USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 934 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 68 ASN : amide:sc= -0.774 X(o=-1.6,f=-2!) USER MOD Set 1.2: A 69 ASN : amide:sc= -0.869 K(o=-1.6,f=-4.6!) USER MOD Set 2.1: A 62 SER OG : rot -25:sc= 0.743 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -1.02 (180deg=-1.13) USER MOD Single : A 27 GLN : amide:sc= -0.984 K(o=-0.98,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -2:sc= 0.132 USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= -0.877 (180deg=-1.96!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= -2.12 (180deg=-4.67!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.954 USER MOD Single : A 48 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-8.4!) USER MOD Single : A 54 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.707 K(o=-0.71,f=-5.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-4!) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.159) USER MOD Single : A 80 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 89 SER OG : rot -129:sc= 0.00926 USER MOD Single : A 90 THR OG1 : rot -67:sc= 0.679 USER MOD Single : A 91 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.43) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 47:sc= 1.25 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.735 23.175 -3.467 1.00 0.00 N ATOM 2 CA GLY A 1 7.617 22.169 -2.905 1.00 0.00 C ATOM 3 C GLY A 1 6.859 21.064 -2.197 1.00 0.00 C ATOM 4 O GLY A 1 6.995 19.890 -2.540 1.00 0.00 O ATOM 0 H1 GLY A 1 7.301 23.908 -3.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.097 22.731 -4.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.174 23.608 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.224 21.737 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.303 22.643 -2.203 1.00 0.00 H new ATOM 8 N SER A 2 6.059 21.439 -1.203 1.00 0.00 N ATOM 9 CA SER A 2 5.281 20.470 -0.441 1.00 0.00 C ATOM 10 C SER A 2 4.799 19.334 -1.338 1.00 0.00 C ATOM 11 O SER A 2 4.876 18.162 -0.970 1.00 0.00 O ATOM 12 CB SER A 2 4.084 21.154 0.223 1.00 0.00 C ATOM 13 OG SER A 2 3.684 20.460 1.392 1.00 0.00 O ATOM 0 H SER A 2 5.933 22.407 -0.907 1.00 0.00 H new ATOM 0 HA SER A 2 5.925 20.051 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.343 22.182 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.252 21.200 -0.479 1.00 0.00 H new ATOM 0 HG SER A 2 2.919 20.918 1.799 1.00 0.00 H new ATOM 19 N SER A 3 4.300 19.691 -2.517 1.00 0.00 N ATOM 20 CA SER A 3 3.801 18.703 -3.466 1.00 0.00 C ATOM 21 C SER A 3 4.714 17.481 -3.509 1.00 0.00 C ATOM 22 O SER A 3 5.891 17.559 -3.161 1.00 0.00 O ATOM 23 CB SER A 3 3.688 19.318 -4.863 1.00 0.00 C ATOM 24 OG SER A 3 4.957 19.399 -5.489 1.00 0.00 O ATOM 0 H SER A 3 4.231 20.657 -2.838 1.00 0.00 H new ATOM 0 HA SER A 3 2.812 18.385 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.015 18.717 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.250 20.314 -4.791 1.00 0.00 H new ATOM 0 HG SER A 3 4.857 19.794 -6.381 1.00 0.00 H new ATOM 30 N GLY A 4 4.160 16.351 -3.939 1.00 0.00 N ATOM 31 CA GLY A 4 4.937 15.128 -4.020 1.00 0.00 C ATOM 32 C GLY A 4 5.832 15.089 -5.242 1.00 0.00 C ATOM 33 O GLY A 4 5.752 15.963 -6.106 1.00 0.00 O ATOM 0 H GLY A 4 3.187 16.261 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.548 15.030 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.261 14.273 -4.041 1.00 0.00 H new ATOM 37 N SER A 5 6.687 14.074 -5.316 1.00 0.00 N ATOM 38 CA SER A 5 7.605 13.928 -6.440 1.00 0.00 C ATOM 39 C SER A 5 7.486 12.539 -7.060 1.00 0.00 C ATOM 40 O SER A 5 7.220 11.558 -6.367 1.00 0.00 O ATOM 41 CB SER A 5 9.044 14.175 -5.985 1.00 0.00 C ATOM 42 OG SER A 5 9.273 15.551 -5.739 1.00 0.00 O ATOM 0 H SER A 5 6.763 13.341 -4.611 1.00 0.00 H new ATOM 0 HA SER A 5 7.339 14.668 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.246 13.602 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.736 13.819 -6.748 1.00 0.00 H new ATOM 0 HG SER A 5 10.200 15.681 -5.448 1.00 0.00 H new ATOM 48 N SER A 6 7.686 12.466 -8.372 1.00 0.00 N ATOM 49 CA SER A 6 7.598 11.199 -9.089 1.00 0.00 C ATOM 50 C SER A 6 8.399 11.252 -10.386 1.00 0.00 C ATOM 51 O SER A 6 8.892 12.307 -10.782 1.00 0.00 O ATOM 52 CB SER A 6 6.137 10.860 -9.392 1.00 0.00 C ATOM 53 OG SER A 6 5.637 11.658 -10.451 1.00 0.00 O ATOM 0 H SER A 6 7.910 13.269 -8.960 1.00 0.00 H new ATOM 0 HA SER A 6 8.020 10.420 -8.453 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.052 9.806 -9.656 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.532 11.015 -8.499 1.00 0.00 H new ATOM 0 HG SER A 6 4.702 11.421 -10.626 1.00 0.00 H new ATOM 59 N GLY A 7 8.524 10.103 -11.045 1.00 0.00 N ATOM 60 CA GLY A 7 9.266 10.039 -12.290 1.00 0.00 C ATOM 61 C GLY A 7 8.922 8.810 -13.108 1.00 0.00 C ATOM 62 O GLY A 7 9.144 7.683 -12.667 1.00 0.00 O ATOM 0 H GLY A 7 8.124 9.216 -10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.060 10.933 -12.879 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.334 10.040 -12.073 1.00 0.00 H new ATOM 66 N GLN A 8 8.378 9.027 -14.300 1.00 0.00 N ATOM 67 CA GLN A 8 8.001 7.927 -15.180 1.00 0.00 C ATOM 68 C GLN A 8 9.093 7.653 -16.208 1.00 0.00 C ATOM 69 O GLN A 8 9.418 8.513 -17.026 1.00 0.00 O ATOM 70 CB GLN A 8 6.683 8.242 -15.889 1.00 0.00 C ATOM 71 CG GLN A 8 6.722 9.526 -16.703 1.00 0.00 C ATOM 72 CD GLN A 8 5.375 9.877 -17.305 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.379 10.006 -16.593 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.338 10.034 -18.623 1.00 0.00 N ATOM 0 H GLN A 8 8.188 9.955 -14.679 1.00 0.00 H new ATOM 0 HA GLN A 8 7.872 7.034 -14.569 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.427 7.412 -16.547 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.889 8.317 -15.146 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.056 10.345 -16.066 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.457 9.423 -17.501 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.188 9.918 -19.175 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.459 10.271 -19.084 1.00 0.00 H new ATOM 83 N GLU A 9 9.655 6.449 -16.160 1.00 0.00 N ATOM 84 CA GLU A 9 10.712 6.063 -17.087 1.00 0.00 C ATOM 85 C GLU A 9 10.483 4.650 -17.616 1.00 0.00 C ATOM 86 O GLU A 9 9.854 3.823 -16.956 1.00 0.00 O ATOM 87 CB GLU A 9 12.078 6.148 -16.403 1.00 0.00 C ATOM 88 CG GLU A 9 13.223 6.431 -17.362 1.00 0.00 C ATOM 89 CD GLU A 9 13.020 7.710 -18.151 1.00 0.00 C ATOM 90 OE1 GLU A 9 12.420 8.657 -17.600 1.00 0.00 O ATOM 91 OE2 GLU A 9 13.459 7.763 -19.318 1.00 0.00 O ATOM 0 H GLU A 9 9.396 5.725 -15.490 1.00 0.00 H new ATOM 0 HA GLU A 9 10.692 6.755 -17.929 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.048 6.931 -15.646 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.274 5.210 -15.884 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.154 6.499 -16.800 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.328 5.595 -18.053 1.00 0.00 H new ATOM 98 N SER A 10 10.998 4.381 -18.812 1.00 0.00 N ATOM 99 CA SER A 10 10.846 3.070 -19.432 1.00 0.00 C ATOM 100 C SER A 10 11.662 2.019 -18.686 1.00 0.00 C ATOM 101 O SER A 10 11.117 1.037 -18.180 1.00 0.00 O ATOM 102 CB SER A 10 11.279 3.123 -20.898 