USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 976 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 109 THR OG1 : rot 180:sc= 0.335 USER MOD Set 1.2: A 112 ASN : amide:sc= 0.92 K(o=1.3,f=-0.84!) USER MOD Set 2.1: A 23 HIS : no HD1:sc= 0.81 K(o=1.7,f=-6.8!) USER MOD Set 2.2: A 35 HIS : no HD1:sc= 0.693 K(o=1.7,f=-4.1!) USER MOD Set 2.3: A 113 CYS SG : rot 76:sc= 0.226 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.0466 USER MOD Single : A 27 TYR OH : rot -5:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 55 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.17) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 1.34 (180deg=1.25) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 1.31 (180deg=1.26) USER MOD Single : A 66 TYR OH : rot 90:sc= 0.582 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.19 K(o=1.2,f=-0.34) USER MOD Single : A 77 ASN : amide:sc= 1.09 K(o=1.1,f=-1.6) USER MOD Single : A 78 ASN : amide:sc= 1.92 K(o=1.9,f=-6.8!) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.27) USER MOD Single : A 80 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=-0.052) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.14) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 51:sc= 1.9 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0558 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00153) USER MOD Single : A 94 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 102 GLN : amide:sc= 0.66 K(o=0.66,f=-0.084) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -90:sc= 1.31 USER MOD Single : A 115 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-1.2) USER MOD Single : A 118 ASN : amide:sc= 0.959 K(o=0.96,f=-0.26) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.321 -9.084 7.119 1.00 0.00 N ATOM 2 CA MET A 1 23.673 -7.893 6.513 1.00 0.00 C ATOM 3 C MET A 1 22.355 -8.301 5.847 1.00 0.00 C ATOM 4 O MET A 1 22.288 -9.332 5.170 1.00 0.00 O ATOM 5 CB MET A 1 24.581 -7.178 5.488 1.00 0.00 C ATOM 6 CG MET A 1 25.799 -6.491 6.122 1.00 0.00 C ATOM 7 SD MET A 1 26.826 -5.574 4.936 1.00 0.00 S ATOM 8 CE MET A 1 28.096 -4.935 6.063 1.00 0.00 C ATOM 0 H1 MET A 1 25.215 -8.801 7.569 1.00 0.00 H new ATOM 0 H2 MET A 1 23.689 -9.497 7.834 1.00 0.00 H new ATOM 0 H3 MET A 1 24.514 -9.789 6.379 1.00 0.00 H new ATOM 0 HA MET A 1 23.482 -7.185 7.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.926 -7.904 4.752 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.993 -6.434 4.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.455 -5.805 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.414 -7.245 6.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.817 -4.343 5.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.627 -4.310 6.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.608 -5.768 6.544 1.00 0.00 H new ATOM 20 N ARG A 2 21.298 -7.498 6.022 1.00 0.00 N ATOM 21 CA ARG A 2 19.998 -7.686 5.373 1.00 0.00 C ATOM 22 C ARG A 2 19.311 -6.333 5.194 1.00 0.00 C ATOM 23 O ARG A 2 19.734 -5.339 5.792 1.00 0.00 O ATOM 24 CB ARG A 2 19.098 -8.636 6.194 1.00 0.00 C ATOM 25 CG ARG A 2 18.867 -8.203 7.656 1.00 0.00 C ATOM 26 CD ARG A 2 17.604 -8.874 8.203 1.00 0.00 C ATOM 27 NE ARG A 2 17.419 -8.653 9.647 1.00 0.00 N ATOM 28 CZ ARG A 2 16.341 -9.031 10.347 1.00 0.00 C ATOM 29 NH1 ARG A 2 15.262 -9.514 9.737 1.00 0.00 N ATOM 30 NH2 ARG A 2 16.348 -8.933 11.669 1.00 0.00 N ATOM 0 H ARG A 2 21.325 -6.682 6.633 1.00 0.00 H new ATOM 0 HA ARG A 2 20.163 -8.141 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 2 18.131 -8.718 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 2 19.544 -9.630 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 2 19.728 -8.476 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 2 18.767 -7.119 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 2 16.735 -8.492 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 2 17.654 -9.945 8.008 1.00 0.00 H new ATOM 0 HE ARG A 2 18.167 -8.177 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.247 -9.601 8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.450 -9.797 10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.172 -8.571 12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 2 15.530 -9.220 12.206 1.00 0.00 H new ATOM 44 N ALA A 3 18.244 -6.306 4.394 1.00 0.00 N ATOM 45 CA ALA A 3 17.340 -5.164 4.318 1.00 0.00 C ATOM 46 C ALA A 3 16.653 -4.979 5.687 1.00 0.00 C ATOM 47 O ALA A 3 16.518 -5.957 6.430 1.00 0.00 O ATOM 48 CB ALA A 3 16.309 -5.428 3.214 1.00 0.00 C ATOM 0 H ALA A 3 17.984 -7.078 3.780 1.00 0.00 H new ATOM 0 HA ALA A 3 17.884 -4.251 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.625 -4.582 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 3 16.822 -5.559 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.746 -6.331 3.450 1.00 0.00 H new ATOM 54 N PRO A 4 16.197 -3.762 6.037 1.00 0.00 N ATOM 55 CA PRO A 4 15.503 -3.524 7.295 1.00 0.00 C ATOM 56 C PRO A 4 14.105 -4.161 7.286 1.00 0.00 C ATOM 57 O PRO A 4 13.612 -4.633 6.257 1.00 0.00 O ATOM 58 CB PRO A 4 15.452 -1.998 7.442 1.00 0.00 C ATOM 59 CG PRO A 4 15.402 -1.509 5.996 1.00 0.00 C ATOM 60 CD PRO A 4 16.269 -2.532 5.258 1.00 0.00 C ATOM 0 HA PRO A 4 16.014 -3.981 8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.576 -1.677 8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.327 -1.615 7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.382 -1.491 5.611 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.798 -0.498 5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 4 15.904 -2.692 4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.298 -2.183 5.176 1.00 0.00 H new ATOM 68 N ILE A 5 13.440 -4.097 8.439 1.00 0.00 N ATOM 69 CA ILE A 5 12.060 -4.531 8.653 1.00 0.00 C ATOM 70 C ILE A 5 11.303 -3.329 9.254 1.00 0.00 C ATOM 71 O ILE A 5 10.966 -3.327 10.438 1.00 0.00 O ATOM 72 CB ILE A 5 12.025 -5.848 9.475 1.00 0.00 C ATOM 73 CG1 ILE A 5 12.921 -5.816 10.742 1.00 0.00 C ATOM 74 CG2 ILE A 5 12.445 -7.014 8.558 1.00 0.00 C ATOM 75 CD1 ILE A 5 12.721 -7.014 11.676 1.00 0.00 C ATOM 0 H ILE A 5 13.868 -3.725 9.287 1.00 0.00 H new ATOM 0 HA ILE A 5 11.546 -4.803 7.731 1.00 0.00 H new ATOM 0 HB ILE A 5 11.005 -5.980 9.835 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.966 -5.778 10.435 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.718 -4.899 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.425 -7.946 9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.754 -7.083 7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.454 -6.838 8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.382 -6.918 12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.685 -7.042 12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.953 -7.935 11.141 1.00 0.00 H new ATOM 87 N PRO A 6 11.084 -2.258 8.462 1.00 0.00 N ATOM 88 CA PRO A 6 10.625 -0.969 8.973 1.00 0.00 C ATOM 89 C PRO A 6 9.159 -0.952 9.423 1.00 0.00 C ATOM 90 O PRO A 6 8.788 -0.098 10.233 1.00 0.00 O ATOM 91 CB PRO A 6 10.876 0.016 7.824 1.00 0.00 C ATOM 92 CG PRO A 6 10.699 -0.845 6.577 1.00 0.00 C ATOM 93 CD PRO A 6 11.300 -2.175 7.020 1.00 0.00 C ATOM 0 HA PRO A 6 11.165 -0.710 9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.169 0.845 7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.875 0.448 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.651 -0.945 6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.222 -0.428 5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.822 -3.009 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.363 -2.221 6.782 1.00 0.00 H new ATOM 101 N GLU A 7 8.322 -1.862 8.914 1.00 0.00 N ATOM 102 CA GLU A 7 6.881 -1.878 9.172 1.00 0.00 C ATOM 103 C GLU A 7 6.174 -3.253 9.258 1.00 0.00 C ATOM 104 O GLU A 7 5.096 -3.276 9.858 1.00 0.00 O ATOM 105 CB GLU A 7 6.175 -0.977 8.139 1.00 0.00 C ATOM 106 CG GLU A 7 6.199 -1.528 6.703 1.00 0.00 C ATOM 107 CD GLU A 7 5.523 -0.553 5.721 1.00 0.00 C ATOM 108 OE1 GLU A 7 4.280 -0.585 5.581 1.00 0.00 O ATOM 109 OE2 GLU A 7 6.230 0.248 5.067 1.00 0.00 O ATOM 0 H GLU A 7 8.632 -2.618 8.303 1.00 0.00 H new ATOM 0 HA GLU A 7 6.791 -1.501 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.138 -0.835 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.647 0.006 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.230 -1.702 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.690 -2.491 6.672 1.00 0.00 H new ATOM 116 N PRO A 8 6.669 -4.387 8.711 1.00 0.00 N ATOM 117 CA PRO A 8 5.892 -5.624 8.720 1.00 0.00 C ATOM 118 C PRO A 8 5.873 -6.259 10.118 1.00 0.00 C ATOM 119 O PRO A 8 6.786 -6.044 10.923 1.00 0.00 O ATOM 120 CB PRO A 8 6.578 -6.537 7.698 1.00 0.00 C ATOM 121 CG PRO A 8 8.040 -6.115 7.774 1.00 0.00 C ATOM 122 CD PRO A 8 7.945 -4.613 8.046 1.00 0.00 C ATOM 0 HA PRO A 8 4.847 -5.448 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.450 -7.590 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.171 -6.397 6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.571 -6.637 8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.571 -6.325 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.772 -4.280 8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.002 -4.047 7.116 1.00 0.00 H new ATOM 130 N LYS A 9 4.877 -7.109 10.382 1.00 0.00 N ATOM 131 CA LYS A 9 4.827 -7.976 11.561 1.00 0.00 C ATOM 132 C LYS A 9 4.480 -9.397 11.103 1.00 0.00 C ATOM 133 O LYS A 9 3.766 -9.538 10.104 1.00 0.00 O ATOM 134 CB LYS A 9 3.845 -7.434 12.618 1.00 0.00 C ATOM 135 CG LYS A 9 2.372 -7.377 12.168 1.00 0.00 C ATOM 136 CD LYS A 9 1.421 -6.909 13.281 1.00 0.00 C ATOM 137 CE LYS A 9 1.677 -5.450 13.689 1.00 0.00 C ATOM 138 NZ LYS A 9 0.720 -4.978 14.721 1.00 0.00 N ATOM 0 H LYS A 9 4.068 -7.215 9.770 1.00 0.00 H new ATOM 0 HA LYS A 9 5.800 -7.996 12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.913 -8.057 13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.161 -6.431 12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.284 -6.703 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.064 -8.365 11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.390 -7.014 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.539 -7.554 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.694 -5.354 14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.604 -4.811 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.932 -3.989 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.250 -5.044 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.807 -5.570 15.572 1.00 0.00 H new ATOM 152 N PRO A 10 5.006 -10.452 11.753 1.00 0.00 N ATOM 153 CA PRO A 10 4.683 -11.829 11.400 1.00 0.00 C ATOM 154 C PRO A 10 3.164 -12.027 11.285 1.00 0.00 C ATOM 155 O PRO A 10 2.412 -11.649 12.187 1.00 0.00 O ATOM 156 CB PRO A 10 5.338 -12.695 12.481 1.00 0.00 C ATOM 157 CG PRO A 10 6.538 -11.853 12.918 1.00 0.00 C ATOM 158 CD PRO A 10 5.991 -10.429 12.827 1.00 0.00 C ATOM 0 HA PRO A 10 5.065 -12.111 10.419 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.657 -12.888 13.310 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.647 -13.664 12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.861 -12.100 13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.397 -12.001 12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.536 -10.124 13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.788 -9.717 12.612 1.00 0.00 H new ATOM 166 N GLY A 11 2.725 -12.590 10.159 1.00 0.00 N ATOM 167 CA GLY A 11 1.332 -12.733 9.761 1.00 0.00 C ATOM 168 C GLY A 11 0.985 -11.861 8.549 1.00 0.00 C ATOM 169 O GLY A 11 -0.114 -11.990 8.007 1.00 0.00 O ATOM 0 H GLY A 11 3.367 -12.977 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.128 -13.778 9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.687 -12.463 10.597 1.00 0.00 H new ATOM 173 N ASP A 12 1.869 -10.947 8.133 1.00 0.00 N ATOM 174 CA ASP A 12 1.608 -10.016 7.036 1.00 0.00 C ATOM 175 C ASP A 12 1.903 -10.653 5.684 1.00 0.00 C ATOM 176 O ASP A 12 2.948 -11.285 5.498 1.00 0.00 O ATOM 177 CB ASP A 12 2.439 -8.732 7.183 1.00 0.00 C ATOM 178 CG ASP A 12 1.834 -7.721 8.167 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.605 -7.777 8.423 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.591 -6.838 8.629 1.00 0.00 O ATOM 0 H ASP A 12 2.792 -10.834 8.553 1.00 0.00 H new ATOM 0 HA ASP A 12 0.549 -9.762 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.443 -8.995 7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.540 -8.260 6.206 1.00 0.00 H new ATOM 185 N LEU A 13 0.992 -10.436 4.730 1.00 0.00 N ATOM 186 CA LEU A 13 1.196 -10.774 3.330 1.00 0.00 C ATOM 187 C LEU A 13 2.271 -9.859 2.764 1.00 0.00 C ATOM 188 O LEU A 13 2.212 -8.641 2.960 1.00 0.00 O ATOM 189 CB LEU A 13 -0.072 -10.557 2.481 1.00 0.00 C ATOM 190 CG LEU A 13 -1.348 -11.350 2.816 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.283 -11.320 1.603 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.021 -12.791 3.201 1.00 0.00 C ATOM 0 H LEU A 13 0.082 -10.015 4.918 1.00 0.00 H new ATOM 0 HA LEU A 13 1.473 -11.827 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.322 -9.497 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.186 -10.775 1.445 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.838 -10.887 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.191 -11.879 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.542 -10.287 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.783 -11.772 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.943 -13.324 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.515 -13.284 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.371 -12.795 4.076 1.00 0.00 H new ATOM 204 N ILE A 14 3.176 -10.428 1.974 1.00 0.00 N ATOM 205 CA ILE A 14 4.232 -9.715 1.279 1.00 0.00 C ATOM 206 C ILE A 14 4.037 -10.011 -0.203 1.00 0.00 C ATOM 207 O ILE A 14 4.048 -11.176 -0.612 1.00 0.00 O ATOM 208 CB ILE A 14 5.628 -10.180 1.763 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.826 -10.112 3.295 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.732 -9.390 1.036 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.721 -8.712 3.912 1.00 0.00 C ATOM 0 H ILE A 14 3.191 -11.432 1.797 1.00 0.00 H new ATOM 0 HA ILE A 14 4.182 -8.644 1.476 1.00 0.00 H new ATOM 0 HB ILE A 14 5.697 -11.238 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.085 -10.755 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.806 -10.524 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.709 -9.725 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.652 -9.558 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.617 -8.327 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.875 -8.777 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.480 -8.064 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.732 -8.299 3.711 1.00 0.00 H new ATOM 223 N GLU A 15 3.846 -8.968 -1.005 1.00 0.00 N ATOM 224 CA GLU A 15 3.929 -9.107 -2.447 1.00 0.00 C ATOM 225 C GLU A 15 5.388 -8.840 -2.811 1.00 0.00 C ATOM 226 O GLU A 15 6.068 -8.056 -2.143 1.00 0.00 O ATOM 227 CB GLU A 15 2.973 -8.154 -3.180 1.00 0.00 C ATOM 228 CG GLU A 15 3.376 -6.674 -3.106 1.00 0.00 C ATOM 229 CD GLU A 15 2.493 -5.787 -3.995 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.252 -5.937 -3.988 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.054 -4.911 -4.691 1.00 0.00 O ATOM 0 H GLU A 15 3.634 -8.025 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 15 3.620 -10.105 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.915 -8.451 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.973 -8.268 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.308 -6.332 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.417 -6.567 -3.410 1.00 0.00 H new ATOM 238 N ILE A 16 5.851 -9.440 -3.896 1.00 0.00 N ATOM 239 CA ILE A 16 7.197 -9.287 -4.416 1.00 0.00 C ATOM 240 C ILE A 16 7.002 -8.875 -5.862 1.00 0.00 C ATOM 241 O ILE A 16 6.470 -9.647 -6.659 1.00 0.00 O ATOM 242 CB ILE A 16 8.009 -10.589 -4.261 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.992 -11.059 -2.786 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.442 -10.372 -4.786 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.964 -12.197 -2.468 1.00 0.00 C ATOM 0 H ILE A 16 5.278 -10.069 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 16 7.779 -8.542 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 16 7.553 -11.381 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.226 -10.209 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.982 -11.380 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.014 -11.294 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.405 -10.092 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.922 -9.577 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.883 -12.460 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.719 -13.066 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.983 -11.877 -2.685 1.00 0.00 H new ATOM 257 N PHE A 17 7.371 -7.642 -6.185 1.00 0.00 N ATOM 258 CA PHE A 17 7.273 -7.144 -7.548 1.00 0.00 C ATOM 259 C PHE A 17 8.244 -7.932 -8.430 1.00 0.00 C ATOM 260 O PHE A 17 9.435 -8.024 -8.124 1.00 0.00 O ATOM 261 CB PHE A 17 7.542 -5.632 -7.591 1.00 0.00 C ATOM 262 CG PHE A 17 6.365 -4.845 -8.127 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.214 -4.658 -9.514 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.399 -4.332 -7.239 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.108 -3.947 -10.013 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.294 -3.621 -7.740 1.00 0.00 C ATOM 267 CZ PHE A 17 4.149 -3.426 -9.126 1.00 0.00 C ATOM 0 H PHE A 17 7.742 -6.967 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 17 6.263 -7.290 -7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.782 -5.281 -6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.416 -5.440 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.948 -5.061 -10.196 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.507 -4.485 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.995 -3.801 -11.077 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.555 -3.224 -7.060 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.302 -2.876 -9.508 1.00 0.00 H new ATOM 277 N ARG A 18 7.741 -8.494 -9.529 1.00 0.00 N ATOM 278 CA ARG A 18 8.510 -9.255 -10.509 1.00 0.00 C ATOM 279 C ARG A 18 8.565 -8.446 -11.814 1.00 0.00 C ATOM 280 O ARG A 18 7.832 -7.462 -11.934 1.00 0.00 O ATOM 281 CB ARG A 18 7.808 -10.612 -10.668 1.00 0.00 C ATOM 282 CG ARG A 18 8.086 -11.583 -9.506 1.00 0.00 C ATOM 283 CD ARG A 18 9.104 -12.659 -9.898 1.00 0.00 C ATOM 284 NE ARG A 18 10.489 -12.170 -9.935 1.00 0.00 N ATOM 285 CZ ARG A 18 11.420 -12.466 -10.851 1.00 0.00 C ATOM 286 NH1 ARG A 18 11.145 -13.246 -11.898 1.00 0.00 N ATOM 287 NH2 ARG A 18 12.633 -11.946 -10.715 1.00 0.00 N ATOM 0 H ARG A 18 6.752 -8.429 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 18 9.541 -9.434 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.733 -10.450 -10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.130 -11.073 -11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.459 -11.025 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.155 -12.058 -9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.038 -13.486 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.841 -13.057 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 18 10.771 -11.539 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.208 -13.632 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.872 -13.457 -12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.840 -11.335 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.358 -12.157 -11.400 1.00 0.00 H new ATOM 301 N PRO A 19 9.403 -8.830 -12.798 1.00 0.00 N ATOM 302 CA PRO A 19 9.682 -8.033 -13.996 1.00 0.00 C ATOM 303 C PRO A 19 8.468 -7.453 -14.731 1.00 0.00 C ATOM 304 O PRO A 19 8.566 -6.356 -15.287 1.00 0.00 O ATOM 305 CB PRO A 19 10.505 -8.948 -14.905 1.00 0.00 C ATOM 306 CG PRO A 19 11.296 -9.788 -13.907 1.00 0.00 C ATOM 307 CD PRO A 19 10.321 -9.962 -12.744 1.00 0.00 C ATOM 0 HA PRO A 19 10.209 -7.128 -13.692 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.870 -9.565 -15.540 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.160 -8.380 -15.565 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.590 -10.747 -14.333 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.211 -9.285 -13.593 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.780 -10.904 -12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.853 -9.985 -11.793 1.00 0.00 H new ATOM 315 N PHE A 20 7.332 -8.159 -14.732 1.00 0.00 N ATOM 316 CA PHE A 20 6.085 -7.700 -15.350 1.00 0.00 C ATOM 317 C PHE A 20 4.852 -8.203 -14.572 1.00 0.00 C ATOM 318 O PHE A 20 3.747 -8.248 -15.115 1.00 0.00 O ATOM 319 CB PHE A 20 6.082 -8.148 -16.827 1.00 0.00 C ATOM 320 CG PHE A 20 5.097 -7.418 -17.724 1.00 0.00 C ATOM 321 CD1 PHE A 20 5.283 -6.050 -18.005 1.00 0.00 C ATOM 322 CD2 PHE A 20 4.007 -8.104 -18.298 1.00 0.00 C ATOM 323 CE1 PHE A 20 4.379 -5.370 -18.843 1.00 0.00 C ATOM 324 CE2 PHE A 20 3.105 -7.423 -19.137 1.00 0.00 C ATOM 325 CZ PHE A 20 3.290 -6.055 -19.408 1.00 0.00 C ATOM 0 H PHE A 20 7.253 -9.078 -14.297 1.00 0.00 H new ATOM 0 HA PHE A 20 6.027 -6.612 -15.314 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.085 -8.015 -17.232 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.862 -9.215 -16.866 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.122 -5.521 -17.576 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.864 -9.155 -18.093 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.523 -4.320 -19.052 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.270 -7.951 -19.573 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.596 -5.532 -20.049 1.00 0.00 H new ATOM 335 N TYR A 21 5.029 -8.643 -13.320 1.00 0.00 N ATOM 336 CA TYR A 21 4.009 -9.341 -12.537 1.00 0.00 C ATOM 337 C TYR A 21 4.334 -9.217 -11.041 1.00 0.00 C ATOM 338 O TYR A 21 5.105 -8.340 -10.649 1.00 0.00 O ATOM 339 CB TYR A 21 3.886 -10.799 -13.033 1.00 0.00 C ATOM 340 CG TYR A 21 5.123 -11.682 -12.943 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.086 -11.679 -13.972 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.266 -12.581 -11.872 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.161 -12.586 -13.942 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.313 -13.515 -11.844 1.00 0.00 C ATOM 345 CZ TYR A 21 7.265 -13.529 -12.892 1.00 0.00 C ATOM 346 OH TYR A 21 8.299 -14.421 -12.883 1.00 0.00 O ATOM 0 H TYR A 21 5.906 -8.519 -12.814 1.00 0.00 H new ATOM 0 HA TYR A 21 3.029 -8.885 -12.676 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.088 -11.280 -12.467 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.567 -10.773 -14.075 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.998 -10.977 -14.788 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.558 -12.552 -11.057 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.908 -12.563 -14.722 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.392 -14.219 -11.028 1.00 0.00 H new ATOM 0 HH TYR A 21 8.226 -14.998 -12.094 1.00 0.00 H new ATOM 356 N ARG A 22 3.777 -10.085 -10.188 1.00 0.00 N ATOM 357 CA ARG A 22 4.131 -10.165 -8.771 1.00 0.00 C ATOM 358 C ARG A 22 4.148 -11.620 -8.318 1.00 0.00 C ATOM 359 O ARG A 22 3.460 -12.455 -8.906 1.00 0.00 O ATOM 360 CB ARG A 22 3.208 -9.286 -7.888 1.00 0.00 C ATOM 361 CG ARG A 22 1.691 -9.282 -8.169 1.00 0.00 C ATOM 362 CD ARG A 22 1.051 -10.676 -8.158 1.00 0.00 C ATOM 363 NE ARG A 22 -0.423 -10.630 -8.146 1.00 0.00 N ATOM 364 CZ ARG A 22 -1.249 -10.623 -9.198 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.795 -10.503 -10.444 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.546 -10.750 -8.962 1.00 0.00 N ATOM 0 H ARG A 22 3.062 -10.756 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 22 5.135 -9.760 -8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.351 -9.595 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.560 -8.257 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.195 -8.660 -7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.513 -8.819 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.385 -11.231 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.400 -11.224 -7.282 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.865 -10.600 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.206 -10.413 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.449 -10.501 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.883 -10.848 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.208 -10.749 -9.738 1.00 0.00 H new ATOM 380 N HIS A 23 4.901 -11.917 -7.269 1.00 0.00 N ATOM 381 CA HIS A 23 4.862 -13.184 -6.553 1.00 0.00 C ATOM 382 C HIS A 23 4.386 -12.860 -5.132 1.00 0.00 C ATOM 383 O HIS A 23 4.338 -11.683 -4.755 1.00 0.00 O ATOM 384 CB HIS A 23 6.255 -13.841 -6.591 1.00 0.00 C ATOM 385 CG HIS A 23 6.355 -15.137 -5.818 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.419 -16.175 -5.860 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.343 -15.465 -4.934 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.874 -17.107 -5.002 1.00 0.00 C ATOM 389 NE2 HIS A 23 7.024 -16.708 -4.434 1.00 0.00 N ATOM 0 H HIS A 23 5.578 -11.261 -6.880 1.00 0.00 H new ATOM 0 HA HIS A 23 4.180 -13.904 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.526 -14.030 -7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.986 -13.137 -6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.205 -14.867 -4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.382 -18.047 -4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.567 -17.235 -3.750 1.00 0.00 H new ATOM 397 N TRP A 24 4.039 -13.866 -4.331 1.00 0.00 N ATOM 398 CA TRP A 24 3.540 -13.672 -2.977 1.00 0.00 C ATOM 399 C TRP A 24 4.247 -14.589 -1.996 1.00 0.00 C ATOM 400 O TRP A 24 4.572 -15.734 -2.312 1.00 0.00 O ATOM 401 CB TRP A 24 2.040 -13.947 -2.919 1.00 0.00 C ATOM 402 CG TRP A 24 1.191 -12.908 -3.555 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.723 -12.921 -4.819 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.666 -11.700 -2.940 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.080 -11.818 -5.014 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.146 -11.023 -3.892 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.774 -11.134 -1.658 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.844 -9.846 -3.579 1.00 0.00 C ATOM 409 CZ3 TRP A 24 0.096 -9.942 -1.337 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.722 -9.308 -2.289 1.00 0.00 C ATOM 0 H TRP A 24 4.098 -14.846 -4.609 1.00 0.00 H new ATOM 0 HA TRP A 24 3.737 -12.636 -2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.841 -14.904 -3.402 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.744 -14.049 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.942 -13.675 -5.560 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.568 -11.615 -5.886 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.384 -11.619 -0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.465 -9.363 -4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.205 -9.512 -0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.256 -8.407 -2.027 1.00 0.00 H new ATOM 421 N ALA A 25 4.403 -14.081 -0.778 1.00 0.00 N ATOM 422 CA ALA A 25 4.915 -14.779 0.380 1.00 0.00 C ATOM 423 C ALA A 25 4.208 -14.213 1.616 1.00 0.00 C ATOM 424 O ALA A 25 3.460 -13.235 1.523 1.00 0.00 O ATOM 425 CB ALA A 25 6.432 -14.563 0.449 1.00 0.00 C ATOM 0 H ALA A 25 4.159 -13.113 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 25 4.728 -15.851 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.834 -15.084 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.897 -14.954 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.644 -13.497 0.534 1.00 0.00 H new ATOM 431 N ILE A 26 4.455 -14.793 2.783 1.00 0.00 N ATOM 432 CA ILE A 26 3.933 -14.315 4.053 1.00 0.00 C ATOM 433 C ILE A 26 5.076 -14.292 5.053 1.00 0.00 C ATOM 434 O ILE A 26 5.816 -15.266 5.161 1.00 0.00 O ATOM 435 CB ILE A 26 2.748 -15.201 4.468 1.00 0.00 C ATOM 436 CG1 ILE A 26 2.039 -14.653 5.715 1.00 0.00 C ATOM 437 CG2 ILE A 26 3.087 -16.697 4.573 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.672 -15.310 5.884 1.00 0.00 C ATOM 0 H ILE A 26 5.036 -15.626 2.873 1.00 0.00 H new ATOM 0 HA ILE A 26 3.544 -13.299 3.990 1.00 0.00 H new ATOM 0 HB ILE A 26 2.034 -15.148 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.650 -14.838 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.922 -13.573 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.197 -17.252 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.434 -17.060 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.870 -16.841 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.183 -14.910 6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.058 -15.103 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.797 -16.387 5.993 1.00 0.00 H new ATOM 450 N TYR A 27 5.251 -13.170 5.745 1.00 0.00 N ATOM 451 CA TYR A 27 6.269 -12.984 6.767 1.00 0.00 C ATOM 452 C TYR A 27 5.823 -13.767 8.001 1.00 0.00 C ATOM 453 O TYR A 27 4.694 -13.580 8.452 1.00 0.00 O ATOM 454 CB TYR A 27 6.379 -11.469 6.992 1.00 0.00 C ATOM 455 CG TYR A 27 7.443 -10.966 7.948 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.799 -11.318 7.786 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.081 -10.038 8.939 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.777 -10.753 8.624 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.049 -9.482 9.791 1.00 0.00 C ATOM 460 CZ TYR A 27 9.404 -9.847 9.645 1.00 0.00 C ATOM 461 OH TYR A 27 10.326 -9.309 10.487 1.00 0.00 O ATOM 0 H TYR A 27 4.671 -12.343 5.604 1.00 0.00 H new ATOM 0 HA TYR A 27 7.257 -13.356 6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.552 -10.999 6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.413 -11.114 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.086 -12.021 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.046 -9.749 9.047 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.817 -11.012 8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.757 -8.777 10.556 1.00 0.00 H new ATOM 0 HH TYR A 27 11.203 -9.710 10.311 1.00 0.00 H new ATOM 471 N VAL A 28 6.663 -14.660 8.533 1.00 0.00 N ATOM 472 CA VAL A 28 6.275 -15.591 9.609 1.00 0.00 C ATOM 473 C VAL A 28 7.327 -15.715 10.718 1.00 0.00 C ATOM 474 O VAL A 28 7.041 -16.280 11.773 1.00 0.00 O ATOM 475 CB VAL A 28 5.939 -16.988 9.044 1.00 0.00 C ATOM 476 CG1 VAL A 28 4.671 -16.974 8.181 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.106 -17.595 8.249 1.00 0.00 C ATOM 0 H VAL A 28 7.633 -14.762 8.233 1.00 0.00 H new ATOM 0 HA VAL A 28 5.383 -15.159 10.063 1.00 0.00 H new ATOM 0 HB VAL A 28 5.756 -17.620 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.475 -17.978 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.825 -16.640 8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.810 -16.294 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.819 -18.577 