THR A 66 10.953 5.977 -4.594 1.00 0.00 C ATOM 1010 OG1 THR A 66 10.999 6.855 -5.724 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.678 4.681 -4.923 1.00 0.00 C ATOM 0 H THR A 66 9.022 5.347 -6.212 1.00 0.00 H new ATOM 0 HA THR A 66 9.473 5.028 -3.343 1.00 0.00 H new ATOM 0 HB THR A 66 11.451 6.449 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.372 7.596 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.709 4.901 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.667 4.026 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.178 4.186 -5.755 1.00 0.00 H new ATOM 1019 N THR A 67 7.998 6.980 -2.778 1.00 0.00 N ATOM 1020 CA THR A 67 7.295 8.170 -2.315 1.00 0.00 C ATOM 1021 C THR A 67 6.507 7.883 -1.043 1.00 0.00 C ATOM 1022 O THR A 67 6.553 6.774 -0.508 1.00 0.00 O ATOM 1023 CB THR A 67 6.334 8.709 -3.391 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.584 9.812 -2.869 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.382 7.619 -3.861 1.00 0.00 C ATOM 0 H THR A 67 7.802 6.138 -2.237 1.00 0.00 H new ATOM 0 HA THR A 67 8.054 8.924 -2.106 1.00 0.00 H new ATOM 0 HB THR A 67 6.927 9.043 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.193 10.550 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.713 8.023 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.954 6.793 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.796 7.259 -3.016 1.00 0.00 H new ATOM 1033 N LEU A 68 5.782 8.887 -0.562 1.00 0.00 N ATOM 1034 CA LEU A 68 4.982 8.742 0.649 1.00 0.00 C ATOM 1035 C LEU A 68 3.515 8.499 0.306 1.00 0.00 C ATOM 1036 O LEU A 68 2.640 8.607 1.165 1.00 0.00 O ATOM 1037 CB LEU A 68 5.113 9.990 1.523 1.00 0.00 C ATOM 1038 CG LEU A 68 6.258 9.982 2.536 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.650 11.404 2.909 1.00 0.00 C ATOM 1040 CD2 LEU A 68 5.868 9.192 3.777 1.00 0.00 C ATOM 0 H LEU A 68 5.732 9.810 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 68 5.355 7.879 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.237 10.855 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.177 10.131 2.064 1.00 0.00 H new ATOM 0 HG LEU A 68 7.120 9.497 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.466 11.379 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.972 11.939 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.793 11.914 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.695 9.197 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.992 9.648 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.637 8.164 3.496 1.00 0.00 H new ATOM 1052 N SER A 69 3.254 8.168 -0.955 1.00 0.00 N ATOM 1053 CA SER A 69 1.894 7.911 -1.412 1.00 0.00 C ATOM 1054 C SER A 69 1.882 6.860 -2.518 1.00 0.00 C ATOM 1055 O SER A 69 2.916 6.281 -2.851 1.00 0.00 O ATOM 1056 CB SER A 69 1.249 9.204 -1.914 1.00 0.00 C ATOM 1057 OG SER A 69 1.999 9.770 -2.975 1.00 0.00 O ATOM 0 H SER A 69 3.967 8.072 -1.678 1.00 0.00 H new ATOM 0 HA SER A 69 1.319 7.531 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.233 9.000 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.175 9.919 -1.095 1.00 0.00 H new ATOM 0 HG SER A 69 1.565 10.594 -3.279 1.00 0.00 H new ATOM 1063 N TYR A 70 0.704 6.620 -3.084 1.00 0.00 N ATOM 1064 CA TYR A 70 0.555 5.638 -4.151 1.00 0.00 C ATOM 1065 C TYR A 70 -0.860 5.662 -4.720 1.00 0.00 C ATOM 1066 O TYR A 70 -1.841 5.562 -3.981 1.00 0.00 O ATOM 1067 CB TYR A 70 0.885 4.237 -3.633 1.00 0.00 C ATOM 1068 CG TYR A 70 1.192 3.243 -4.730 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.202 2.825 -5.612 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.470 2.720 -4.884 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.477 1.916 -6.616 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.754 1.812 -5.886 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.755 1.413 -6.749 1.00 0.00 C ATOM 1074 OH TYR A 70 2.034 0.507 -7.746 1.00 0.00 O ATOM 0 H TYR A 70 -0.161 7.092 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 70 1.252 5.897 -4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.741 4.299 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.044 3.869 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.799 3.217 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.255 3.028 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.304 1.601 -7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.753 1.417 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 70 2.724 0.873 -8.337 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.959 5.794 -6.038 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.254 5.831 -6.709 1.00 0.00 C ATOM 1086 C LEU A 71 -2.441 4.606 -7.598 1.00 0.00 C ATOM 1087 O LEU A 71 -1.751 4.445 -8.605 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.382 7.106 -7.544 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.806 7.535 -7.900 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.476 6.487 -8.774 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.621 7.779 -6.638 1.00 0.00 C ATOM 0 H LEU A 71 -0.158 5.877 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.032 5.825 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.903 7.921 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.823 6.968 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.754 8.468 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.488 6.809 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.905 6.361 -9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.516 5.538 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.631 8.083 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.664 