1.00 0.00 C ATOM 103 OG SER A 10 10.334 3.828 -21.684 1.00 0.00 O ATOM 0 H SER A 10 11.524 5.053 -19.370 1.00 0.00 H new ATOM 0 HA SER A 10 9.794 2.791 -19.382 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.253 3.606 -20.975 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.394 2.110 -21.283 1.00 0.00 H new ATOM 0 HG SER A 10 10.635 3.849 -22.616 1.00 0.00 H new ATOM 109 N VAL A 11 12.972 2.231 -18.622 1.00 0.00 N ATOM 110 CA VAL A 11 13.865 1.304 -17.938 1.00 0.00 C ATOM 111 C VAL A 11 13.281 0.864 -16.600 1.00 0.00 C ATOM 112 O VAL A 11 12.752 1.680 -15.845 1.00 0.00 O ATOM 113 CB VAL A 11 15.251 1.931 -17.699 1.00 0.00 C ATOM 114 CG1 VAL A 11 16.221 0.894 -17.155 1.00 0.00 C ATOM 115 CG2 VAL A 11 15.784 2.550 -18.983 1.00 0.00 C ATOM 0 H VAL A 11 13.439 3.038 -19.036 1.00 0.00 H new ATOM 0 HA VAL A 11 13.975 0.435 -18.587 1.00 0.00 H new ATOM 0 HB VAL A 11 15.149 2.722 -16.956 1.00 0.00 H new ATOM 0 HG11 VAL A 11 17.195 1.356 -16.993 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.843 0.503 -16.210 1.00 0.00 H new ATOM 0 HG13 VAL A 11 16.321 0.079 -17.871 1.00 0.00 H new ATOM 0 HG21 VAL A 11 16.764 2.989 -18.796 1.00 0.00 H new ATOM 0 HG22 VAL A 11 15.871 1.780 -19.749 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.099 3.326 -19.325 1.00 0.00 H new ATOM 125 N GLU A 12 13.380 -0.430 -16.313 1.00 0.00 N ATOM 126 CA GLU A 12 12.861 -0.977 -15.066 1.00 0.00 C ATOM 127 C GLU A 12 13.965 -1.675 -14.276 1.00 0.00 C ATOM 128 O GLU A 12 14.717 -2.483 -14.822 1.00 0.00 O ATOM 129 CB GLU A 12 11.722 -1.959 -15.349 1.00 0.00 C ATOM 130 CG GLU A 12 12.146 -3.159 -16.179 1.00 0.00 C ATOM 131 CD GLU A 12 12.525 -2.783 -17.598 1.00 0.00 C ATOM 132 OE1 GLU A 12 11.921 -1.834 -18.140 1.00 0.00 O ATOM 133 OE2 GLU A 12 13.424 -3.437 -18.166 1.00 0.00 O ATOM 0 H GLU A 12 13.815 -1.119 -16.927 1.00 0.00 H new ATOM 0 HA GLU A 12 12.478 -0.150 -14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.312 -2.309 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.921 -1.433 -15.868 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.993 -3.647 -15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.333 -3.884 -16.204 1.00 0.00 H new ATOM 140 N ASP A 13 14.055 -1.358 -12.990 1.00 0.00 N ATOM 141 CA ASP A 13 15.066 -1.954 -12.124 1.00 0.00 C ATOM 142 C ASP A 13 14.428 -2.912 -11.123 1.00 0.00 C ATOM 143 O ASP A 13 14.299 -2.594 -9.940 1.00 0.00 O ATOM 144 CB ASP A 13 15.841 -0.863 -11.383 1.00 0.00 C ATOM 145 CG ASP A 13 16.364 0.211 -12.316 1.00 0.00 C ATOM 146 OD1 ASP A 13 16.604 -0.098 -13.502 1.00 0.00 O ATOM 147 OD2 ASP A 13 16.532 1.362 -11.860 1.00 0.00 O ATOM 0 H ASP A 13 13.440 -0.691 -12.523 1.00 0.00 H new ATOM 0 HA ASP A 13 15.758 -2.519 -12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.194 -0.406 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.677 -1.314 -10.849 1.00 0.00 H new ATOM 152 N SER A 14 14.029 -4.084 -11.605 1.00 0.00 N ATOM 153 CA SER A 14 13.400 -5.087 -10.753 1.00 0.00 C ATOM 154 C SER A 14 12.094 -4.559 -10.167 1.00 0.00 C ATOM 155 O SER A 14 11.858 -4.651 -8.961 1.00 0.00 O ATOM 156 CB SER A 14 14.349 -5.497 -9.625 1.00 0.00 C ATOM 157 OG SER A 14 15.196 -6.557 -10.033 1.00 0.00 O ATOM 0 H SER A 14 14.130 -4.363 -12.581 1.00 0.00 H new ATOM 0 HA SER A 14 13.177 -5.960 -11.366 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.952 -4.641 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.772 -5.803 -8.753 1.00 0.00 H new ATOM 0 HG SER A 14 15.794 -6.800 -9.296 1.00 0.00 H new ATOM 163 N LEU A 15 11.247 -4.005 -11.028 1.00 0.00 N ATOM 164 CA LEU A 15 9.964 -3.462 -10.598 1.00 0.00 C ATOM 165 C LEU A 15 8.880 -4.535 -10.628 1.00 0.00 C ATOM 166 O LEU A 15 8.874 -5.401 -11.502 1.00 0.00 O ATOM 167 CB LEU A 15 9.560 -2.287 -11.491 1.00 0.00 C ATOM 168 CG LEU A 15 10.045 -0.907 -11.046 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.942 0.089 -12.190 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.249 -0.424 -9.842 1.00 0.00 C ATOM 0 H LEU A 15 11.426 -3.920 -12.029 1.00 0.00 H new ATOM 0 HA LEU A 15 10.072 -3.110 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.936 -2.475 -12.