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.353 -16.944 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.976 -17.695 8.899 1.00 0.00 H new ATOM 487 N GLY A 29 8.525 -15.177 10.508 1.00 0.00 N ATOM 488 CA GLY A 29 9.592 -15.115 11.492 1.00 0.00 C ATOM 489 C GLY A 29 10.367 -13.839 11.220 1.00 0.00 C ATOM 490 O GLY A 29 10.196 -13.246 10.158 1.00 0.00 O ATOM 0 H GLY A 29 8.785 -14.758 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.185 -15.112 12.503 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.242 -15.986 11.413 1.00 0.00 H new ATOM 494 N ASP A 30 11.229 -13.427 12.147 1.00 0.00 N ATOM 495 CA ASP A 30 11.854 -12.097 12.142 1.00 0.00 C ATOM 496 C ASP A 30 12.606 -11.744 10.847 1.00 0.00 C ATOM 497 O ASP A 30 12.755 -10.563 10.527 1.00 0.00 O ATOM 498 CB ASP A 30 12.779 -11.969 13.356 1.00 0.00 C ATOM 499 CG ASP A 30 13.283 -10.529 13.532 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.559 -9.706 14.137 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.427 -10.234 13.121 1.00 0.00 O ATOM 0 H ASP A 30 11.519 -14.009 12.932 1.00 0.00 H new ATOM 0 HA ASP A 30 11.040 -11.375 12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.247 -12.281 14.254 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.629 -12.641 13.239 1.00 0.00 H new ATOM 506 N GLY A 31 13.024 -12.742 10.063 1.00 0.00 N ATOM 507 CA GLY A 31 13.559 -12.563 8.714 1.00 0.00 C ATOM 508 C GLY A 31 13.101 -13.646 7.734 1.00 0.00 C ATOM 509 O GLY A 31 13.723 -13.794 6.682 1.00 0.00 O ATOM 0 H GLY A 31 12.998 -13.718 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.254 -11.587 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.648 -12.561 8.760 1.00 0.00 H new ATOM 513 N TYR A 32 12.050 -14.418 8.045 1.00 0.00 N ATOM 514 CA TYR A 32 11.645 -15.591 7.266 1.00 0.00 C ATOM 515 C TYR A 32 10.230 -15.458 6.733 1.00 0.00 C ATOM 516 O TYR A 32 9.373 -14.798 7.331 1.00 0.00 O ATOM 517 CB TYR A 32 11.744 -16.867 8.111 1.00 0.00 C ATOM 518 CG TYR A 32 13.165 -17.328 8.333 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.928 -16.747 9.360 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.727 -18.312 7.497 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.258 -17.154 9.565 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.057 -18.724 7.695 1.00 0.00 C ATOM 523 CZ TYR A 32 15.828 -18.147 8.733 1.00 0.00 C ATOM 524 OH TYR A 32 17.119 -18.536 8.939 1.00 0.00 O ATOM 0 H TYR A 32 11.453 -14.242 8.853 1.00 0.00 H new ATOM 0 HA TYR A 32 12.329 -15.656 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.271 -16.692 9.077 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.183 -17.663 7.621 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.493 -15.987 9.992 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.138 -18.750 6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.844 -16.710 10.356 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.490 -19.480 7.056 1.00 0.00 H new ATOM 0 HH TYR A 32 17.361 -19.226 8.286 1.00 0.00 H new ATOM 534 N VAL A 33 9.981 -16.164 5.632 1.00 0.00 N ATOM 535 CA VAL A 33 8.705 -16.194 4.946 1.00 0.00 C ATOM 536 C VAL A 33 8.311 -17.622 4.581 1.00 0.00 C ATOM 537 O VAL A 33 9.164 -18.499 4.439 1.00 0.00 O ATOM 538 CB VAL A 33 8.740 -15.326 3.668 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.858 -13.832 3.964 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.856 -15.733 2.693 1.00 0.00 C ATOM 0 H VAL A 33 10.688 -16.747 5.184 1.00 0.00 H new ATOM 0 HA VAL A 33 7.961 -15.786 5.630 1.00 0.00 H new ATOM 0 HB VAL A 33 7.778 -15.513 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.878 -13.276 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.003 -13.510 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.777 -13.642 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.827 -15.086 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.823 -15.634 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.710 -16.768 2.385 1.00 0.00 H new ATOM 550 N VAL A 34 7.014 -17.829 4.372 1.00 0.00 N ATOM 551 CA VAL A 34 6.432 -19.014 3.765 1.00 0.00 C ATOM 552 C VAL A 34 5.893 -18.568 2.407 1.00 0.00 C ATOM 553 O VAL A 34 5.417 -17.440 2.264 1.00 0.00 O ATOM 554 CB VAL A 34 5.373 -19.600 4.722 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.307 -20.469 4.046 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.102 -20.404 5.796 1.00 0.00 C ATOM 0 H VAL A 34 6.310 -17.140 4.635 1.00 0.00 H new ATOM 0 HA VAL A 34 7.143 -19.824 3.599 1.00 0.00 H new ATOM 0 HB VAL A 34 4.822 -18.759 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.607 -20.836 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.768 -19.875 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.786 -21.315 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.375 -20.830 6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.670 -21.207 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.782 -19.750 6.342 1.00 0.00 H new ATOM 566 N HIS A 35 5.993 -19.427 1.394 1.00 0.00 N ATOM 567 CA HIS A 35 5.520 -19.155 0.037 1.00 0.00 C ATOM 568 C HIS A 35 5.378 -20.467 -0.739 1.00 0.00 C ATOM 569 O HIS A 35 5.748 -21.524 -0.224 1.00 0.00 O ATOM 570 CB HIS A 35 6.470 -18.174 -0.676 1.00 0.00 C ATOM 571 CG HIS A 35 7.813 -18.715 -1.122 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.492 -18.282 -2.265 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.570 -19.662 -0.490 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.634 -18.991 -2.300 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.708 -19.823 -1.247 1.00 0.00 N ATOM 0 H HIS A 35 6.414 -20.351 1.495 1.00 0.00 H new ATOM 0 HA HIS A 35 4.538 -18.684 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.955 -17.782 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.650 -17.331 -0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.323 -20.182 0.424 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.388 -18.904 -3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.475 -20.463 -1.044 1.00 0.00 H new ATOM 583 N LEU A 36 4.849 -20.424 -1.963 1.00 0.00 N ATOM 584 CA LEU A 36 4.862 -21.583 -2.857 1.00 0.00 C ATOM 585 C LEU A 36 6.215 -21.624 -3.566 1.00 0.00 C ATOM 586 O LEU A 36 6.733 -20.579 -3.967 1.00 0.00 O ATOM 587 CB LEU A 36 3.750 -21.504 -3.924 1.00 0.00 C ATOM 588 CG LEU A 36 2.327 -21.904 -3.494 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.246 -23.355 -3.016 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.766 -20.987 -2.412 1.00 0.00 C ATOM 0 H LEU A 36 4.405 -19.596 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 36 4.691 -22.478 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.714 -20.481 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.040 -22.139 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 36 1.718 -21.798 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.221 -23.585 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.553 -24.021 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.906 -23.493 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.761 -21.312 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.407 -21.029 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.729 -19.964 -2.786 1.00 0.00 H new ATOM 602 N ALA A 37 6.737 -22.829 -3.800 1.00 0.00 N ATOM 603 CA ALA A 37 7.923 -23.078 -4.608 1.00 0.00 C ATOM 604 C ALA A 37 7.685 -24.325 -5.475 1.00 0.00 C ATOM 605 O ALA A 37 6.787 -25.117 -5.164 1.00 0.00 O ATOM 606 CB ALA A 37 9.129 -23.277 -3.681 1.00 0.00 C ATOM 0 H ALA A 37 6.330 -23.683 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 37 8.124 -22.230 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.021 -23.464 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.277 -22.380 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.947 -24.128 -3.025 1.00 0.00 H new ATOM 612 N PRO A 38 8.448 -24.524 -6.566 1.00 0.00 N ATOM 613 CA PRO A 38 8.446 -25.785 -7.298 1.00 0.00 C ATOM 614 C PRO A 38 8.800 -26.964 -6.368 1.00 0.00 C ATOM 615 O PRO A 38 9.466 -26.751 -5.347 1.00 0.00 O ATOM 616 CB PRO A 38 9.492 -25.628 -8.410 1.00 0.00 C ATOM 617 CG PRO A 38 9.620 -24.116 -8.582 1.00 0.00 C ATOM 618 CD PRO A 38 9.393 -23.593 -7.165 1.00 0.00 C ATOM 0 HA PRO A 38 7.460 -26.004 -7.709 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.443 -26.080 -8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.169 -26.109 -9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.601 -23.834 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.881 -23.725 -9.281 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.326 -23.561 -6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.993 -22.579 -7.178 1.00 0.00 H new ATOM 626 N PRO A 39 8.404 -28.204 -6.709 1.00 0.00 N ATOM 627 CA PRO A 39 8.806 -29.400 -5.970 1.00 0.00 C ATOM 628 C PRO A 39 10.325 -29.476 -5.763 1.00 0.00 C ATOM 629 O PRO A 39 11.100 -29.081 -6.641 1.00 0.00 O ATOM 630 CB PRO A 39 8.292 -30.589 -6.790 1.00 0.00 C ATOM 631 CG PRO A 39 7.114 -29.995 -7.557 1.00 0.00 C ATOM 632 CD PRO A 39 7.580 -28.573 -7.849 1.00 0.00 C ATOM 0 HA PRO A 39 8.385 -29.392 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.057 -30.976 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.982 -31.416 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.908 -30.549 -8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.199 -30.007 -6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.148 -28.527 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.733 -27.895 -7.960 1.00 0.00 H new ATOM 640 N SER A 40 10.743 -30.005 -4.611 1.00 0.00 N ATOM 641 CA SER A 40 12.146 -30.181 -4.260 1.00 0.00 C ATOM 642 C SER A 40 12.868 -31.086 -5.266 1.00 0.00 C ATOM 643 O SER A 40 12.260 -31.959 -5.895 1.00 0.00 O ATOM 644 CB SER A 40 12.244 -30.785 -2.853 1.00 0.00 C ATOM 645 OG SER A 40 11.423 -30.072 -1.938 1.00 0.00 O ATOM 0 H SER A 40 10.102 -30.327 -3.886 1.00 0.00 H new ATOM 0 HA SER A 40 12.631 -29.205 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.941 -31.832 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.280 -30.761 -2.514 1.00 0.00 H new ATOM 0 HG SER A 40 11.499 -30.475 -1.048 1.00 0.00 H new ATOM 651 N GLU A 41 14.186 -30.915 -5.366 1.00 0.00 N ATOM 652 CA GLU A 41 15.085 -31.765 -6.132 1.00 0.00 C ATOM 653 C GLU A 41 16.468 -31.719 -5.469 1.00 0.00 C ATOM 654 O GLU A 41 16.741 -30.838 -4.646 1.00 0.00 O ATOM 655 CB GLU A 41 15.135 -31.313 -7.607 1.00 0.00 C ATOM 656 CG GLU A 41 15.706 -29.900 -7.821 1.00 0.00 C ATOM 657 CD GLU A 41 15.715 -29.515 -9.311 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.683 -29.856 -10.027 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.766 -28.844 -9.778 1.00 0.00 O ATOM 0 H GLU A 41 14.671 -30.150 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 41 14.726 -32.794 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.738 -32.024 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.127 -31.351 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.112 -29.178 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.721 -29.853 -7.426 1.00 0.00 H new ATOM 666 N VAL A 42 17.344 -32.647 -5.858 1.00 0.00 N ATOM 667 CA VAL A 42 18.746 -32.692 -5.431 1.00 0.00 C ATOM 668 C VAL A 42 19.634 -32.894 -6.664 1.00 0.00 C ATOM 669 O VAL A 42 20.636 -32.196 -6.830 1.00 0.00 O ATOM 670 CB VAL A 42 18.964 -33.803 -4.373 1.00 0.00 C ATOM 671 CG1 VAL A 42 20.370 -33.721 -3.759 1.00 0.00 C ATOM 672 CG2 VAL A 42 17.944 -33.744 -3.221 1.00 0.00 C ATOM 0 H VAL A 42 17.094 -33.405 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 42 19.018 -31.750 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 42 18.834 -34.741 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 42 20.491 -34.514 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 42 21.117 -33.839 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.500 -32.752 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.148 -34.547 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.024 -32.783 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.937 -33.860 -3.621 1.00 0.00 H new ATOM 682 N ALA A 43 19.232 -33.807 -7.551 1.00 0.00 N ATOM 683 CA ALA A 43 19.882 -34.114 -8.815 1.00 0.00 C ATOM 684 C ALA A 43 18.837 -34.723 -9.755 1.00 0.00 C ATOM 685 O ALA A 43 17.818 -35.250 -9.295 1.00 0.00 O ATOM 686 CB ALA A 43 21.019 -35.112 -8.559 1.00 0.00 C ATOM 0 H ALA A 43 18.402 -34.378 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 43 20.299 -33.215 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 21.514 -35.349 -9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 43 21.741 -34.672 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 43 20.611 -36.024 -8.123 1.00 0.00 H new ATOM 692 N GLY A 44 19.098 -34.681 -11.059 1.00 0.00 N ATOM 693 CA GLY A 44 18.252 -35.262 -12.092 1.00 0.00 C ATOM 694 C GLY A 44 18.744 -34.835 -13.473 1.00 0.00 C ATOM 695 O GLY A 44 19.615 -33.965 -13.585 1.00 0.00 O ATOM 0 H GLY A 44 19.930 -34.227 -11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.263 -36.349 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.220 -34.942 -11.950 1.00 0.00 H new ATOM 699 N ALA A 45 18.190 -35.443 -14.526 1.00 0.00 N ATOM 700 CA ALA A 45 18.537 -35.109 -15.906 1.00 0.00 C ATOM 701 C ALA A 45 18.030 -33.714 -16.298 1.00 0.00 C ATOM 702 O ALA A 45 18.655 -33.036 -17.116 1.00 0.00 O ATOM 703 CB ALA A 45 17.960 -36.170 -16.851 1.00 0.00 C ATOM 0 H ALA A 45 17.489 -36.180 -14.444 1.00 0.00 H new ATOM 0 HA ALA A 45 19.624 -35.096 -15.990 1.00 0.00 H new ATOM 0 HB1 ALA A 45 18.219 -35.920 -17.880 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.375 -37.146 -16.599 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.875 -36.199 -16.747 1.00 0.00 H new ATOM 709 N GLY A 46 16.902 -33.290 -15.725 1.00 0.00 N ATOM 710 CA GLY A 46 16.231 -32.033 -16.022 1.00 0.00 C ATOM 711 C GLY A 46 14.759 -32.121 -15.625 1.00 0.00 C ATOM 712 O GLY A 46 14.344 -33.078 -14.962 1.00 0.00 O ATOM 0 H GLY A 46 16.416 -33.837 -15.015 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.713 -31.217 -15.483 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.317 -31.808 -17.085 1.00 0.00 H new ATOM 716 N ALA A 47 13.969 -31.125 -16.037 1.00 0.00 N ATOM 717 CA ALA A 47 12.512 -31.161 -15.938 1.00 0.00 C ATOM 718 C ALA A 47 11.941 -32.291 -16.814 1.00 0.00 C ATOM 719 O ALA A 47 12.646 -32.852 -17.662 1.00 0.00 O ATOM 720 CB ALA A 47 11.942 -29.800 -16.360 1.00 0.00 C ATOM 0 H ALA A 47 14.329 -30.265 -16.452 1.00 0.00 H new ATOM 0 HA ALA A 47 12.223 -31.362 -14.906 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.855 -29.823 -16.288 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.333 -29.022 -15.704 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.233 -29.587 -17.389 1.00 0.00 H new ATOM 726 N ALA A 48 10.654 -32.606 -16.628 1.00 0.00 N ATOM 727 CA ALA A 48 9.966 -33.636 -17.405 1.00 0.00 C ATOM 728 C ALA A 48 10.019 -33.331 -18.906 1.00 0.00 C ATOM 729 O ALA A 48 10.001 -32.166 -19.316 1.00 0.00 O ATOM 730 CB ALA A 48 8.504 -33.759 -16.964 1.00 0.00 C ATOM 0 H ALA A 48 10.062 -32.152 -15.933 1.00 0.00 H new ATOM 0 HA ALA A 48 10.481 -34.579 -17.222 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.010 -34.531 -17.554 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.464 -34.028 -15.908 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.997 -32.806 -17.115 1.00 0.00 H new ATOM 736 N SER A 49 10.017 -34.387 -19.718 1.00 0.00 N ATOM 737 CA SER A 49 9.857 -34.305 -21.163 1.00 0.00 C ATOM 738 C SER A 49 8.444 -33.830 -21.530 1.00 