6.862 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.152 8.566 -6.048 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.381 3.745 -7.221 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.662 2.536 -7.986 1.00 0.00 C ATOM 1105 C VAL A 72 -4.806 2.761 -8.968 1.00 0.00 C ATOM 1106 O VAL A 72 -5.796 3.419 -8.647 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.019 1.357 -7.061 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -4.222 0.085 -7.871 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.939 1.161 -6.008 1.00 0.00 C ATOM 0 H VAL A 72 -3.961 3.862 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.755 2.293 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.954 1.588 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.473 -0.737 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.033 0.233 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.305 -0.154 -8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.207 0.324 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.988 0.952 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.847 2.066 -5.408 1.00 0.00 H new ATOM 1119 N THR A 73 -4.664 2.209 -10.170 1.00 0.00 N ATOM 1120 CA THR A 73 -5.685 2.349 -11.200 1.00 0.00 C ATOM 1121 C THR A 73 -5.931 1.025 -11.914 1.00 0.00 C ATOM 1122 O THR A 73 -5.030 0.195 -12.032 1.00 0.00 O ATOM 1123 CB THR A 73 -5.290 3.414 -12.241 1.00 0.00 C ATOM 1124 OG1 THR A 73 -4.046 3.061 -12.856 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.169 4.785 -11.593 1.00 0.00 C ATOM 0 H THR A 73 -3.852 1.661 -10.453 1.00 0.00 H new ATOM 0 HA THR A 73 -6.600 2.663 -10.697 1.00 0.00 H new ATOM 0 HB THR A 73 -6.071 3.455 -13.000 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.803 3.742 -13.517 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.889 5.521 -12.347 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.125 5.064 -11.151 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.405 4.754 -10.816 1.00 0.00 H new ATOM 1133 N GLY A 74 -7.158 0.833 -12.389 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.500 -0.393 -13.086 1.00 0.00 C ATOM 1135 C GLY A 74 -7.963 -1.486 -12.143 1.00 0.00 C ATOM 1136 O GLY A 74 -7.422 -2.592 -12.150 1.00 0.00 O ATOM 0 H GLY A 74 -7.921 1.505 -12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.286 -0.187 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.633 -0.743 -13.645 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.967 -1.176 -11.329 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.502 -2.141 -10.374 1.00 0.00 C ATOM 1142 C LEU A 75 -10.968 -2.442 -10.668 1.00 0.00 C ATOM 1143 O LEU A 75 -11.647 -1.672 -11.348 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.354 -1.610 -8.947 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.986 -1.033 -8.584 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.124 0.023 -7.497 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.041 -2.139 -8.138 1.00 0.00 C ATOM 0 H LEU A 75 -9.426 -0.265 -11.311 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.934 -3.066 -10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.106 -0.837 -8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.580 -2.420 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.566 -0.560 -9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.140 0.423 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.765 0.830 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.566 -0.426 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.072 -1.709 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.456 -2.642 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.917 -2.860 -8.946 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.451 -3.566 -10.150 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.838 -3.968 -10.353 1.00 0.00 C ATOM 1161 C LYS A 76 -13.768 -3.212 -9.409 1.00 0.00 C ATOM 1162 O LYS A 76 -13.462 -3.001 -8.235 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.990 -5.475 -10.137 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.749 -6.297 -11.391 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.494 -7.621 -11.343 1.00 0.00 C ATOM 1166 CE LYS A 76 -13.229 -8.456 -12.586 1.00 0.00 C ATOM 1167 NZ LYS A 76 -13.582 -9.887 -12.378 1.00 0.00 N ATOM 0 H LYS A 76 -10.902 -4.215 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.114 -3.724 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.292 -5.795 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.994 -5.681 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.069 -5.730 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.681 -6.483 -11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.190 -8.179 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.564 -7.434 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.805 -8.057 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.177 -8.377 -12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.387 -10.423 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.014 -10.275 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.592 -9.965 -12.143 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.931 -2.796 -9.931 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.930 -2.059 -9.151 1.00 0.00 C ATOM 1183 C PRO A 77 -16.602 -2.932 -8.097 1.00 0.00 C ATOM 1184 O PRO A 77 -16.644 -4.155 -8.226 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.946 -1.615 -10.205 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.810 -2.610 -11.306 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.362 -3.013 -11.322 1.00 0.00 C ATOM 0 HA PRO A 77 -15.485 -1.234 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.958 -1.608 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.736 -0.605 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.453 -3.473 -11.134 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.105 -2.177 -12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.238 -4.053 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.784 -2.408 -12.021 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.128 -2.296 -7.055 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.799 -3.016 -5.979 1.00 0.00 C ATOM 1197 C ASN A 78 -17.008 -4.258 -5.580 1.00 0.00 C ATOM 1198 O ASN A 78 -17.564 -5.351 -5.459 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.213 -3.414 -6.407 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.041 -3.940 -5.251 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.252 -5.146 -5.121 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.515 -3.034 -4.403 1.00 0.00 N ATOM 0 H ASN A 78 -17.102 -1.284 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.861 -2.353 -5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.713 -2.551 -6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.153 -4.176 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.079 -3.328 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.315 -2.045 -4.550 1.00 0.00 H new ATOM 1209 N THR A 79 -15.706 -4.084 -5.375 1.00 0.00 N ATOM 1210 CA THR A 79 -14.838 -5.189 -4.990 1.00 0.00 C ATOM 1211 C THR A 79 -13.806 -4.745 -3.959 1.00 0.00 C ATOM 1212 O THR A 79 -13.013 -3.837 -4.210 1.00 0.00 O ATOM 1213 CB THR A 79 -14.106 -5.780 -6.210 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.053 -6.157 -7.215 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.275 -6.990 -5.809 1.00 0.00 C ATOM 0 H THR A 79 -15.230 -3.187 -5.469 1.00 0.00 H new ATOM 0 HA THR A 79 -15.478 -5.955 -4.553 1.00 0.00 H new ATOM 0 HB THR A 79 -13.438 -5.017 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.506 -5.357 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.768 -7.390 -6.687 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.535 -6.693 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.926 -7.755 -5.387 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.822 -5.391 -2.798 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.887 -5.062 -1.728 1.00 0.00 C ATOM 1225 C LEU A 80 -11.463 -5.458 -2.108 1.00 0.00 C ATOM 1226 O LEU A 80 -11.213 -6.590 -2.522 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.295 -5.767 -0.433 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.319 -5.641 0.737 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -12.246 -4.200 1.219 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.726 -6.566 1.874 1.00 0.00 C ATOM 0 H LEU A 80 -14.472 -6.145 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.916 -3.983 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.261 -5.373 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.437 -6.826 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.329 -5.937 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.546 -4.130 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.905 -3.561 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.234 -3.875 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.020 -6.463 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.726 -6.302 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.724 -7.598 1.522 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.535 -4.519 -1.963 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.137 -4.769 -2.291 1.00 0.00 C ATOM 1244 C TYR A 81 -8.240 -4.515 -1.083 1.00 0.00 C ATOM 1245 O TYR A 81 -8.647 -3.867 -0.120 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.700 -3.885 -3.460 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.917 -4.521 -4.814 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.189 -4.888 -5.235 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -7.850 -4.754 -5.673 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.392 -5.470 -6.472 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -8.044 -5.334 -6.912 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.316 -5.691 -7.307 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.514 -6.269 -8.539 1.00 0.00 O ATOM 0 H TYR A 81 -10.726 -3.577 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.039 -5.816 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.248 -2.944 -3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.643 -3.643 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.034 -4.716 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.852 -4.477 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.387 -5.750 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.204 -5.507 -7.568 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.655 -6.353 -9.003 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.016 -5.030 -1.145 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.061 -4.860 -0.056 1.00 0.00 C ATOM 1265 C GLU A 82 -4.914 -3.946 -0.477 1.00 0.00 C ATOM 1266 O GLU A 82 -4.556 -3.881 -1.654 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.510 -6.217 0.386 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.382 -6.924 1.409 1.00 0.00 C ATOM 1269 CD GLU A 82 -7.765 -7.245 0.874 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -7.893 -7.452 -0.351 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -8.718 -7.288 1.680 1.00 0.00 O ATOM 0 H GLU A 82 -6.663 -5.568 