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.472 -2.264 -11.557 1.00 0.00 H new ATOM 0 HG LEU A 15 11.092 -0.988 -10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.291 1.066 -11.855 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.557 -0.250 -13.024 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.904 0.166 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.608 0.560 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.193 -0.360 -10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.375 -1.126 -9.017 1.00 0.00 H new ATOM 182 N ALA A 16 7.964 -4.470 -9.668 1.00 0.00 N ATOM 183 CA ALA A 16 6.873 -5.433 -9.587 1.00 0.00 C ATOM 184 C ALA A 16 5.524 -4.728 -9.489 1.00 0.00 C ATOM 185 O ALA A 16 5.383 -3.728 -8.784 1.00 0.00 O ATOM 186 CB ALA A 16 7.074 -6.359 -8.396 1.00 0.00 C ATOM 0 H ALA A 16 7.956 -3.760 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 16 6.877 -6.027 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.252 -7.073 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.016 -6.897 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.099 -5.771 -7.478 1.00 0.00 H new ATOM 192 N THR A 17 4.533 -5.254 -10.202 1.00 0.00 N ATOM 193 CA THR A 17 3.196 -4.675 -10.197 1.00 0.00 C ATOM 194 C THR A 17 2.519 -4.864 -8.844 1.00 0.00 C ATOM 195 O THR A 17 2.090 -5.967 -8.503 1.00 0.00 O ATOM 196 CB THR A 17 2.310 -5.296 -11.293 1.00 0.00 C ATOM 197 OG1 THR A 17 2.967 -5.208 -12.563 1.00 0.00 O ATOM 198 CG2 THR A 17 0.963 -4.593 -11.364 1.00 0.00 C ATOM 0 H THR A 17 4.632 -6.081 -10.791 1.00 0.00 H new ATOM 0 HA THR A 17 3.313 -3.610 -10.396 1.00 0.00 H new ATOM 0 HB THR A 17 2.142 -6.344 -11.043 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.398 -5.607 -13.254 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.355 -5.049 -12.145 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.452 -4.687 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.115 -3.538 -11.592 1.00 0.00 H new ATOM 206 N VAL A 18 2.426 -3.783 -8.078 1.00 0.00 N ATOM 207 CA VAL A 18 1.799 -3.830 -6.762 1.00 0.00 C ATOM 208 C VAL A 18 0.453 -3.115 -6.769 1.00 0.00 C ATOM 209 O VAL A 18 0.387 -1.893 -6.911 1.00 0.00 O ATOM 210 CB VAL A 18 2.701 -3.194 -5.688 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.986 -3.153 -4.346 1.00 0.00 C ATOM 212 CG2 VAL A 18 4.015 -3.953 -5.578 1.00 0.00 C ATOM 0 H VAL A 18 2.777 -2.863 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 18 1.647 -4.882 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 18 2.923 -2.169 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.639 -2.700 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.075 -2.562 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.731 -4.167 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.640 -3.490 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.815 -4.989 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.533 -3.925 -6.537 1.00 0.00 H new ATOM 222 N LYS A 19 -0.620 -3.883 -6.613 1.00 0.00 N ATOM 223 CA LYS A 19 -1.966 -3.324 -6.599 1.00 0.00 C ATOM 