0.00 C ATOM 739 O SER A 49 8.279 -33.061 -22.480 1.00 0.00 O ATOM 740 CB SER A 49 10.156 -35.689 -21.760 1.00 0.00 C ATOM 741 OG SER A 49 9.604 -36.728 -20.959 1.00 0.00 O ATOM 0 H SER A 49 10.129 -35.342 -19.379 1.00 0.00 H new ATOM 0 HA SER A 49 10.553 -33.574 -21.575 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.747 -35.748 -22.769 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.234 -35.826 -21.844 1.00 0.00 H new ATOM 0 HG SER A 49 9.808 -37.597 -21.364 1.00 0.00 H new ATOM 747 N VAL A 50 7.429 -34.276 -20.780 1.00 0.00 N ATOM 748 CA VAL A 50 6.042 -33.868 -20.982 1.00 0.00 C ATOM 749 C VAL A 50 5.854 -32.384 -20.637 1.00 0.00 C ATOM 750 O VAL A 50 6.615 -31.816 -19.846 1.00 0.00 O ATOM 751 CB VAL A 50 5.068 -34.787 -20.211 1.00 0.00 C ATOM 752 CG1 VAL A 50 5.063 -36.199 -20.815 1.00 0.00 C ATOM 753 CG2 VAL A 50 5.375 -34.882 -18.710 1.00 0.00 C ATOM 0 H VAL A 50 7.553 -34.935 -20.011 1.00 0.00 H new ATOM 0 HA VAL A 50 5.800 -33.981 -22.039 1.00 0.00 H new ATOM 0 HB VAL A 50 4.085 -34.327 -20.313 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.371 -36.831 -20.258 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.749 -36.148 -21.857 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.066 -36.622 -20.759 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.652 -35.543 -18.232 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.380 -35.280 -18.569 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.311 -33.890 -18.262 1.00 0.00 H new ATOM 763 N MET A 51 4.804 -31.767 -21.190 1.00 0.00 N ATOM 764 CA MET A 51 4.514 -30.342 -21.019 1.00 0.00 C ATOM 765 C MET A 51 4.266 -29.954 -19.554 1.00 0.00 C ATOM 766 O MET A 51 4.372 -28.776 -19.210 1.00 0.00 O ATOM 767 CB MET A 51 3.315 -29.931 -21.891 1.00 0.00 C ATOM 768 CG MET A 51 3.601 -30.079 -23.391 1.00 0.00 C ATOM 769 SD MET A 51 2.229 -29.556 -24.456 1.00 0.00 S ATOM 770 CE MET A 51 2.967 -29.885 -26.081 1.00 0.00 C ATOM 0 H MET A 51 4.124 -32.251 -21.776 1.00 0.00 H new ATOM 0 HA MET A 51 5.402 -29.800 -21.342 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.452 -30.542 -21.627 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.051 -28.896 -21.675 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.486 -29.494 -23.642 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.837 -31.121 -23.605 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.257 -29.619 -26.864 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.873 -29.290 -26.196 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.215 -30.943 -26.160 1.00 0.00 H new ATOM 780 N SER A 52 3.976 -30.927 -18.683 1.00 0.00 N ATOM 781 CA SER A 52 3.873 -30.750 -17.240 1.00 0.00 C ATOM 782 C SER A 52 5.162 -30.183 -16.618 1.00 0.00 C ATOM 783 O SER A 52 5.099 -29.566 -15.553 1.00 0.00 O ATOM 784 CB SER A 52 3.518 -32.103 -16.605 1.00 0.00 C ATOM 785 OG SER A 52 2.537 -32.786 -17.375 1.00 0.00 O ATOM 0 H SER A 52 3.802 -31.888 -18.978 1.00 0.00 H new ATOM 0 HA SER A 52 3.091 -30.018 -17.040 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.415 -32.717 -16.525 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.147 -31.947 -15.592 1.00 0.00 H new ATOM 0 HG SER A 52 2.329 -33.645 -16.952 1.00 0.00 H new ATOM 791 N ALA A 53 6.318 -30.370 -17.276 1.00 0.00 N ATOM 792 CA ALA A 53 7.622 -29.806 -16.924 1.00 0.00 C ATOM 793 C ALA A 53 7.959 -29.893 -15.424 1.00 0.00 C ATOM 794 O ALA A 53 8.572 -28.977 -14.876 1.00 0.00 O ATOM 795 CB ALA A 53 7.719 -28.379 -17.488 1.00 0.00 C ATOM 0 H ALA A 53 6.365 -30.951 -18.113 1.00 0.00 H new ATOM 0 HA ALA A 53 8.393 -30.421 -17.388 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.688 -27.951 -17.230 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.612 -28.408 -18.572 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.926 -27.765 -17.062 1.00 0.00 H new ATOM 801 N LEU A 54 7.540 -30.975 -14.747 1.00 0.00 N ATOM 802 CA LEU A 54 7.714 -31.227 -13.307 1.00 0.00 C ATOM 803 C LEU A 54 7.158 -30.108 -12.396 1.00 0.00 C ATOM 804 O LEU A 54 7.391 -30.116 -11.189 1.00 0.00 O ATOM 805 CB LEU A 54 9.202 -31.556 -13.054 1.00 0.00 C ATOM 806 CG LEU A 54 9.585 -32.145 -11.678 1.00 0.00 C ATOM 807 CD1 LEU A 54 8.749 -33.374 -11.298 1.00 0.00 C ATOM 808 CD2 LEU A 54 11.068 -32.538 -11.703 1.00 0.00 C ATOM 0 H LEU A 54 7.046 -31.736 -15.213 1.00 0.00 H new ATOM 0 HA LEU A 54 7.103 -32.084 -13.024 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.525 -32.260 -13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.777 -30.641 -13.199 1.00 0.00 H new ATOM 0 HG LEU A 54 9.388 -31.378 -10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.065 -33.741 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.695 -33.099 -11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.892 -34.156 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.350 -32.955 -10.736 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.234 -33.282 -12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.675 -31.656 -11.908 1.00 0.00 H new ATOM 820 N THR A 55 6.392 -29.165 -12.946 1.00 0.00 N ATOM 821 CA THR A 55 5.979 -27.931 -12.267 1.00 0.00 C ATOM 822 C THR A 55 4.487 -27.639 -12.458 1.00 0.00 C ATOM 823 O THR A 55 3.969 -26.582 -12.104 1.00 0.00 O ATOM 824 CB THR A 55 6.892 -26.780 -12.737 1.00 0.00 C ATOM 825 OG1 THR A 55 8.251 -27.177 -12.830 1.00 0.00 O ATOM 826 CG2 THR A 55 6.874 -25.547 -11.821 1.00 0.00 C ATOM 0 H THR A 55 6.032 -29.237 -13.898 1.00 0.00 H new ATOM 0 HA THR A 55 6.100 -28.047 -11.190 1.00 0.00 H new ATOM 0 HB THR A 55 6.479 -26.520 -13.711 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.373 -27.745 -13.619 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.542 -24.785 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.861 -25.149 -11.767 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.206 -25.831 -10.822 1.00 0.00 H new ATOM 834 N ASP A 56 3.770 -28.633 -12.962 1.00 0.00 N ATOM 835 CA ASP A 56 2.303 -28.649 -13.011 1.00 0.00 C ATOM 836 C ASP A 56 1.644 -28.869 -11.646 1.00 0.00 C ATOM 837 O ASP A 56 0.421 -28.862 -11.513 1.00 0.00 O ATOM 838 CB ASP A 56 1.766 -29.652 -14.040 1.00 0.00 C ATOM 839 CG ASP A 56 1.600 -31.070 -13.460 1.00 0.00 C ATOM 840 OD1 ASP A 56 2.584 -31.622 -12.920 1.00 0.00 O ATOM 841 OD2 ASP A 56 0.497 -31.648 -13.577 1.00 0.00 O ATOM 0 H ASP A 56 4.194 -29.472 -13.358 1.00 0.00 H new ATOM 0 HA ASP A 56 2.024 -27.646 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.804 -29.302 -14.414 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.444 -29.690 -14.892 1.00 0.00 H new ATOM 846 N LYS A 57 2.485 -29.019 -10.635 1.00 0.00 N ATOM 847 CA LYS A 57 2.212 -29.073 -9.216 1.00 0.00 C ATOM 848 C LYS A 57 3.240 -28.171 -8.531 1.00 0.00 C ATOM 849 O LYS A 57 4.244 -27.802 -9.151 1.00 0.00 O ATOM 850 CB LYS A 57 2.264 -30.538 -8.753 1.00 0.00 C ATOM 851 CG LYS A 57 3.664 -31.113 -8.478 1.00 0.00 C ATOM 852 CD LYS A 57 3.566 -32.509 -7.846 1.00 0.00 C ATOM 853 CE LYS A 57 4.968 -33.069 -7.565 1.00 0.00 C ATOM 854 NZ LYS A 57 4.924 -34.312 -6.757 1.00 0.00 N ATOM 0 H LYS A 57 3.484 -29.116 -10.814 1.00 0.00 H new ATOM 0 HA LYS A 57 1.217 -28.711 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.670 -30.631 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.783 -31.155 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.228 -31.169 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.212 -30.446 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.996 -32.456 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.026 -33.180 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.473 -33.270 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.559 -32.318 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.882 -34.709 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.559 -34.096 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.300 -35.004 -7.218 1.00 0.00 H new ATOM 868 N ALA A 58 3.033 -27.850 -7.262 1.00 0.00 N ATOM 869 CA ALA A 58 3.937 -27.013 -6.479 1.00 0.00 C ATOM 870 C ALA A 58 3.897 -27.481 -5.036 1.00 0.00 C ATOM 871 O ALA A 58 3.194 -28.435 -4.711 1.00 0.00 O ATOM 872 CB ALA A 58 3.537 -25.538 -6.626 1.00 0.00 C ATOM 0 H ALA A 58 2.219 -28.168 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 58 4.962 -27.102 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.215 -24.917 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.595 -25.248 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.517 -25.400 -6.268 1.00 0.00 H new ATOM 878 N ILE A 59 4.654 -26.840 -4.155 1.00 0.00 N ATOM 879 CA ILE A 59 4.676 -27.194 -2.747 1.00 0.00 C ATOM 880 C ILE A 59 4.780 -25.911 -1.931 1.00 0.00 C ATOM 881 O ILE A 59 5.299 -24.901 -2.412 1.00 0.00 O ATOM 882 CB ILE A 59 5.807 -28.206 -2.454 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.212 -27.569 -2.456 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.775 -29.437 -3.391 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.259 -28.572 -1.980 1.00 0.00 C ATOM 0 H ILE A 59 5.268 -26.062 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 59 3.754 -27.700 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 59 5.605 -28.552 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.460 -27.226 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.220 -26.692 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.593 -30.110 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.825 -29.959 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.884 -29.110 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.243 -28.103 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.020 -28.894 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.263 -29.436 -2.644 1.00 0.00 H new ATOM 897 N VAL A 60 4.291 -25.942 -0.696 1.00 0.00 N ATOM 898 CA VAL A 60 4.466 -24.845 0.238 1.00 0.00 C ATOM 899 C VAL A 60 5.868 -25.012 0.833 1.00 0.00 C ATOM 900 O VAL A 60 6.295 -26.127 1.143 1.00 0.00 O ATOM 901 CB VAL A 60 3.347 -24.893 1.291 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.471 -23.754 2.313 1.00 0.00 C ATOM 903 CG2 VAL A 60 1.950 -24.811 0.649 1.00 0.00 C ATOM 0 H VAL A 60 3.763 -26.729 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 60 4.393 -23.864 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 60 3.461 -25.852 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.660 -23.826 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.428 -23.831 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.413 -22.795 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.189 -24.848 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.858 -23.876 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.813 -25.651 -0.033 1.00 0.00 H new ATOM 913 N LYS A 61 6.591 -23.908 0.998 1.00 0.00 N ATOM 914 CA LYS A 61 8.007 -23.874 1.345 1.00 0.00 C ATOM 915 C LYS A 61 8.220 -22.742 2.349 1.00 0.00 C ATOM 916 O LYS A 61 7.408 -21.816 2.402 1.00 0.00 O ATOM 917 CB LYS A 61 8.786 -23.632 0.033 1.00 0.00 C ATOM 918 CG LYS A 61 10.273 -24.021 0.048 1.00 0.00 C ATOM 919 CD LYS A 61 10.467 -25.546 0.098 1.00 0.00 C ATOM 920 CE LYS A 61 11.911 -25.979 -0.207 1.00 0.00 C ATOM 921 NZ LYS A 61 12.901 -25.490 0.784 1.00 0.00 N ATOM 0 H LYS A 61 6.190 -22.976 0.889 1.00 0.00 H new ATOM 0 HA LYS A 61 8.354 -24.801 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.294 -24.187 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.710 -22.575 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.762 -23.622 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.759 -23.565 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.185 -25.910 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.794 -26.016 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.955 -27.067 -0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.189 -25.615 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.798 -26.002 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.061 -24.472 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.539 -25.653 1.745 1.00 0.00 H new ATOM 935 N LYS A 62 9.315 -22.778 3.109 1.00 0.00 N ATOM 936 CA LYS A 62 9.702 -21.724 4.046 1.00 0.00 C ATOM 937 C LYS A 62 11.158 -21.385 3.763 1.00 0.00 C ATOM 938 O LYS A 62 11.957 -22.296 3.542 1.00 0.00 O ATOM 939 CB LYS A 62 9.501 -22.216 5.488 1.00 0.00 C ATOM 940 CG LYS A 62 9.827 -21.144 6.541 1.00 0.00 C ATOM 941 CD LYS A 62 9.521 -21.664 7.949 1.00 0.00 C ATOM 942 CE LYS A 62 9.843 -20.595 9.000 1.00 0.00 C ATOM 943 NZ LYS A 62 9.501 -21.061 10.365 1.00 0.00 N ATOM 0 H LYS A 62 9.972 -23.558 3.090 1.00 0.00 H new ATOM 0 HA LYS A 62 9.089 -20.831 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.468 -22.539 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.131 -23.089 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.878 -20.865 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.244 -20.244 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.470 -21.945 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.105 -22.563 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.903 -20.344 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.290 -19.683 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.761 -20.330 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.479 -21.244 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.022 -21.936 10.574 1.00 0.00 H new ATOM 957 N GLU A 63 11.500 -20.100 3.735 1.00 0.00 N ATOM 958 CA GLU A 63 12.800 -19.601 3.307 1.00 0.00 C ATOM 959 C GLU A 63 13.073 -18.275 4.019 1.00 0.00 C ATOM 960 O GLU A 63 12.151 -17.609 4.495 1.00 0.00 O ATOM 961 CB GLU A 63 12.793 -19.359 1.784 1.00 0.00 C ATOM 962 CG GLU A 63 12.681 -20.604 0.887 1.00 0.00 C ATOM 963 CD GLU A 63 13.801 -21.648 1.075 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.909 -21.315 1.556 1.00 0.00 O ATOM 965 OE2 GLU A 63 13.585 -22.818 0.684 1.00 0.00 O ATOM 0 H GLU A 63 10.861 -19.357 4.018 1.00 0.00 H new ATOM 0 HA GLU A 63 13.571 -20.332 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.962 -18.694 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.709 -18.830 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.722 -21.085 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.676 -20.283 -0.155 1.00 0.00 H new ATOM 972 N LEU A 64 14.342 -17.872 4.088 1.00 0.00 N ATOM 973 CA LEU A 64 14.735 -16.535 4.525 1.00 0.00 C ATOM 974 C LEU A 64 14.231 -15.531 3.482 1.00 0.00 C ATOM 975 O LEU A 64 14.451 -15.740 2.288 1.00 0.00 O ATOM 976 CB LEU A 64 16.270 -16.494 4.634 1.00 0.00 C ATOM 977 CG LEU A 64 16.814 -15.201 5.268 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.674 -15.222 6.794 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.295 -15.034 4.911 1.00 0.00 C ATOM 0 H LEU A 64 15.131 -18.470 3.840 1.00 0.00 H new ATOM 0 HA LEU A 64 14.308 -16.285 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.606 -17.346 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.699 -16.608 3.638 1.00 0.00 H new ATOM 0 HG LEU A 64 16.231 -14.368 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.068 -14.294 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.622 -15.321 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.232 -16.066 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.677 -14.118 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.859 -15.887 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.404 -14.979 3.828 1.00 0.00 H new ATOM 991 N LEU A 65 13.591 -14.436 3.908 1.00 0.00 N ATOM 992 CA LEU A 65 12.936 -13.481 3.006 1.00 0.00 C ATOM 993 C LEU A 65 13.895 -12.987 