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.583 -4.398 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.400 -6.857 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.514 -6.076 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.894 -7.847 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.476 -6.297 2.296 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.341 -3.239 0.492 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.236 -2.327 0.223 1.00 0.00 C ATOM 1280 C PHE A 83 -2.287 -2.256 1.415 1.00 0.00 C ATOM 1281 O PHE A 83 -2.715 -2.059 2.552 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.768 -0.930 -0.104 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.767 -0.916 -1.226 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -6.105 -1.181 -0.983 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -4.367 -0.639 -2.524 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -7.027 -1.169 -2.013 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -5.285 -0.625 -3.557 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.616 -0.892 -3.302 1.00 0.00 C ATOM 0 H PHE A 83 -4.624 -3.281 1.471 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.684 -2.708 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.230 -0.508 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.931 -0.283 -0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.432 -1.400 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.327 -0.432 -2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.067 -1.376 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.962 -0.405 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.334 -0.884 -4.109 1.00 0.00 H new ATOM 1298 N SER A 84 -0.995 -2.418 1.147 1.00 0.00 N ATOM 1299 CA SER A 84 0.015 -2.376 2.197 1.00 0.00 C ATOM 1300 C SER A 84 1.320 -1.785 1.673 1.00 0.00 C ATOM 1301 O SER A 84 1.702 -2.014 0.525 1.00 0.00 O ATOM 1302 CB SER A 84 0.264 -3.781 2.750 1.00 0.00 C ATOM 1303 OG SER A 84 -0.823 -4.215 3.548 1.00 0.00 O ATOM 0 H SER A 84 -0.623 -2.580 0.211 1.00 0.00 H new ATOM 0 HA SER A 84 -0.356 -1.738 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.415 -4.478 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.179 -3.785 3.343 1.00 0.00 H new ATOM 0 HG SER A 84 -0.717 -5.167 3.756 1.00 0.00 H new ATOM 1309 N VAL A 85 2.001 -1.023 2.523 1.00 0.00 N ATOM 1310 CA VAL A 85 3.264 -0.399 2.147 1.00 0.00 C ATOM 1311 C VAL A 85 4.407 -0.900 3.023 1.00 0.00 C ATOM 1312 O VAL A 85 4.240 -1.095 4.227 1.00 0.00 O ATOM 1313 CB VAL A 85 3.185 1.136 2.254 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.383 1.781 1.574 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.883 1.645 1.655 1.00 0.00 C ATOM 0 H VAL A 85 1.699 -0.823 3.477 1.00 0.00 H new ATOM 0 HA VAL A 85 3.457 -0.675 1.110 1.00 0.00 H new ATOM 0 HB VAL A 85 3.205 1.411 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.310 2.865 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.301 1.440 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.398 1.501 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.844 2.731 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.830 1.360 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.041 1.209 2.192 1.00 0.00 H new ATOM 1325 N MET A 86 5.568 -1.107 2.411 1.00 0.00 N ATOM 1326 CA MET A 86 6.740 -1.584 3.136 1.00 0.00 C ATOM 1327 C MET A 86 7.999 -0.861 2.669 1.00 0.00 C ATOM 1328 O MET A 86 8.016 -0.247 1.602 1.00 0.00 O ATOM 1329 CB MET A 86 6.904 -3.093 2.945 1.00 0.00 C ATOM 1330 CG MET A 86 7.668 -3.467 1.685 1.00 0.00 C ATOM 1331 SD MET A 86 9.444 -3.605 1.966 1.00 0.00 S ATOM 1332 CE MET A 86 9.568 -5.304 2.519 1.00 0.00 C ATOM 0 H MET A 86 5.723 -0.952 1.415 1.00 0.00 H new ATOM 0 HA MET A 86 6.593 -1.373 4.195 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.422 -3.506 3.810 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.918 -3.556 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.290 -4.415 1.303 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.483 -2.717 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.972 -5.329 3.531 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.579 -5.762 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.228 -5.857 1.851 1.00 0.00 H new ATOM 1342 N VAL A 87 9.053 -0.937 3.476 1.00 0.00 N ATOM 1343 CA VAL A 87 10.317 -0.290 3.146 1.00 0.00 C ATOM 1344 C VAL A 87 11.484 -1.261 3.285 1.00 0.00 C ATOM 1345 O VAL A 87 11.537 -2.055 4.225 1.00 0.00 O ATOM 1346 CB VAL A 87 10.572 0.935 4.044 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.648 0.520 5.505 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.845 1.651 3.618 1.00 0.00 C ATOM 0 H VAL A 87 9.056 -1.440 4.363 1.00 0.00 H new ATOM 0 HA VAL A 87 10.243 0.039 2.109 1.00 0.00 H new ATOM 0 HB VAL A 87 9.737 1.627 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.829 1.399 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.707 0.055 5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.462 -0.192 5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.010 2.514 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.691 0.969 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.747 1.984 2.585 1.00 0.00 H new ATOM 1358 N THR A 88 12.420 -1.192 2.344 1.00 0.00 N ATOM 1359 CA THR A 88 13.587 -2.065 2.361 1.00 0.00 C ATOM 1360 C THR A 88 14.858 -1.291 2.032 1.00 0.00 C ATOM 1361 O THR A 88 14.857 -0.413 1.169 1.00 0.00 O ATOM 1362 CB THR A 88 13.434 -3.227 1.360 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.470 -4.168 1.846 