224 C LYS A 19 -2.332 -2.821 -5.206 1.00 0.00 C ATOM 225 O LYS A 19 -1.912 -3.391 -4.199 1.00 0.00 O ATOM 226 CB LYS A 19 -2.981 -4.374 -7.057 1.00 0.00 C ATOM 227 CG LYS A 19 -2.780 -4.829 -8.492 1.00 0.00 C ATOM 228 CD LYS A 19 -3.985 -5.599 -9.006 1.00 0.00 C ATOM 229 CE LYS A 19 -3.930 -5.776 -10.516 1.00 0.00 C ATOM 230 NZ LYS A 19 -2.858 -6.725 -10.925 1.00 0.00 N ATOM 0 H LYS A 19 -0.583 -4.895 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.989 -2.480 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.918 -5.240 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.986 -3.966 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.603 -3.962 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.892 -5.457 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.026 -6.576 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.899 -5.071 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.893 -6.140 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.759 -4.809 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.939 -6.923 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.928 -6.304 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.957 -7.612 -10.391 1.00 0.00 H new ATOM 244 N VAL A 20 -3.119 -1.751 -5.156 1.00 0.00 N ATOM 245 CA VAL A 20 -3.543 -1.173 -3.887 1.00 0.00 C ATOM 246 C VAL A 20 -5.062 -1.060 -3.815 1.00 0.00 C ATOM 247 O VAL A 20 -5.691 -0.447 -4.678 1.00 0.00 O ATOM 248 CB VAL A 20 -2.925 0.221 -3.670 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.526 0.887 -2.441 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.412 0.119 -3.545 1.00 0.00 C ATOM 0 H VAL A 20 -3.476 -1.267 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.193 -1.843 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.154 0.840 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.077 1.871 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.602 0.995 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.330 0.273 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.992 1.113 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.159 -0.516 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.000 -0.313 -4.457 1.00 0.00 H new ATOM 260 N VAL A 21 -5.646 -1.654 -2.779 1.00 0.00 N ATOM 261 CA VAL A 21 -7.092 -1.620 -2.593 1.00 0.00 C ATOM 262 C VAL A 21 -7.461 -0.934 -1.282 1.00 0.00 C ATOM 263 O VAL A 21 -6.966 -1.303 -0.216 1.00 0.00 O ATOM 264 CB VAL A 21 -7.694 -3.037 -2.606 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.182 -2.988 -2.295 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.442 -3.711 -3.946 1.00 0.00 C ATOM 0 H VAL A 21 -5.140 -2.165 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.505 -1.051 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.205 -3.628 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.590 -3.999 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.333 -2.549 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.691 -2.381 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.874 -4.712 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.902 -3.124 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.369 -3.781 -4.122 1.00 0.00 H new ATOM 276 N LEU A 22 -8.332 0.065 -1.368 1.00 0.00 N ATOM 277 CA LEU A 22 -8.769 0.803 -0.188 1.00 0.00 C ATOM 278 C LEU A 22 -9.801 0.005 0.602 1.00 0.00 C ATOM 279 O LEU A 22 -10.821 -0.420 0.058 1.00 0.00 O ATOM 280 CB LEU A 22 -9.356 2.155 -0.596 1.00 0.00 C ATOM 281 CG LEU A 22 -8.346 3.246 -0.952 1.00 0.00 C ATOM 282 CD1 LEU A 22 -9.038 4.410 -1.644 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.614 