1.936 1.00 0.00 C ATOM 994 O LEU A 65 13.549 -12.961 0.758 1.00 0.00 O ATOM 995 CB LEU A 65 12.352 -12.296 3.802 1.00 0.00 C ATOM 996 CG LEU A 65 11.466 -11.363 2.937 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.454 -10.628 3.830 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.237 -10.258 2.197 1.00 0.00 C ATOM 0 H LEU A 65 13.512 -14.186 4.894 1.00 0.00 H new ATOM 0 HA LEU A 65 12.118 -14.000 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.762 -12.680 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.169 -11.716 4.232 1.00 0.00 H new ATOM 0 HG LEU A 65 11.005 -12.026 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.835 -9.974 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.821 -11.356 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.988 -10.032 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.540 -9.653 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.751 -9.625 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.968 -10.711 1.527 1.00 0.00 H new ATOM 1010 N TYR A 66 15.103 -12.608 2.340 1.00 0.00 N ATOM 1011 CA TYR A 66 16.052 -11.934 1.467 1.00 0.00 C ATOM 1012 C TYR A 66 16.540 -12.864 0.350 1.00 0.00 C ATOM 1013 O TYR A 66 16.897 -12.384 -0.725 1.00 0.00 O ATOM 1014 CB TYR A 66 17.187 -11.348 2.324 1.00 0.00 C ATOM 1015 CG TYR A 66 16.648 -10.700 3.593 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.843 -9.549 3.505 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.773 -11.372 4.825 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.130 -9.095 4.630 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.049 -10.936 5.948 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.210 -9.805 5.850 1.00 0.00 C ATOM 1021 OH TYR A 66 14.484 -9.414 6.934 1.00 0.00 O ATOM 0 H TYR A 66 15.451 -12.761 3.287 1.00 0.00 H new ATOM 0 HA TYR A 66 15.566 -11.106 0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.891 -12.138 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.739 -10.610 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.772 -9.012 2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.428 -12.226 4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.522 -8.205 4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.135 -11.466 6.885 1.00 0.00 H new ATOM 0 HH TYR A 66 13.613 -9.863 6.923 1.00 0.00 H new ATOM 1031 N ASP A 67 16.492 -14.188 0.557 1.00 0.00 N ATOM 1032 CA ASP A 67 16.776 -15.163 -0.495 1.00 0.00 C ATOM 1033 C ASP A 67 15.607 -15.266 -1.478 1.00 0.00 C ATOM 1034 O ASP A 67 15.832 -15.380 -2.683 1.00 0.00 O ATOM 1035 CB ASP A 67 17.064 -16.541 0.108 1.00 0.00 C ATOM 1036 CG ASP A 67 17.363 -17.562 -1.002 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.484 -17.539 -1.561 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.495 -18.410 -1.306 1.00 0.00 O ATOM 0 H ASP A 67 16.256 -14.607 1.456 1.00 0.00 H new ATOM 0 HA ASP A 67 17.658 -14.819 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.913 -16.476 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.208 -16.874 0.695 1.00 0.00 H new ATOM 1043 N VAL A 68 14.362 -15.180 -0.988 1.00 0.00 N ATOM 1044 CA VAL A 68 13.169 -15.170 -1.835 1.00 0.00 C ATOM 1045 C VAL A 68 13.158 -13.897 -2.692 1.00 0.00 C ATOM 1046 O VAL A 68 12.912 -13.975 -3.897 1.00 0.00 O ATOM 1047 CB VAL A 68 11.882 -15.316 -0.984 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.632 -15.399 -1.872 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.934 -16.605 -0.153 1.00 0.00 C ATOM 0 H VAL A 68 14.158 -15.115 0.009 1.00 0.00 H new ATOM 0 HA VAL A 68 13.195 -16.028 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 68 11.827 -14.438 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.746 -15.501 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.550 -14.492 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.711 -16.263 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.023 -16.693 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.019 -17.464 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.797 -16.575 0.512 1.00 0.00 H new ATOM 1059 N ALA A 69 13.446 -12.738 -2.089 1.00 0.00 N ATOM 1060 CA ALA A 69 13.488 -11.466 -2.793 1.00 0.00 C ATOM 1061 C ALA A 69 14.620 -11.464 -3.823 1.00 0.00 C ATOM 1062 O ALA A 69 14.382 -11.157 -4.991 1.00 0.00 O ATOM 1063 CB ALA A 69 13.656 -10.320 -1.789 1.00 0.00 C ATOM 0 H ALA A 69 13.656 -12.663 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 69 12.549 -11.322 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.687 -9.370 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.816 -10.319 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.585 -10.455 -1.235 1.00 0.00 H new ATOM 1069 N GLY A 70 15.842 -11.825 -3.416 1.00 0.00 N ATOM 1070 CA GLY A 70 17.018 -11.694 -4.266 1.00 0.00 C ATOM 1071 C GLY A 70 17.097 -10.272 -4.834 1.00 0.00 C ATOM 1072 O GLY A 70 16.997 -9.296 -4.087 1.00 0.00 O ATOM 0 H GLY A 70 16.037 -12.213 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 70 17.918 -11.916 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.971 -12.418 -5.080 1.00 0.00 H new ATOM 1076 N SER A 71 17.254 -10.162 -6.153 1.00 0.00 N ATOM 1077 CA SER A 71 17.340 -8.896 -6.874 1.00 0.00 C ATOM 1078 C SER A 71 15.998 -8.140 -6.971 1.00 0.00 C ATOM 1079 O SER A 71 15.986 -7.005 -7.453 1.00 0.00 O ATOM 1080 CB SER A 71 17.887 -9.175 -8.283 1.00 0.00 C ATOM 1081 OG SER A 71 19.040 -10.006 -8.236 1.00 0.00 O ATOM 0 H SER A 71 17.327 -10.975 -6.765 1.00 0.00 H new ATOM 0 HA SER A 71 18.007 -8.245 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.116 -9.654 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.135 -8.233 -8.772 1.00 0.00 H new ATOM 0 HG SER A 71 19.364 -10.167 -9.147 1.00 0.00 H new ATOM 1087 N ASP A 72 14.870 -8.742 -6.568 1.00 0.00 N ATOM 1088 CA ASP A 72 13.544 -8.127 -6.652 1.00 0.00 C ATOM 1089 C ASP A 72 13.364 -7.058 -5.558 1.00 0.00 C ATOM 1090 O ASP A 72 14.298 -6.690 -4.839 1.00 0.00 O ATOM 1091 CB ASP A 72 12.403 -9.168 -6.584 1.00 0.00 C ATOM 1092 CG ASP A 72 12.351 -10.179 -7.737 1.00 0.00 C ATOM 1093 OD1 ASP A 72 12.958 -9.962 -8.810 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.648 -11.204 -7.602 1.00 0.00 O ATOM 0 H ASP A 72 14.856 -9.681 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 72 13.483 -7.647 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.494 -9.718 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.453 -8.635 -6.550 1.00 0.00 H new ATOM 1099 N LYS A 73 12.130 -6.572 -5.417 1.00 0.00 N ATOM 1100 CA LYS A 73 11.670 -5.590 -4.446 1.00 0.00 C ATOM 1101 C LYS A 73 10.294 -6.062 -3.987 1.00 0.00 C ATOM 1102 O LYS A 73 9.648 -6.845 -4.689 1.00 0.00 O ATOM 1103 CB LYS A 73 11.645 -4.191 -5.089 1.00 0.00 C ATOM 1104 CG LYS A 73 10.665 -4.100 -6.276 1.00 0.00 C ATOM 1105 CD LYS A 73 10.718 -2.752 -7.012 1.00 0.00 C ATOM 1106 CE LYS A 73 12.048 -2.546 -7.752 1.00 0.00 C ATOM 1107 NZ LYS A 73 12.077 -1.269 -8.509 1.00 0.00 N ATOM 0 H LYS A 73 11.373 -6.881 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 73 12.332 -5.507 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.366 -3.454 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.648 -3.934 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.887 -4.900 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.651 -4.267 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.895 -2.697 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.574 -1.943 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.867 -2.559 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.213 -3.377 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.993 -1.173 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.312 -1.266 -9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.947 -0.473 -7.852 1.00 0.00 H new ATOM 1121 N TYR A 74 9.834 -5.623 -2.823 1.00 0.00 N ATOM 1122 CA TYR A 74 8.655 -6.196 -2.187 1.00 0.00 C ATOM 1123 C TYR A 74 8.030 -5.190 -1.227 1.00 0.00 C ATOM 1124 O TYR A 74 8.679 -4.211 -0.845 1.00 0.00 O ATOM 1125 CB TYR A 74 9.078 -7.484 -1.461 1.00 0.00 C ATOM 1126 CG TYR A 74 10.182 -7.312 -0.433 1.00 0.00 C ATOM 1127 CD1 TYR A 74 9.862 -6.981 0.899 1.00 0.00 C ATOM 1128 CD2 TYR A 74 11.531 -7.455 -0.814 1.00 0.00 C ATOM 1129 CE1 TYR A 74 10.883 -6.771 1.842 1.00 0.00 C ATOM 1130 CE2 TYR A 74 12.558 -7.242 0.122 1.00 0.00 C ATOM 1131 CZ TYR A 74 12.237 -6.893 1.454 1.00 0.00 C ATOM 1132 OH TYR A 74 13.221 -6.677 2.368 1.00 0.00 O ATOM 0 H TYR A 74 10.265 -4.864 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 74 7.898 -6.438 -2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.204 -7.907 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.405 -8.211 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.828 -6.888 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.777 -7.729 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.633 -6.517 2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.591 -7.345 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 74 14.095 -6.801 1.943 1.00 0.00 H new ATOM 1142 N GLN A 75 6.776 -5.430 -0.838 1.00 0.00 N ATOM 1143 CA GLN A 75 6.050 -4.594 0.112 1.00 0.00 C ATOM 1144 C GLN A 75 4.959 -5.404 0.810 1.00 0.00 C ATOM 1145 O GLN A 75 4.515 -6.433 0.294 1.00 0.00 O ATOM 1146 CB GLN A 75 5.502 -3.328 -0.581 1.00 0.00 C ATOM 1147 CG GLN A 75 4.546 -3.574 -1.764 1.00 0.00 C ATOM 1148 CD GLN A 75 4.223 -2.291 -2.544 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.333 -1.173 -2.042 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.832 -2.414 -3.801 1.00 0.00 N ATOM 0 H GLN A 75 6.232 -6.222 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 75 6.738 -4.253 0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.982 -2.725 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.346 -2.737 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.992 -4.303 -2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.619 -4.011 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.740 -3.340 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.622 -1.583 -4.353 1.00 0.00 H new ATOM 1159 N VAL A 76 4.511 -4.934 1.976 1.00 0.00 N ATOM 1160 CA VAL A 76 3.336 -5.480 2.639 1.00 0.00 C ATOM 1161 C VAL A 76 2.137 -5.127 1.758 1.00 0.00 C ATOM 1162 O VAL A 76 2.004 -3.983 1.313 1.00 0.00 O ATOM 1163 CB VAL A 76 3.189 -4.907 4.067 1.00 0.00 C ATOM 1164 CG1 VAL A 76 1.935 -5.448 4.774 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.407 -5.245 4.938 1.00 0.00 C ATOM 0 H VAL A 76 4.954 -4.167 2.482 1.00 0.00 H new ATOM 0 HA VAL A 76 3.416 -6.561 2.758 1.00 0.00 H new ATOM 0 HB VAL A 76 3.105 -3.827 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.869 -5.021 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.048 -5.173 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.998 -6.534 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.269 -4.826 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.513 -6.327 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.305 -4.822 4.488 1.00 0.00 H new ATOM 1175 N ASN A 77 1.256 -6.098 1.520 1.00 0.00 N ATOM 1176 CA ASN A 77 -0.011 -5.874 0.832 1.00 0.00 C ATOM 1177 C ASN A 77 -1.048 -6.867 1.347 1.00 0.00 C ATOM 1178 O ASN A 77 -1.458 -7.788 0.641 1.00 0.00 O ATOM 1179 CB ASN A 77 0.140 -5.920 -0.699 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.166 -5.553 -1.415 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -2.163 -5.159 -0.812 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.184 -5.640 -2.732 1.00 0.00 N ATOM 0 H ASN A 77 1.404 -7.067 1.802 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.358 -4.865 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.928 -5.233 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.452 -6.919 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.024 -5.381 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.358 -5.967 -3.233 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.425 -6.726 2.622 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.570 -7.455 3.162 1.00 0.00 C ATOM 1191 C ASN A 78 -3.785 -6.996 2.355 1.00 0.00 C ATOM 1192 O ASN A 78 -4.097 -5.803 2.366 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.779 -7.161 4.654 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.655 -7.675 5.542 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.260 -8.831 5.445 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.121 -6.839 6.417 1.00 0.00 N ATOM 0 H ASN A 78 -0.956 -6.117 3.293 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.411 -8.530 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.876 -6.084 4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.719 -7.610 4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.366 -7.153 7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.464 -5.881 6.482 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.454 -7.916 1.650 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.468 -7.557 0.650 1.00 0.00 C ATOM 1205 C LYS A 79 -6.577 -6.664 1.214 1.00 0.00 C ATOM 1206 O LYS A 79 -6.944 -5.687 0.562 1.00 0.00 O ATOM 1207 CB LYS A 79 -6.080 -8.814 0.007 1.00 0.00 C ATOM 1208 CG LYS A 79 -5.112 -9.640 -0.860 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.601 -8.966 -2.144 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.758 -8.591 -3.085 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.304 -8.351 -4.476 1.00 0.00 N ATOM 0 H LYS A 79 -4.310 -8.920 1.754 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.947 -6.979 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.472 -9.454 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.928 -8.513 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.250 -9.909 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.609 -10.570 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.036 -8.070 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.915 -9.638 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.499 -9.390 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.253 -7.696 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.109 -8.036 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.567 -7.617 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.917 -9.231 -4.872 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.094 -6.975 2.409 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.232 -6.273 3.001 1.00 0.00 C ATOM 1227 C HIS A 80 -8.071 -6.129 4.508 1.00 0.00 C ATOM 1228 O HIS A 80 -9.067 -6.143 5.223 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.559 -6.972 2.667 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.854 -7.127 1.196 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.393 -6.138 0.365 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.643 -8.260 0.464 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.490 -6.704 -0.852 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -10.047 -7.974 -0.821 1.00 0.00 N ATOM 0 H HIS A 80 -6.729 -7.727 2.994 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.256 -5.275 2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.555 -7.961 3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.372 -6.410 3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.239 -9.195 0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.871 -6.207 -1.732 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.016 -8.615 -1.614 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.856 -5.912 5.019 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.637 -5.578 6.440 1.00 0.00 C ATOM 1244 C