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.766 -3.927 1.136 1.00 0.00 C ATOM 0 H THR A 88 12.393 -0.540 1.560 1.00 0.00 H new ATOM 0 HA THR A 88 13.663 -2.471 3.370 1.00 0.00 H new ATOM 0 HB THR A 88 13.093 -2.817 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.571 -3.884 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.633 -4.743 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.489 -3.215 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.131 -4.325 2.083 1.00 0.00 H new ATOM 1372 N LYS A 89 15.943 -1.622 2.725 1.00 0.00 N ATOM 1373 CA LYS A 89 17.223 -0.959 2.506 1.00 0.00 C ATOM 1374 C LYS A 89 18.298 -1.967 2.115 1.00 0.00 C ATOM 1375 O LYS A 89 19.389 -1.977 2.684 1.00 0.00 O ATOM 1376 CB LYS A 89 17.651 -0.202 3.765 1.00 0.00 C ATOM 1377 CG LYS A 89 17.641 -1.057 5.021 1.00 0.00 C ATOM 1378 CD LYS A 89 18.664 -0.572 6.034 1.00 0.00 C ATOM 1379 CE LYS A 89 18.279 0.781 6.611 1.00 0.00 C ATOM 1380 NZ LYS A 89 19.041 1.092 7.853 1.00 0.00 N ATOM 0 H LYS A 89 15.961 -2.346 3.443 1.00 0.00 H new ATOM 0 HA LYS A 89 17.101 -0.250 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 89 18.654 0.198 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.987 0.650 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.647 -1.037 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.851 -2.094 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.753 -1.300 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.643 -0.501 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.462 1.558 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.211 0.793 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.750 2.022 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.847 0.365 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.059 1.106 7.641 1.00 0.00 H new ATOM 1394 N GLY A 90 17.983 -2.815 1.140 1.00 0.00 N ATOM 1395 CA GLY A 90 18.933 -3.815 0.690 1.00 0.00 C ATOM 1396 C GLY A 90 18.781 -5.132 1.425 1.00 0.00 C ATOM 1397 O GLY A 90 17.976 -5.978 1.037 1.00 0.00 O ATOM 0 H GLY A 90 17.086 -2.827 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.801 -3.982 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.946 -3.439 0.831 1.00 0.00 H new ATOM 1401 N ARG A 91 19.558 -5.306 2.489 1.00 0.00 N ATOM 1402 CA ARG A 91 19.508 -6.531 3.279 1.00 0.00 C ATOM 1403 C ARG A 91 18.423 -6.445 4.348 1.00 0.00 C ATOM 1404 O ARG A 91 17.746 -7.431 4.640 1.00 0.00 O ATOM 1405 CB ARG A 91 20.865 -6.797 3.934 1.00 0.00 C ATOM 1406 CG ARG A 91 21.910 -7.338 2.972 1.00 0.00 C ATOM 1407 CD ARG A 91 23.105 -7.915 3.715 1.00 0.00 C ATOM 1408 NE ARG A 91 24.312 -7.915 2.894 1.00 0.00 N ATOM 1409 CZ ARG A 91 25.524 -8.184 3.368 1.00 0.00 C ATOM 1410 NH1 ARG A 91 25.687 -8.474 4.651 1.00 0.00 N ATOM 1411 NH2 ARG A 91 26.574 -8.164 2.557 1.00 0.00 N ATOM 0 H ARG A 91 20.229 -4.615 2.824 1.00 0.00 H new ATOM 0 HA ARG A 91 19.268 -7.356 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.234 -5.871 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.732 -7.507 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.464 -8.109 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.243 -6.540 2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.283 -7.335 4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.879 -8.934 4.028 1.00 0.00 H new ATOM 0 HE ARG A 91 24.220 -7.697 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.881 -8.491 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.618 -8.680 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 91 26.451 -7.942 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 91 27.504 -8.371 2.922 1.00 0.00 H new ATOM 1425 N ARG A 92 18.264 -5.260 4.928 1.00 0.00 N ATOM 1426 CA ARG A 92 17.263 -5.046 5.966 1.00 0.00 C ATOM 1427 C ARG A 92 15.918 -4.667 5.354 1.00 0.00 C ATOM 1428 O ARG A 92 15.860 -4.053 4.289 1.00 0.00 O ATOM 1429 CB ARG A 92 17.723 -3.950 6.930 1.00 0.00 C ATOM 1430 CG ARG A 92 18.612 -4.461 8.052 1.00 0.00 C ATOM 1431 CD ARG A 92 18.494 -3.592 9.295 1.00 0.00 C ATOM 1432 NE ARG A 92 19.455 -2.493 9.288 1.00 0.00 N ATOM 1433 CZ ARG A 92 20.740 -2.638 9.588 1.00 0.00 C ATOM 1434 NH1 ARG A 92 21.217 -3.830 9.917 1.00 0.00 N ATOM 1435 NH2 ARG A 92 21.552 -1.589 9.559 1.00 0.00 N ATOM 0 H ARG A 92 18.815 -4.434 4.697 1.00 0.00 H new ATOM 0 HA ARG A 92 17.143 -5.979 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.263 -3.187 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.847 -3.467 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.338 -5.487 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.649 -4.480 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.483 -3.189 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.651 -4.205 10.182 1.00 0.00 H new ATOM 0 HE ARG A 92 19.121 -1.562 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.596 -4.639 9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.205 -3.938 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.189 -0.670 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.539 -1.702 9.790 1.00 0.00 H new ATOM 1449 N SER A 93 14.838 -5.038 6.035 1.00 0.00 N ATOM 1450 CA SER A 93 13.493 -4.741 5.556 1.00 0.00 C ATOM 1451 C SER A 93 12.475 -4.861 6.687 1.00 0.00 C ATOM 1452 O SER A 93 12.764 -5.429 7.739 1.00 0.00 O ATOM 1453 CB SER A 93 13.116 -5.685 4.413 1.00 0.00 C ATOM 1454 OG SER A 93 13.067 -7.030 4.857 1.00 0.00 O ATOM 0 H SER A 93 14.868 -5.545 6.920 1.00 0.00 H new ATOM 0 HA SER A 93 13.483 -3.715 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.147 -5.398 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.842 -5.592 3.606 1.00 0.00 H new ATOM 0 HG SER A 93 12.822 -7.613 4.108 1.00 0.00 H new ATOM 1460 N SER A 94 11.282 -4.321 6.460 1.00 0.00 N ATOM 1461 CA SER A 94 10.221 -4.363 7.460 1.00 0.00 C ATOM 1462 C SER A 94 9.029 -5.167 6.953 1.00 0.00 C ATOM 1463 O SER A 94 8.935 -5.481 5.765 1.00 0.00 O ATOM 1464 CB SER A 94 9.777 -2.944 7.823 1.00 0.00 C ATOM 1465 OG SER A 94 8.971 -2.385 6.800 1.00 0.00 O ATOM 0 H SER A 94 11.026 -3.849 5.593 1.00 0.00 H new ATOM 0 HA SER A 94 10.614 -4.852 8.351 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.220 -2.962 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.653 -2.316 7.985 1.00 0.00 H new ATOM 0 HG SER A 94 9.336 -2.631 5.925 1.00 0.00 H new ATOM 1471 N THR A 95 8.117 -5.499 7.862 1.00 0.00 N ATOM 1472 CA THR A 95 6.930 -6.267 7.509 1.00 0.00 C ATOM 1473 C THR A 95 5.900 -5.395 6.800 1.00 0.00 C ATOM 1474 O THR A 95 6.155 -4.225 6.516 1.00 0.00 O ATOM 1475 CB THR A 95 6.280 -6.901 8.754 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.337 -7.903 8.358 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.582 -5.844 9.596 1.00 0.00 C ATOM 0 H THR A 95 8.178 -5.248 8.849 1.00 0.00 H new ATOM 0 HA THR A 95 7.256 -7.059 6.835 1.00 0.00 H new ATOM 0 HB THR A 95 7.066 -7.360 9.354 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.930 -8.302 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.130 -6.314 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.309 -5.099 9.920 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.806 -5.360 9.003 1.00 0.00 H new ATOM 1485 N TRP A 96 4.737 -5.971 6.519 1.00 0.00 N ATOM 1486 CA TRP A 96 3.668 -5.244 5.844 1.00 0.00 C ATOM 1487 C TRP A 96 2.814 -4.475 6.847 1.00 0.00 C ATOM 1488 O TRP A 96 2.143 -5.071 7.690 1.00 0.00 O ATOM 1489 CB TRP A 96 2.792 -6.210 5.045 1.00 0.00 C ATOM 1490 CG TRP A 96 3.544 -6.954 3.983 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.783 -8.298 3.937 1.00 0.00 C ATOM 1492 CD2 TRP A 96 4.156 -6.395 2.816 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.507 -8.608 2.811 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.748 -7.458 2.106 1.00 0.00 C ATOM 1495 CE3 TRP A 96 4.260 -5.100 2.300 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.434 -7.264 0.910 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.941 -4.909 1.113 1.00 0.00 C ATOM 1498 CH2 TRP A 96 5.520 -5.986 0.428 1.00 0.00 C ATOM 0 H TRP A 96 4.510 -6.939 6.748 1.00 0.00 H new ATOM 0 HA TRP A 96 4.125 -4.528 5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.338 -6.927 5.729 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.978 -5.652 4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.452 -9.012 4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.815 -9.543 2.543 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.816 -4.264 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.882 -8.092 0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.029 -3.912 0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 96 6.044 -5.804 -0.498 1.00 0.00 H new ATOM 1509 N SER A 97 2.845 -3.150 6.751 1.00 0.00 N ATOM 1510 CA SER A 97 2.076 -2.300 7.653 1.00 0.00 C ATOM 1511 C SER A 97 0.594 -2.661 7.608 1.00 0.00 C ATOM 1512 O SER A 97 0.154 -3.418 6.744 1.00 0.00 O ATOM 1513 CB SER A 97 2.265 -0.827 7.285 1.00 0.00 C ATOM 1514 OG SER A 97 1.873 -0.582 5.945 1.00 0.00 O ATOM 0 H SER A 97 3.394 -2.642 6.058 1.00 0.00 H new ATOM 0 HA SER A 97 2.442 -2.464 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.679 -0.202 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.310 -0.547 7.419 1.00 0.00 H new ATOM 0 HG SER A 97 2.638 -0.725 5.349 1.00 0.00 H new ATOM 1520 N MET A 98 -0.170 -2.114 8.548 1.00 0.00 N ATOM 1521 CA MET A 98 -1.603 -2.377 8.616 1.00 0.00 C ATOM 1522 C MET A 98 -2.228 -2.345 7.225 1.00 0.00 C ATOM 1523 O MET A 98 -2.135 -1.345 6.513 1.00 0.00 O ATOM 1524 CB MET A 98 -2.289 -1.351 9.520 1.00 0.00 C ATOM 1525 CG MET A 98 -2.116 0.085 9.050 1.00 0.00 C ATOM 1526 SD MET A 98 -2.605 1.288 10.301 1.00 0.00 S ATOM 1527 CE MET A 98 -4.383 1.299 10.084 1.00 0.00 C ATOM 0 H MET A 98 0.179 -1.486 9.273 1.00 0.00 H new ATOM 0 HA MET A 98 -1.745 -3.373 9.036 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.353 -1.581 9.575 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.890 -1.445 10.530 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.073 0.252 8.779 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.709 0.242 8.149 1.00 0.00 H new ATOM 0 HE1 MET A 98 -4.831 1.998 10.790 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.623 1.607 9.066 1.00 0.00 H new ATOM 0 HE3 MET A 98 -4.778 0.299 10.264 1.00 0.00 H new ATOM 1537 N THR A 99 -2.866 -3.447 6.843 1.00 0.00 N ATOM 1538 CA THR A 99 -3.506 -3.545 5.537 1.00 0.00 C ATOM 1539 C THR A 99 -4.774 -2.701 5.480 1.00 0.00 C ATOM 1540 O THR A 99 -5.719 -2.933 6.234 1.00 0.00 O ATOM 1541 CB THR A 99 -3.858 -5.005 5.192 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.711 -5.842 5.376 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.351 -5.119 3.758 1.00 0.00 C ATOM 0 H THR A 99 -2.953 -4.284 7.419 1.00 0.00 H new ATOM 0 HA THR A 99 -2.790 -3.169 4.806 1.00 0.00 H new ATOM 0 HB THR A 99 -4.656 -5.331 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.943 -6.768 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.593 -6.159 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.242 -4.504 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.572 -4.776 3.077 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.788 -1.722 4.582 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.941 -0.845 4.426 1.00 0.00 C ATOM 1553 C ALA A 100 -6.969 -1.454 3.477 1.00 0.00 C ATOM 1554 O ALA A 100 -6.708 -1.618 2.285 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.501 0.522 3.923 1.00 0.00 C ATOM 0 H ALA A 100 -4.013 -1.516 3.951 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.411 -0.726 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.373 1.166 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.810 0.968 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.005 0.412 2.959 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.139 -1.787 4.014 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.206 -2.378 3.215 1.00 0.00 C ATOM 1563 C HIS A 101 -10.123 -1.297 2.649 1.00 0.00 C ATOM 1564 O HIS A 101 -10.780 -0.573 3.395 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.018 -3.362 4.058 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.182 -4.407 4.730 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.077 -4.520 6.100 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.409 -5.390 4.213 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.275 -5.527 6.397 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -7.856 -6.072 5.269 1.00 0.00 N ATOM 0 H HIS A 101 -8.372 -1.657 4.999 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.749 -2.915 2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.571 -2.808 4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.754 -3.852 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.255 -5.599 3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.008 -5.850 7.392 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.225 -6.870 5.194 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.160 -1.195 1.323 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.999 -0.200 0.680 1.00 0.00 C ATOM 1581 C GLY A 102 -11.890 -0.797 -0.390 1.00 0.00 C ATOM 1582 O GLY A 102 -11.420 -1.521 -1.269 1.00 0.00 O ATOM 0 H GLY A 102 -9.625 -1.783 0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.618 0.290 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.368 0.570 0.235 1.00 0.00 H new ATOM 1586 N THR A 103 -13.183 -0.496 -0.318 1.00 0.00 N ATOM 1587 CA THR A 103 -14.143 -1.010 -1.286 1.00 0.00 C ATOM 1588 C THR A 103 -14.464 0.034 -2.350 1.00 0.00 C ATOM 1589 O THR A 103 -14.950 1.123 -2.040 1.00 0.00 O ATOM 1590 CB THR A 103 -15.451 -1.449 -0.602 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.170 -2.411 0.421 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.418 -2.045 -1.614 1.00 0.00 C ATOM 0 H THR A 103 -13.589 0.102 0.402 1.00 0.00 H new ATOM 0 HA THR A 103 -13.681 -1.877 -1.759 1.00 0.00 H new ATOM 0 HB THR A 103 -15.914 -0.569 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.007 -2.684 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.334 -2.348 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.653 -1.301 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.960 -2.914 -2.086 1.00 0.00 H new ATOM 1600 N THR A 104 -14.192 -0.304 -3.606 1.00 0.00 N ATOM 1601 CA THR A 104 -14.452 0.605 -4.716 1.00 0.00 C ATOM 1602 C THR A 104 -15.948 0.827 -4.905 1.00 0.00 C ATOM 1603 O THR A 104 -16.767 0.037 -4.437 1.00 0.00 O ATOM 1604 CB THR A 104 -13.853 0.071 -6.031 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.355 -1.243 -6.300 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.334 0.035 -5.958 1.00 0.00 C ATOM 0 H THR A 104 -13.792 -1.201 -3.881 1.00 0.00 H new ATOM 0 HA THR A 104 -13.975 1.553 -4.467 1.00 0.00 H new ATOM 0 HB THR A 104 -14.146 0.743 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.863 -1.633 -7.052 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.933 -0.345 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.954 1.042 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.024 -0.617 -5.141 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.298 1.908 -5.595 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.697 2.234 -5.846 1.00 0.00 C ATOM 1616 C PHE A 105 -18.262 1.374 -6.972 1.00 0.00 C ATOM 1617 O PHE A 105 -17.532 0.628 -7.624 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.841 3.716 -6.200 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.713 4.630 -5.015 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.580 4.518 -3.940 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.726 5.601 -4.976 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.465 5.357 -2.848 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.606 6.443 -3.886 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.477 6.322 -2.821 1.00 0.00 C ATOM 0 H PHE A 105 -15.632 2.572 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.261 2.028 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.083 3.981 -6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.811 3.877 -6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.355 3.766 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.043 5.701 -5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -19.147 5.258 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.831 7.195 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.386 6.980 -1.969 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.568 1.484 -7.194 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.232 0.715 -8.240 1.00 0.00 C ATOM 1636 C GLU A 106 -20.082 1.399 -9.596 1.00 0.00 C ATOM 1637 O GLU A 106 -20.417 2.574 -9.752 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.715 0.535 -7.909 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.969 -0.424 -6.758 