3.722 0.294 1.00 0.00 C ATOM 0 H LEU A 22 -8.750 0.383 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.900 0.969 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.011 2.000 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.980 2.518 0.220 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.614 2.825 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.303 5.176 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.515 4.058 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.793 4.831 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.899 4.498 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.333 4.125 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.084 2.884 0.747 1.00 0.00 H new ATOM 295 N ILE A 23 -9.530 -0.194 1.888 1.00 0.00 N ATOM 296 CA ILE A 23 -10.437 -0.937 2.753 1.00 0.00 C ATOM 297 C ILE A 23 -11.698 -0.132 3.050 1.00 0.00 C ATOM 298 O ILE A 23 -12.817 -0.557 2.763 1.00 0.00 O ATOM 299 CB ILE A 23 -9.761 -1.319 4.083 1.00 0.00 C ATOM 300 CG1 ILE A 23 -9.092 -2.690 3.965 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.777 -1.315 5.215 1.00 0.00 C ATOM 302 CD1 ILE A 23 -10.036 -3.787 3.527 1.00 0.00 C ATOM 0 H ILE A 23 -8.690 0.149 2.353 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.707 -1.847 2.218 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.993 -0.579 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.269 -2.624 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.659 -2.958 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.283 -1.587 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.211 -0.320 5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.566 -2.035 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.494 -4.730 3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.846 -3.881 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.450 -3.542 2.549 1.00 0.00 H new ATOM 314 N PRO A 24 -11.514 1.060 3.636 1.00 0.00 N ATOM 315 CA PRO A 24 -12.625 1.951 3.982 1.00 0.00 C ATOM 316 C PRO A 24 -13.293 2.551 2.750 1.00 0.00 C ATOM 317 O PRO A 24 -14.450 2.968 2.799 1.00 0.00 O ATOM 318 CB PRO A 24 -11.955 3.048 4.814 1.00 0.00 C ATOM 319 CG PRO A 24 -10.536 3.054 4.359 1.00 0.00 C ATOM 320 CD PRO A 24 -10.208 1.630 4.006 1.00 0.00 C ATOM 0 HA PRO A 24 -13.421 1.424 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.428 4.016 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.028 2.836 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.405 3.709 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.876 3.423 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.497 1.574 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.762 1.100 4.848 1.00 0.00 H new ATOM 328 N VAL A 25 -12.557 2.591 1.644 1.00 0.00 N ATOM 329 CA VAL A 25 -13.079 3.138 0.397 1.00 0.00 C ATOM 330 C VAL A 25 -13.498 2.026 -0.558 1.00 0.00 C ATOM 331 O VAL A 25 -14.653 1.955 -0.976 1.00 0.00 O ATOM 332 CB VAL A 25 -12.039 4.035 -0.301 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.722 4.994 -1.263 1.00 0.00 C ATOM 334 CG2 VAL A 25 -11.216 4.795 0.728 1.00 0.00 C ATOM 0 H VAL A 25 -11.597 2.251 1.586 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.951 3.739 0.655 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.364 3.401 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.972 5.620 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.264 4.426 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.421 5.625 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.486 5.424 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.875 