ASP A 81 -7.376 -4.295 6.870 1.00 0.00 C ATOM 1245 O ASP A 81 -7.482 -3.988 8.057 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.137 -5.456 6.719 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.827 -5.100 8.181 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.014 -5.971 9.059 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.322 -3.984 8.442 1.00 0.00 O ATOM 0 H ASP A 81 -5.998 -5.961 4.469 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.055 -6.391 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.648 -6.398 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.712 -4.693 6.067 1.00 0.00 H new ATOM 1254 N ASP A 82 -7.931 -3.552 5.906 1.00 0.00 N ATOM 1255 CA ASP A 82 -8.733 -2.353 6.158 1.00 0.00 C ATOM 1256 C ASP A 82 -10.165 -2.741 6.541 1.00 0.00 C ATOM 1257 O ASP A 82 -10.882 -1.956 7.162 1.00 0.00 O ATOM 1258 CB ASP A 82 -8.753 -1.469 4.904 1.00 0.00 C ATOM 1259 CG ASP A 82 -9.536 -0.164 5.133 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -9.094 0.676 5.950 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -10.566 0.047 4.456 1.00 0.00 O ATOM 0 H ASP A 82 -7.833 -3.771 4.915 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.286 -1.799 6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.730 -1.232 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.201 -2.021 4.078 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.576 -3.965 6.185 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.932 -4.471 6.346 1.00 0.00 C ATOM 1268 C LYS A 83 -11.952 -5.613 7.355 1.00 0.00 C ATOM 1269 O LYS A 83 -12.821 -5.625 8.228 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.488 -4.956 4.989 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.246 -4.057 3.776 1.00 0.00 C ATOM 1272 CD LYS A 83 -12.816 -2.649 3.963 1.00 0.00 C ATOM 1273 CE LYS A 83 -12.644 -1.907 2.640 1.00 0.00 C ATOM 1274 NZ LYS A 83 -12.750 -0.439 2.806 1.00 0.00 N ATOM 0 H LYS A 83 -9.947 -4.648 5.763 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.562 -3.662 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.056 -5.934 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.563 -5.098 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.175 -3.989 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.697 -4.513 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.868 -2.695 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.295 -2.128 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.673 -2.154 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.401 -2.247 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.763 0.016 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.627 -0.210 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.934 -0.091 3.349 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.999 -6.546 7.256 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.016 -7.805 7.998 1.00 0.00 C ATOM 1290 C TYR A 84 -9.619 -8.401 8.188 1.00 0.00 C ATOM 1291 O TYR A 84 -8.696 -8.138 7.419 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.841 -8.847 7.220 1.00 0.00 C ATOM 1293 CG TYR A 84 -13.315 -8.538 7.059 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -14.188 -8.697 8.151 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -13.813 -8.101 5.817 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -15.557 -8.411 8.008 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -15.180 -7.811 5.665 1.00 0.00 C ATOM 1298 CZ TYR A 84 -16.060 -7.964 6.763 1.00 0.00 C ATOM 1299 OH TYR A 84 -17.389 -7.687 6.636 1.00 0.00 O ATOM 0 H TYR A 84 -10.185 -6.444 6.650 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.443 -7.580 8.975 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.403 -8.962 6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.744 -9.809 7.724 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.806 -9.040 9.101 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.142 -7.988 4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.225 -8.532 8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.558 -7.472 4.712 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.575 -7.390 5.721 1.00 0.00 H new ATOM 1309 N SER A 85 -9.506 -9.271 9.190 1.00 0.00 N ATOM 1310 CA SER A 85 -8.403 -10.185 9.481 1.00 0.00 C ATOM 1311 C SER A 85 -8.921 -11.091 10.612 1.00 0.00 C ATOM 1312 O SER A 85 -8.628 -10.842 11.783 1.00 0.00 O ATOM 1313 CB SER A 85 -7.105 -9.456 9.858 1.00 0.00 C ATOM 1314 OG SER A 85 -6.487 -8.936 8.693 1.00 0.00 O ATOM 0 H SER A 85 -10.251 -9.362 9.881 1.00 0.00 H new ATOM 0 HA SER A 85 -8.125 -10.762 8.599 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.321 -8.648 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.426 -10.142 10.365 1.00 0.00 H new ATOM 0 HG SER A 85 -7.142 -8.420 8.178 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.782 -12.081 10.298 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.486 -12.890 11.293 1.00 0.00 C ATOM 1322 C PRO A 86 -9.565 -13.771 12.139 1.00 0.00 C ATOM 1323 O PRO A 86 -9.980 -14.273 13.185 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.483 -13.744 10.503 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.873 -13.827 9.107 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.197 -12.470 8.958 1.00 0.00 C ATOM 0 HA PRO A 86 -10.973 -12.237 12.017 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.601 -14.733 10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.471 -13.285 10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.159 -14.647 9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.632 -13.988 8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.341 -12.532 8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.883 -11.737 8.533 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.326 -13.969 11.688 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.343 -14.814 12.342 1.00 0.00 C ATOM 1336 C LEU A 87 -6.323 -13.890 13.009 1.00 0.00 C ATOM 1337 O LEU A 87 -5.711 -13.083 12.303 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.689 -15.725 11.289 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.662 -16.770 10.707 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.001 -17.492 9.532 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.093 -17.811 11.749 1.00 0.00 C ATOM 0 H LEU A 87 -7.975 -13.532 10.836 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.792 -15.457 13.099 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.297 -15.111 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.839 -16.239 11.739 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.552 -16.232 10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.692 -18.230 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.744 -16.768 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.096 -17.993 9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.778 -18.524 11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.215 -18.339 12.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.593 -17.310 12.578 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.134 -13.963 14.341 1.00 0.00 N ATOM 1354 CA PRO A 88 -5.083 -13.210 15.010 1.00 0.00 C ATOM 1355 C PRO A 88 -3.723 -13.754 14.565 1.00 0.00 C ATOM 1356 O PRO A 88 -3.621 -14.909 14.140 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.333 -13.389 16.510 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.019 -14.750 16.593 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.816 -14.832 15.290 1.00 0.00 C ATOM 0 HA PRO A 88 -5.086 -12.148 14.764 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.402 -13.373 17.077 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.964 -12.595 16.910 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.294 -15.560 16.671 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.669 -14.819 17.465 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.854 -15.857 14.921 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.846 -14.509 15.443 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.679 -12.929 14.692 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.363 -13.188 14.118 1.00 0.00 C ATOM 1369 C CYS A 89 -0.872 -14.607 14.398 1.00 0.00 C ATOM 1370 O CYS A 89 -0.480 -15.300 13.464 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.355 -12.142 14.616 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.945 -10.464 14.233 1.00 0.00 S ATOM 0 H CYS A 89 -2.730 -12.049 15.206 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.454 -13.103 13.035 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.212 -12.248 15.691 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.615 -12.310 14.147 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.082 -9.592 14.663 1.00 0.00 H new ATOM 1378 N SER A 90 -0.960 -15.069 15.648 1.00 0.00 N ATOM 1379 CA SER A 90 -0.484 -16.384 16.058 1.00 0.00 C ATOM 1380 C SER A 90 -1.090 -17.513 15.219 1.00 0.00 C ATOM 1381 O SER A 90 -0.369 -18.397 14.765 1.00 0.00 O ATOM 1382 CB SER A 90 -0.777 -16.578 17.552 1.00 0.00 C ATOM 1383 OG SER A 90 -0.415 -15.417 18.289 1.00 0.00 O ATOM 0 H SER A 90 -1.370 -14.530 16.411 1.00 0.00 H new ATOM 0 HA SER A 90 0.592 -16.430 15.888 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.836 -16.791 17.696 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.225 -17.440 17.927 1.00 0.00 H new ATOM 0 HG SER A 90 -0.610 -15.558 19.239 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.397 -17.470 14.951 1.00 0.00 N ATOM 1390 CA LYS A 91 -3.088 -18.479 14.152 1.00 0.00 C ATOM 1391 C LYS A 91 -2.615 -18.452 12.699 1.00 0.00 C ATOM 1392 O LYS A 91 -2.532 -19.513 12.083 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.613 -18.303 14.227 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.216 -18.480 15.633 1.00 0.00 C ATOM 1395 CD LYS A 91 -5.039 -19.900 16.198 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.712 -20.076 17.570 1.00 0.00 C ATOM 1397 NZ LYS A 91 -7.197 -20.062 17.500 1.00 0.00 N ATOM 0 H LYS A 91 -3.009 -16.726 15.286 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.840 -19.454 14.572 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.868 -17.309 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.081 -19.021 13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.751 -17.766 16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.279 -18.241 15.597 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.458 -20.622 15.496 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.976 -20.122 16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.384 -21.018 18.010 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.379 -19.280 18.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.591 -20.202 18.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.518 -19.147 17.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.522 -20.827 16.875 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.267 -17.282 12.156 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.686 -17.186 10.821 1.00 0.00 C ATOM 1413 C ILE A 92 -0.370 -17.974 10.809 1.00 0.00 C ATOM 1414 O ILE A 92 -0.177 -18.816 9.930 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.478 -15.710 10.401 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.750 -14.852 10.600 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.010 -15.661 8.940 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.518 -13.364 10.325 1.00 0.00 C ATOM 0 H ILE A 92 -2.380 -16.384 12.627 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.370 -17.616 10.089 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.714 -15.280 11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.536 -15.219 9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.108 -14.975 11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.862 -14.624 8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.071 -16.205 8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.764 -16.120 8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.447 -12.816 10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.754 -12.984 11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.188 -13.232 9.295 1.00 0.00 H new ATOM 1430 N ILE A 93 0.508 -17.747 11.799 1.00 0.00 N ATOM 1431 CA ILE A 93 1.778 -18.464 11.904 1.00 0.00 C ATOM 1432 C ILE A 93 1.497 -19.959 12.017 1.00 0.00 C ATOM 1433 O ILE A 93 2.051 -20.739 11.255 1.00 0.00 O ATOM 1434 CB ILE A 93 2.624 -17.991 13.114 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.701 -16.469 13.311 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.040 -18.567 13.010 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.120 -15.659 12.080 1.00 0.00 C ATOM 0 H ILE A 93 0.354 -17.065 12.542 1.00 0.00 H new ATOM 0 HA ILE A 93 2.359 -18.252 11.007 1.00 0.00 H new ATOM 0 HB ILE A 93 2.101 -18.369 13.993 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.725 -16.114 13.641 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.405 -16.261 14.117 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.632 -18.233 13.862 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.991 -19.656 13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.506 -18.223 12.087 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.141 -14.599 12.332 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.112 -15.975 11.757 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.405 -15.826 11.274 1.00 0.00 H new ATOM 1449 N GLN A 94 0.614 -20.351 12.935 1.00 0.00 N ATOM 1450 CA GLN A 94 0.265 -21.743 13.203 1.00 0.00 C ATOM 1451 C GLN A 94 -0.143 -22.452 11.911 1.00 0.00 C ATOM 1452 O GLN A 94 0.334 -23.550 11.620 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.890 -21.794 14.221 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.465 -21.583 15.681 1.00 0.00 C ATOM 1455 CD GLN A 94 0.437 -22.705 16.200 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.564 -22.472 16.630 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -0.020 -23.948 16.159 1.00 0.00 N ATOM 0 H GLN A 94 0.110 -19.691 13.527 1.00 0.00 H new ATOM 0 HA GLN A 94 1.135 -22.254 13.614 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.624 -21.033 13.956 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.388 -22.760 14.137 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.059 -20.631 15.769 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.354 -21.517 16.308 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.957 -24.135 15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.565 -24.717 16.485 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.007 -21.812 11.120 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.478 -22.391 9.870 1.00 0.00 C ATOM 1468 C ARG A 95 -0.316 -22.499 8.883 1.00 0.00 C ATOM 1469 O ARG A 95 -0.083 -23.580 8.347 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.658 -21.556 9.341 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.313 -22.083 8.055 1.00 0.00 C ATOM 1472 CD ARG A 95 -3.858 -23.516 8.154 1.00 0.00 C ATOM 1473 NE ARG A 95 -4.611 -23.876 6.939 1.00 0.00 N ATOM 1474 CZ ARG A 95 -4.995 -25.105 6.579 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -4.735 -26.166 7.338 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -5.643 -25.262 5.432 1.00 0.00 N ATOM 0 H ARG A 95 -1.393 -20.891 11.328 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.848 -23.405 10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.419 -21.499 10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.310 -20.539 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.130 -21.416 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.582 -22.042 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.033 -24.214 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.504 -23.604 9.027 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.864 -23.113 6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.232 -26.053 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.039 -27.093 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.840 -24.453 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.944 -26.192 5.140 1.00 0.00 H new ATOM 1490 N ALA A 96 0.449 -21.423 8.679 1.00 0.00 N ATOM 1491 CA ALA A 96 1.593 -21.433 7.774 1.00 0.00 C ATOM 1492 C ALA A 96 2.565 -22.560 8.138 1.00 0.00 C ATOM 1493 O ALA A 96 2.996 -23.311 7.267 1.00 0.00 O ATOM 1494 CB ALA A 96 2.287 -20.067 7.801 1.00 0.00 C ATOM 0 H ALA A 96 0.291 -20.525 9.137 1.00 0.00 H new ATOM 0 HA ALA A 96 1.242 -21.621 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.141 -20.079 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.584 -19.296 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.630 -19.853 8.813 1.00 0.00 H new ATOM 1500 N GLU A 97 2.857 -22.709 9.428 1.00 0.00 N ATOM 1501 CA GLU A 97 3.781 -23.691 9.977 1.00 0.00 C ATOM 1502 C GLU A 97 3.284 -25.125 9.781 1.00 0.00 C ATOM 1503 O GLU A 97 4.102 -26.033 9.629 1.00 0.00 O ATOM 1504 CB GLU A 97 4.003 -23.416 11.474 1.00 0.00 C ATOM 1505 CG GLU A 97 4.860 -22.171 11.742 1.00 0.00 C ATOM 1506 CD GLU A 97 6.349 -22.406 11.450 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.036 -23.076 12.254 1.00 0.00 O ATOM 1508 OE2 GLU A 97 6.861 -21.886 10.434 1.00 0.00 O ATOM 0 H GLU A 97 2.436 -22.122 10.148 1.00 0.00 H new ATOM 0 HA GLU A 97 4.723 -23.594 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.036 -23.294 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.482 -24.283 11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.499 -21.346 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.741 -21.869 12.783 1.00 0.00 H new ATOM 1515 N GLU A 98 1.968 -25.351 9.759 1.00 0.00 N ATOM 1516 CA GLU A 98 1.383 -26.656 9.535 1.00 0.00 C ATOM 1517 C GLU A 98 1.562 -27.039 8.058 1.00 0.00 C ATOM 1518 O GLU A 98 1.666 -28.220 7.719 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.084 -26.579 10.009 1.00 0.00 C ATOM 1520 CG GLU A 98 -1.047 -27.519 9.289 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.452 -27.454 9.910 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -3.212 -26.510 9.595 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -2.814 -28.359 10.698 1.00 0.00 O ATOM 0 H GLU A 98 1.276 -24.614 9.900 1.00 0.00 H new ATOM 0 HA GLU A 98 1.869 -27.451 10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.117 -26.798 11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.437 -25.556 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.100 -27.252 8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.670 -28.540 9.341 1.00 0.00 H new ATOM 1530 N LEU A 99 1.617 -26.037 7.179 1.00 0.00 N ATOM 1531 CA LEU A 99 1.582 -26.224 5.738 1.00 0.00 C ATOM 1532 C LEU A 99 2.973 -26.349 5.121 1.00 0.00 C ATOM 1533 O LEU A 99 3.064 -26.828 3.994 1.00 0.00 O ATOM 1534 CB LEU A 99 0.795 -25.066 5.107 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.678 -25.041 5.564 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.283 -23.676 5.251 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.512 -26.128 4.877 1.00 0.00 C ATOM 0 H LEU A 99 1.688 -25.059 7.459 1.00 0.00 H new ATOM 0 HA LEU A 99 1.083 -27.170 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.271 -24.121 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.835 -25.152 4.021 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.694 -25.232 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.324 -23.657 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.726 -22.902 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.232 -23.493 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.542 -26.073 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.489 -25.977 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.099 -27.108 5.115 1.00 0.00 H new ATOM 1549 N VAL A 100 4.054 -25.954 5.804 1.00 0.00 N ATOM 1550 CA VAL A 100 5.409 -26.056 5.252 1.00 0.00 C ATOM 1551 C VAL A 100 5.681 -27.502 4.815 1.00 0.00 C ATOM 1552 O VAL A 100 5.483 -28.444 5.589 1.00 0.00 O ATOM 1553 CB VAL A 100 6.478 -25.557 6.249 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.868 -25.503 5.593 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.157 -24.156 6.782 1.00 0.00 C ATOM 0 H VAL A 100 4.015 -25.559 6.744 1.00 0.00 H new ATOM 0 HA VAL A 100 5.474 -25.406 4.380 1.00 0.00 H new ATOM 0 HB VAL A 100 6.475 -26.270 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.599 -25.148 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.149 -26.500 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.842 -24.823 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.935 -23.845 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.112 -23.452 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.195 -24.173 7.295 1.00 0.00 H new ATOM 1565 N GLY A 101 6.145 -27.670 3.574 1.00 0.00 N ATOM 1566 CA GLY A 101 6.505 -28.956 3.006 1.00 0.00 C ATOM 1567 C GLY A 101 5.301 -29.749 2.498 1.00 0.00 C ATOM 1568 O GLY A 101 5.501 -30.860 2.001 1.00 0.00 O ATOM 0 H GLY A 101 6.281 -26.893 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.202 -28.800 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.028 -29.545 3.759 1.00 0.00 H new ATOM 1572 N GLN A 102 4.069 -29.229 2.605 1.00 0.00 N ATOM 1573 CA GLN A 102 2.917 -29.889 2.007 1.00 0.00 C ATOM 1574 C GLN A 102 2.932 -29.623 0.511 1.00 0.00 C ATOM 1575 O GLN A 102 3.308 -28.539 0.053 1.00 0.00 O ATOM 1576 CB GLN A 102 1.586 -29.450 2.636 1.00 0.00 C ATOM 1577 CG GLN A 102 1.429 -30.098 4.019 1.00 0.00 C ATOM 1578 CD GLN A 102 0.029 -29.922 4.617 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.983 -30.165 3.962 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.083 -29.526 5.875 1.00 0.00 N ATOM 0 H GLN A 102 3.854 -28.362 3.097 1.00 0.00 H new ATOM 0 HA GLN A 102 2.994 -30.959 2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.556 -28.364 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.755 -29.739 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.652 -31.162 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.164 -29.668 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.754 -29.323 6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.006 -29.424 6.297 1.00 0.00 H new ATOM 1589 N GLU A 103 2.510 -30.627 -0.247 1.00 0.00 N ATOM 1590 CA GLU A 103 2.405 -30.526 -1.690 1.00 0.00 C ATOM 1591 C GLU A 103 1.038 -29.950 -2.043 1.00 0.00 C ATOM 1592 O GLU A 103 0.050 -30.183 -1.339 1.00 0.00 O ATOM 1593 CB GLU A 103 2.570 -31.904 -2.355 1.00 0.00 C ATOM 1594 CG GLU A 103 3.926 -32.570 -2.080 1.00 0.00 C ATOM 1595 CD GLU A 103 4.068 -33.886 -2.866 1.00 0.00 C ATOM 1596 OE1 GLU A 103 4.295 -33.843 -4.097 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.966 -34.976 -2.257 1.00 0.00 O ATOM 0 H GLU A 103 2.231 -31.535 0.126 1.00 0.00 H new ATOM 0 HA GLU A 103 3.199 -29.876 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.775 -32.563 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.442 -31.794 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.731 -31.889 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.028 -32.768 -1.013 1.00 0.00 H new ATOM 1604 N VAL A 104 0.976 -29.260 -3.176 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.252 -28.798 -3.796 1.00 0.00 C ATOM 1606 C VAL A 104 -0.250 -29.197 -5.276 1.00 0.00 C ATOM 1607 O VAL A 104 0.796 -29.238 -5.924 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.413 -27.286 -3.584 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.726 -26.948 -2.118 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.781 -26.445 -4.047 1.00 0.00 C ATOM 0 H VAL A 104 1.810 -29.000 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.117 -29.271 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.256 -27.018 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.833 -25.869 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.654 -27.436 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.087 -27.299 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.578 -25.391 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.673 -26.747 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.942 -26.598 -5.114 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.424 -29.508 -5.825 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.524 -30.139 -7.145 1.00 0.00 C ATOM 1622 C LEU A 105 -1.768 -29.127 -8.269 1.00 0.00 C ATOM 1623 O LEU A 105 -1.904 -29.527 -9.425 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.611 -31.238 -7.122 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.217 -32.596 -6.501 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.057 -33.267 -7.250 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.874 -32.519 -5.007 1.00 0.00 C ATOM 0 H LEU A 105 -2.323 -29.333 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.561 -30.600 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.472 -30.852 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.936 -31.415 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.114 -33.206 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.818 -34.218 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.346 -33.442 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.182 -32.618 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.608 -33.511 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.033 -31.841 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.738 -32.150 -4.454 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.822 -27.831 -7.956 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.824 -26.762 -8.946 1.00 0.00 C ATOM 1641 C TYR A 106 -0.386 -26.296 -9.189 1.00 0.00 C ATOM 1642 O TYR A 106 0.476 -26.416 -8.315 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.728 -25.608 -8.484 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.476 -25.082 -7.079 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.369 -24.253 -6.812 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.366 -25.413 -6.038 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.152 -23.756 -5.515 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.160 -24.914 -4.740 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.049 -24.081 -4.473 1.00 0.00 C ATOM 1650 OH TYR A 106 -1.829 -23.598 -3.220 1.00 0.00 O ATOM 0 H TYR A 106 -1.866 -27.494 -6.994 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.228 -27.131 -9.889 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.615 -24.781 -9.185 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.765 -25.938 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.684 -23.998 -7.607 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.212 -26.054 -6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.299 -23.125 -5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.849 -25.167 -3.948 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.537 -23.912 -2.619 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.121 -25.728 -10.366 1.00 0.00 N ATOM 1661 CA LYS A 107 1.110 -25.049 -10.682 1.00 0.00 C ATOM 1662 C LYS A 107 1.136 -23.752 -9.883 1.00 0.00 C ATOM 1663 O LYS A 107 0.105 -23.087 -9.749 1.00 0.00 O ATOM 1664 CB LYS A 107 1.044 -24.795 -12.185 1.00 0.00 C ATOM 1665 CG LYS A 107 2.105 -23.819 -12.659 1.00 0.00 C ATOM 1666 CD LYS A 107 2.331 -23.818 -14.178 1.00 0.00 C ATOM 1667 CE LYS A 107 1.071 -23.397 -14.951 1.00 0.00 C ATOM 1668 NZ LYS A 107 1.303 -23.346 -16.417 1.00 0.00 N ATOM 0 H LYS A 107 -0.785 -25.735 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 107 2.012 -25.609 -10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.162 -25.740 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.058 -24.407 -12.441 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.823 -22.814 -12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.047 -24.056 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.149 -23.140 -14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.637 -24.814 -14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.264 -24.098 -14.737 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.743 -22.418 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.427 -23.058 -16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.055 -22.658 -16.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.590 -24.286 -16.756 1.00 0.00 H new ATOM 1682 N LEU A 108 2.308 -23.363 -9.394 1.00 0.00 N ATOM 1683 CA LEU A 108 2.461 -22.058 -8.761 1.00 0.00 C ATOM 1684 C LEU A 108 2.334 -20.968 -9.827 1.00 0.00 C ATOM 1685 O LEU A 108 2.971 -21.039 -10.878 1.00 0.00 O ATOM 1686 CB LEU A 108 3.750 -21.932 -7.923 1.00 0.00 C ATOM 1687 CG LEU A 108 5.099 -21.778 -8.658 1.00 0.00 C ATOM 1688 CD1 LEU A 108 6.193 -21.563 -7.609 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.476 -22.998 -9.511 1.00 0.00 C ATOM 0 H LEU A 108 3.158 -23.926 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 108 1.659 -21.933 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.633 -21.072 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.819 -22.815 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 108 5.002 -20.932 -9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.157 -21.451 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.975 -20.663 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.228 -22.422 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.435 -22.819 -9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.552 -23.879 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.710 -23.163 -10.268 1.00 0.00 H new ATOM 1701 N THR A 109 1.521 -19.959 -9.538 1.00 0.00 N ATOM 1702 CA THR A 109 1.280 -18.786 -10.368 1.00 0.00 C ATOM 1703 C THR A 109 1.072 -17.615 -9.409 1.00 0.00 C ATOM 1704 O THR A 109 0.806 -17.838 -8.223 1.00 0.00 O ATOM 1705 CB THR A 109 0.025 -18.993 -11.242 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.083 -19.328 -10.428 1.00 0.00 O ATOM 1707 CG2 THR A 109 0.192 -20.099 -12.289 1.00 0.00 C ATOM 0 H THR A 109 0.983 -19.936 -8.671 1.00 0.00 H new ATOM 0 HA THR A 109 2.117 -18.602 -11.042 1.00 0.00 H new ATOM 0 HB THR A 109 -0.134 -18.050 -11.766 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.875 -19.456 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.726 -20.193 -12.869 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.018 -19.848 -12.955 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.403 -21.044 -11.789 1.00 0.00 H new ATOM 1715 N SER A 110 1.129 -16.378 -9.906 1.00 0.00 N ATOM 1716 CA SER A 110 0.798 -15.200 -9.116 1.00 0.00 C ATOM 1717 C SER A 110 -0.559 -15.372 -8.425 1.00 0.00 C ATOM 1718 O SER A 110 -0.668 -15.148 -7.220 1.00 0.00 O ATOM 1719 CB SER A 110 0.781 -13.982 -10.043 1.00 0.00 C ATOM 1720 OG SER A 110 2.026 -13.834 -10.697 1.00 0.00 O ATOM 0 H SER A 110 1.406 -16.169 -10.865 1.00 0.00 H new ATOM 0 HA SER A 110 1.547 -15.060 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.013 -14.092 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.558 -13.084 -9.467 1.00 0.00 H new ATOM 0 HG SER A 110 2.614 -13.266 -10.157 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.575 -15.827 -9.169 