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.437 -0.770 -6.600 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.002 -1.397 -7.521 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -24.022 -0.413 -5.556 1.00 0.00 O ATOM 0 H GLU A 106 -20.187 2.098 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.757 -0.265 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.144 1.506 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.235 0.172 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.399 -1.339 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.603 0.020 -5.832 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.577 0.655 -10.574 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.381 1.188 -11.918 1.00 0.00 C ATOM 1651 C LEU A 107 -20.609 0.936 -12.788 1.00 0.00 C ATOM 1652 O LEU A 107 -21.149 1.858 -13.399 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.146 0.558 -12.563 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.948 0.842 -14.053 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.643 2.315 -14.279 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.835 -0.028 -14.619 1.00 0.00 C ATOM 0 H LEU A 107 -19.296 -0.319 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.231 2.265 -11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.263 0.906 -12.027 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.199 -0.522 -12.423 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.873 0.599 -14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.505 2.499 -15.345 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.472 2.919 -13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.733 2.584 -13.744 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.708 0.188 -15.680 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.904 0.183 -14.092 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.094 -1.079 -14.491 1.00 0.00 H new ATOM 1668 N SER A 108 -21.045 -0.319 -12.837 1.00 0.00 N ATOM 1669 CA SER A 108 -22.208 -0.693 -13.633 1.00 0.00 C ATOM 1670 C SER A 108 -23.488 -0.578 -12.812 1.00 0.00 C ATOM 1671 O SER A 108 -23.834 -1.480 -12.050 1.00 0.00 O ATOM 1672 CB SER A 108 -22.053 -2.121 -14.160 1.00 0.00 C ATOM 1673 OG SER A 108 -20.906 -2.239 -14.983 1.00 0.00 O ATOM 0 H SER A 108 -20.610 -1.093 -12.335 1.00 0.00 H new ATOM 0 HA SER A 108 -22.276 -0.007 -14.477 1.00 0.00 H new ATOM 0 HB2 SER A 108 -21.977 -2.815 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 108 -22.941 -2.401 -14.726 1.00 0.00 H new ATOM 0 HG SER A 108 -20.828 -3.161 -15.306 1.00 0.00 H new ATOM 1679 N GLY A 109 -24.189 0.540 -12.973 1.00 0.00 N ATOM 1680 CA GLY A 109 -25.424 0.754 -12.240 1.00 0.00 C ATOM 1681 C GLY A 109 -25.384 2.009 -11.391 1.00 0.00 C ATOM 1682 O GLY A 109 -24.317 2.522 -11.053 1.00 0.00 O ATOM 0 H GLY A 109 -23.924 1.302 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -26.254 0.821 -12.944 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.617 -0.107 -11.601 1.00 0.00 H new ATOM 1686 N PRO A 110 -26.569 2.525 -11.034 1.00 0.00 N ATOM 1687 CA PRO A 110 -26.692 3.735 -10.215 1.00 0.00 C ATOM 1688 C PRO A 110 -26.247 3.508 -8.775 1.00 0.00 C ATOM 1689 O PRO A 110 -26.266 2.381 -8.279 1.00 0.00 O ATOM 1690 CB PRO A 110 -28.190 4.048 -10.269 1.00 0.00 C ATOM 1691 CG PRO A 110 -28.842 2.736 -10.538 1.00 0.00 C ATOM 1692 CD PRO A 110 -27.881 1.966 -11.401 1.00 0.00 C ATOM 0 HA PRO A 110 -26.060 4.543 -10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -28.539 4.478 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -28.415 4.770 -11.054 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -29.045 2.203 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -29.798 2.872 -11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -27.931 0.895 -11.202 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -28.094 2.104 -12.461 1.00 0.00 H new ATOM 1700 N SER A 111 -25.846 4.585 -8.107 1.00 0.00 N ATOM 1701 CA SER A 111 -25.392 4.502 -6.724 1.00 0.00 C ATOM 1702 C SER A 111 -25.726 5.783 -5.965 1.00 0.00 C ATOM 1703 O SER A 111 -25.996 6.822 -6.568 1.00 0.00 O ATOM 1704 CB SER A 111 -23.885 4.245 -6.674 1.00 0.00 C ATOM 1705 OG SER A 111 -23.158 5.391 -7.082 1.00 0.00 O ATOM 0 H SER A 111 -25.826 5.525 -8.501 1.00 0.00 H new ATOM 0 HA SER A 111 -25.911 3.671 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 111 -23.594 3.967 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 111 -23.635 3.403 -7.320 1.00 0.00 H new ATOM 0 HG SER A 111 -22.197 5.201 -7.039 1.00 0.00 H new ATOM 1711 N SER A 112 -25.705 5.700 -4.639 1.00 0.00 N ATOM 1712 CA SER A 112 -26.009 6.850 -3.796 1.00 0.00 C ATOM 1713 C SER A 112 -24.971 7.952 -3.985 1.00 0.00 C ATOM 1714 O SER A 112 -23.827 7.824 -3.551 1.00 0.00 O ATOM 1715 CB SER A 112 -26.063 6.432 -2.326 1.00 0.00 C ATOM 1716 OG SER A 112 -26.963 7.249 -1.596 1.00 0.00 O ATOM 0 H SER A 112 -25.481 4.848 -4.125 1.00 0.00 H new ATOM 0 HA SER A 112 -26.984 7.238 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 112 -26.372 5.389 -2.252 1.00 0.00 H new ATOM 0 HB3 SER A 112 -25.067 6.501 -1.888 1.00 0.00 H new ATOM 0 HG SER A 112 -26.981 6.960 -0.660 1.00 0.00 H new ATOM 1722 N GLY A 113 -25.380 9.036 -4.638 1.00 0.00 N ATOM 1723 CA GLY A 113 -24.474 10.145 -4.874 1.00 0.00 C ATOM 1724 C GLY A 113 -24.322 11.039 -3.659 1.00 0.00 C ATOM 1725 O GLY A 113 -23.292 11.689 -3.483 1.00 0.00 O ATOM 0 H GLY A 113 -26.322 9.166 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -23.496 9.757 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -24.840 10.737 -5.713 1.00 0.00 H new TER 1729 GLY A 113