5.420 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.696 4.087 1.373 1.00 0.00 H new ATOM 344 N GLY A 26 -12.550 1.159 -0.900 1.00 0.00 N ATOM 345 CA GLY A 26 -12.840 0.061 -1.804 1.00 0.00 C ATOM 346 C GLY A 26 -12.326 0.314 -3.208 1.00 0.00 C ATOM 347 O GLY A 26 -12.472 -0.531 -4.090 1.00 0.00 O ATOM 0 H GLY A 26 -11.587 1.197 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.392 -0.853 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.917 -0.102 -1.839 1.00 0.00 H new ATOM 351 N GLN A 27 -11.725 1.481 -3.414 1.00 0.00 N ATOM 352 CA GLN A 27 -11.190 1.844 -4.722 1.00 0.00 C ATOM 353 C GLN A 27 -9.881 1.111 -4.996 1.00 0.00 C ATOM 354 O GLN A 27 -9.108 0.838 -4.079 1.00 0.00 O ATOM 355 CB GLN A 27 -10.969 3.355 -4.805 1.00 0.00 C ATOM 356 CG GLN A 27 -10.947 3.889 -6.228 1.00 0.00 C ATOM 357 CD GLN A 27 -10.794 5.396 -6.283 1.00 0.00 C ATOM 358 OE1 GLN A 27 -11.699 6.138 -5.898 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.645 5.858 -6.763 1.00 0.00 N ATOM 0 H GLN A 27 -11.596 2.191 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.917 1.549 -5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.758 3.860 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.026 3.603 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.126 3.424 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.869 3.602 -6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.922 5.207 -7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.485 6.864 -6.824 1.00 0.00 H new ATOM 368 N GLU A 28 -9.640 0.795 -6.265 1.00 0.00 N ATOM 369 CA GLU A 28 -8.425 0.092 -6.659 1.00 0.00 C ATOM 370 C GLU A 28 -7.425 1.051 -7.300 1.00 0.00 C ATOM 371 O GLU A 28 -7.803 1.937 -8.066 1.00 0.00 O ATOM 372 CB GLU A 28 -8.757 -1.040 -7.633 1.00 0.00 C ATOM 373 CG GLU A 28 -9.141 -2.341 -6.947 1.00 0.00 C ATOM 374 CD GLU A 28 -9.290 -3.493 -7.921 1.00 0.00 C ATOM 375 OE1 GLU A 28 -10.220 -3.449 -8.753 1.00 0.00 O ATOM 376 OE2 GLU A 28 -8.477 -4.438 -7.850 1.00 0.00 O ATOM 0 H GLU A 28 -10.270 1.015 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.974 -0.331 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.576 -0.724 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.895 -1.219 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.383 -2.593 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.079 -2.201 -6.410 1.00 0.00 H new ATOM 383 N ILE A 29 -6.149 0.867 -6.978 1.00 0.00 N ATOM 384 CA ILE A 29 -5.095 1.715 -7.522 1.00 0.00 C ATOM 385 C ILE A 29 -3.891 0.886 -7.954 1.00 0.00 C ATOM 386 O ILE A 29 -3.472 -0.033 -7.251 1.00 0.00 O ATOM 387 CB ILE A 29 -4.637 2.770 -6.498 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.802 3.690 -6.125 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.474 3.578 -7.054 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.466 4.675 -5.027 1.00 0.00 C ATOM 0 H ILE A 29 -5.820 0.139 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.515 2.222 -8.391 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.300 2.258 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.118 4.240 -7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.649 3.081 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.162 4.319 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.640 2.911 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.786 4.083 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.337 5.294 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.178 4.132 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.640 5.309 -5.348 1.00 0.00 H new ATOM 402 N VAL A 30 -3.336 1.219 -9.116 