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.925 -15.971 -8.640 1.00 0.00 C ATOM 1728 C GLU A 111 -3.016 -17.117 -7.634 1.00 0.00 C ATOM 1729 O GLU A 111 -3.660 -16.955 -6.598 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.947 -16.110 -9.781 1.00 0.00 C ATOM 1731 CG GLU A 111 -3.722 -17.291 -10.738 1.00 0.00 C ATOM 1732 CD GLU A 111 -4.768 -17.305 -11.868 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -5.863 -17.886 -11.688 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -4.506 -16.744 -12.957 1.00 0.00 O ATOM 0 H GLU A 111 -1.480 -16.102 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.173 -15.062 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.941 -16.205 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.941 -15.188 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.722 -17.229 -11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.772 -18.227 -10.182 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.356 -18.254 -7.878 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.429 -19.384 -6.953 1.00 0.00 C ATOM 1743 C ASN A 112 -1.656 -19.089 -5.667 1.00 0.00 C ATOM 1744 O ASN A 112 -2.060 -19.563 -4.604 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.934 -20.693 -7.594 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.952 -21.308 -8.558 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.161 -21.155 -8.400 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.503 -22.025 -9.575 1.00 0.00 N ATOM 0 H ASN A 112 -1.772 -18.413 -8.699 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.481 -19.522 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.005 -20.500 -8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.705 -21.413 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.160 -22.451 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.499 -22.152 -9.706 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.582 -18.294 -5.721 1.00 0.00 N ATOM 1756 CA CYS A 113 0.097 -17.858 -4.506 1.00 0.00 C ATOM 1757 C CYS A 113 -0.786 -16.871 -3.741 1.00 0.00 C ATOM 1758 O CYS A 113 -0.913 -16.999 -2.526 1.00 0.00 O ATOM 1759 CB CYS A 113 1.460 -17.227 -4.810 1.00 0.00 C ATOM 1760 SG CYS A 113 2.523 -18.402 -5.693 1.00 0.00 S ATOM 0 H CYS A 113 -0.171 -17.944 -6.586 1.00 0.00 H new ATOM 0 HA CYS A 113 0.275 -18.739 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.325 -16.328 -5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.940 -16.920 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 113 2.144 -18.482 -6.934 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.415 -15.919 -4.439 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.303 -14.925 -3.836 1.00 0.00 C ATOM 1768 C GLU A 114 -3.479 -15.622 -3.135 1.00 0.00 C ATOM 1769 O GLU A 114 -3.846 -15.262 -2.016 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.769 -13.946 -4.930 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.326 -12.627 -4.373 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.452 -11.528 -5.450 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.524 -11.337 -6.274 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.477 -10.809 -5.451 1.00 0.00 O ATOM 0 H GLU A 114 -1.319 -15.818 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.774 -14.355 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.931 -13.727 -5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.536 -14.428 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.305 -12.810 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.676 -12.272 -3.573 1.00 0.00 H new ATOM 1781 N HIS A 115 -4.019 -16.661 -3.777 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.067 -17.534 -3.267 1.00 0.00 C ATOM 1783 C HIS A 115 -4.605 -18.222 -1.980 1.00 0.00 C ATOM 1784 O HIS A 115 -5.209 -18.012 -0.923 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.414 -18.532 -4.386 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.396 -19.626 -4.045 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -6.228 -20.615 -3.069 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -7.539 -19.885 -4.744 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -7.297 -21.424 -3.183 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -8.099 -21.007 -4.179 1.00 0.00 N ATOM 0 H HIS A 115 -3.718 -16.926 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.963 -16.973 -3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.812 -17.970 -5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.489 -19.000 -4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.928 -19.319 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.485 -22.287 -2.562 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -8.973 -21.448 -4.466 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.502 -18.981 -2.046 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.002 -19.733 -0.904 1.00 0.00 C ATOM 1800 C PHE A 116 -2.746 -18.816 0.282 1.00 0.00 C ATOM 1801 O PHE A 116 -3.173 -19.098 1.399 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.699 -20.447 -1.300 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.825 -20.857 -0.124 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.044 -22.082 0.530 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.180 -19.985 0.347 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.274 -22.420 1.656 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.925 -20.308 1.494 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.699 -21.532 2.147 1.00 0.00 C ATOM 0 H PHE A 116 -2.940 -19.086 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.754 -20.466 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.948 -21.336 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.124 -19.791 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.802 -22.761 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.378 -19.062 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.431 -23.369 2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.667 -19.620 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.272 -21.790 3.025 1.00 0.00 H new ATOM 1818 N VAL A 117 -2.027 -17.724 0.048 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.554 -16.892 1.136 1.00 0.00 C ATOM 1820 C VAL A 117 -2.734 -16.187 1.830 1.00 0.00 C ATOM 1821 O VAL A 117 -2.712 -15.987 3.048 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.431 -15.982 0.598 1.00 0.00 C ATOM 1823 CG1 VAL A 117 -0.931 -14.691 -0.062 1.00 0.00 C ATOM 1824 CG2 VAL A 117 0.567 -15.698 1.708 1.00 0.00 C ATOM 0 H VAL A 117 -1.763 -17.400 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.104 -17.477 1.938 1.00 0.00 H new ATOM 0 HB VAL A 117 0.062 -16.526 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.079 -14.108 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.574 -14.939 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.496 -14.106 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.361 -15.055 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.060 -15.199 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.997 -16.636 2.059 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.810 -15.872 1.094 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.005 -15.287 1.700 1.00 0.00 C ATOM 1836 C ASN A 118 -5.744 -16.297 2.564 1.00 0.00 C ATOM 1837 O ASN A 118 -6.330 -15.902 3.571 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.925 -14.641 0.661 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.472 -13.207 0.438 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.954 -12.283 1.084 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.471 -13.002 -0.403 1.00 0.00 N ATOM 0 H ASN A 118 -3.873 -16.013 0.086 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.668 -14.484 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.890 -15.199 -0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.959 -14.662 1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.089 -12.064 -0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.082 -13.782 -0.933 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.645 -17.595 2.263 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.114 -18.642 3.153 1.00 0.00 C ATOM 1850 C GLU A 119 -5.502 -18.501 4.554 1.00 0.00 C ATOM 1851 O GLU A 119 -6.151 -18.829 5.543 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.786 -20.021 2.562 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.879 -21.020 2.919 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.392 -22.475 2.832 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.484 -23.092 1.746 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -5.945 -23.020 3.867 1.00 0.00 O ATOM 0 H GLU A 119 -5.237 -17.941 1.395 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.195 -18.544 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.691 -19.947 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.826 -20.369 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.236 -20.819 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.727 -20.882 2.248 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.274 -17.986 4.659 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.577 -17.840 5.926 1.00 0.00 C ATOM 1865 C LEU A 120 -4.056 -16.587 6.656 1.00 0.00 C ATOM 1866 O LEU A 120 -4.320 -16.648 7.854 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.053 -17.788 5.720 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.499 -18.856 4.762 1.00 0.00 C ATOM 1869 CD1 LEU A 120 0.005 -18.665 4.603 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.766 -20.277 5.250 1.00 0.00 C ATOM 0 H LEU A 120 -3.737 -17.658 3.856 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.805 -18.713 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.785 -16.803 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.565 -17.899 6.688 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.012 -18.729 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.398 -19.422 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.205 -17.674 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.489 -18.763 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.354 -20.990 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.294 -20.423 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.841 -20.435 5.341 1.00 0.00 H new ATOM 1882 N ARG A 121 -4.171 -15.446 5.958 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.570 -14.182 6.599 1.00 0.00 C ATOM 1884 C ARG A 121 -6.068 -14.146 6.927 1.00 0.00 C ATOM 1885 O ARG A 121 -6.449 -13.484 7.893 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.148 -12.989 5.712 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.398 -11.578 6.294 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.721 -11.353 7.655 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.821 -9.955 8.123 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.814 -9.164 8.520 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.551 -9.582 8.514 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -3.056 -7.927 8.936 1.00 0.00 N ATOM 0 H ARG A 121 -3.995 -15.372 4.956 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.051 -14.106 7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.084 -13.085 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.677 -13.066 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.035 -10.832 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.471 -11.421 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.176 -12.012 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.670 -11.632 7.583 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.756 -9.548 8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.328 -10.527 8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.806 -8.957 8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.013 -7.573 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.285 -7.330 9.237 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.913 -14.840 6.157 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.371 -14.686 6.222 1.00 0.00 C ATOM 1908 C TYR A 122 -9.122 -16.022 6.345 1.00 0.00 C ATOM 1909 O TYR A 122 -10.335 -16.024 6.547 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.806 -13.847 5.001 1.00 0.00 C ATOM 1911 CG TYR A 122 -10.286 -13.509 4.888 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -10.819 -12.393 5.562 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -11.128 -14.295 4.076 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -12.189 -12.089 5.457 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.496 -13.996 3.962 1.00 0.00 C ATOM 1916 CZ TYR A 122 -13.036 -12.893 4.658 1.00 0.00 C ATOM 1917 OH TYR A 122 -14.366 -12.611 4.544 1.00 0.00 O ATOM 0 H TYR A 122 -6.604 -15.527 5.469 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.642 -14.163 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.245 -12.913 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.511 -14.383 4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.174 -11.768 6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.718 -15.135 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -12.595 -11.240 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -13.134 -14.609 3.343 1.00 0.00 H new ATOM 0 HH TYR A 122 -14.790 -13.268 3.954 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.438 -17.167 6.277 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.050 -18.484 6.466 1.00 0.00 C ATOM 1929 C GLY A 123 -9.539 -19.103 5.154 1.00 0.00 C ATOM 1930 O GLY A 123 -9.796 -20.306 5.106 1.00 0.00 O ATOM 0 H GLY A 123 -7.436 -17.206 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.326 -19.153 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.889 -18.394 7.156 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.643 -18.310 4.084 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.989 -18.743 2.737 1.00 0.00 C ATOM 1936 C VAL A 124 -9.390 -17.712 1.766 1.00 0.00 C ATOM 1937 O VAL A 124 -9.201 -16.552 2.148 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.525 -18.916 2.627 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.319 -17.624 2.874 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.947 -19.543 1.292 1.00 0.00 C ATOM 0 H VAL A 124 -9.480 -17.305 4.141 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.574 -19.719 2.484 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.777 -19.604 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.385 -17.829 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.108 -17.254 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.027 -16.872 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.032 -19.643 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.620 -18.905 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.489 -20.527 1.191 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.051 -18.132 0.541 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.662 -17.229 -0.536 1.00 0.00 C ATOM 1952 C ALA A 125 -9.682 -16.099 -0.707 1.00 0.00 C ATOM 1953 O ALA A 125 -9.258 -14.938 -0.876 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.520 -18.015 -1.838 1.00 0.00 C ATOM 1955 OXT ALA A 125 -10.901 -16.381 -0.741 1.00 0.00 O ATOM 0 H ALA A 125 -9.041 -19.116 0.273 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.704 -16.777 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.229 -17.338 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.757 -18.784 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.472 -18.484 -2.085 1.00 0.00 H new TER 1961 ALA A 125