1.00 0.00 N ATOM 403 CA VAL A 30 -2.178 0.507 -9.641 1.00 0.00 C ATOM 404 C VAL A 30 -0.972 1.433 -9.761 1.00 0.00 C ATOM 405 O VAL A 30 -1.061 2.512 -10.346 1.00 0.00 O ATOM 406 CB VAL A 30 -2.476 -0.110 -11.021 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.209 -0.689 -11.632 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.557 -1.174 -10.906 1.00 0.00 C ATOM 0 H VAL A 30 -3.670 1.977 -9.711 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.951 -0.292 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.842 0.677 -11.681 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.439 -1.120 -12.606 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.468 0.102 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.811 -1.464 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.755 -1.599 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.222 -1.962 -10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.470 -0.725 -10.515 1.00 0.00 H new ATOM 418 N ILE A 31 0.155 1.002 -9.203 1.00 0.00 N ATOM 419 CA ILE A 31 1.379 1.792 -9.248 1.00 0.00 C ATOM 420 C ILE A 31 2.611 0.903 -9.118 1.00 0.00 C ATOM 421 O ILE A 31 2.672 0.002 -8.282 1.00 0.00 O ATOM 422 CB ILE A 31 1.406 2.854 -8.133 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.618 3.773 -8.303 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.428 2.186 -6.766 1.00 0.00 C ATOM 425 CD1 ILE A 31 2.822 4.723 -7.144 1.00 0.00 C ATOM 0 H ILE A 31 0.245 0.111 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 31 1.395 2.294 -10.216 1.00 0.00 H new ATOM 0 HB ILE A 31 0.502 3.459 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.513 3.162 -8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.500 4.351 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.447 2.949 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.537 1.570 -6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.316 1.560 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.698 5.344 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.943 5.359 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.972 4.152 -6.228 1.00 0.00 H new ATOM 437 N PRO A 32 3.620 1.163 -9.964 1.00 0.00 N ATOM 438 CA PRO A 32 4.871 0.399 -9.961 1.00 0.00 C ATOM 439 C PRO A 32 5.713 0.669 -8.719 1.00 0.00 C ATOM 440 O PRO A 32 5.900 1.820 -8.322 1.00 0.00 O ATOM 441 CB PRO A 32 5.593 0.897 -11.216 1.00 0.00 C ATOM 442 CG PRO A 32 5.047 2.263 -11.450 1.00 0.00 C ATOM 443 CD PRO A 32 3.617 2.222 -10.986 1.00 0.00 C ATOM 0 HA PRO A 32 4.692 -0.676 -9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.673 0.922 -11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.403 0.244 -12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.616 3.011 -10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.108 2.532 -12.504 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.302 3.179 -10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.936 1.989 -11.804 1.00 0.00 H new ATOM 451 N PHE A 33 6.220 -0.397 -8.110 1.00 0.00 N ATOM 452 CA PHE A 33 7.042 -0.275 -6.912 1.00 0.00 C ATOM 453 C PHE A 33 8.244 -1.212 -6.979 1.00 0.00 C ATOM 454 O PHE A 33 8.211 -2.235 -7.663 1.00 0.00 O ATOM 455 CB PHE A 33 6.211 -0.581 -5.664 1.00 0.00 C ATOM 456 CG PHE A 33 6.812 -0.043 -4.397 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.283 1.258 -4.336 1.00 0.00 C ATOM 458 CD2 PHE A 33 6.906 -0.839 -3.266 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.836 1.757 -3.171 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.458 -0.346 -2.099 1.00 0.00 C ATOM 461 CZ PHE A 33 7.924 0.953 -2.052 1.00 0.00 C ATOM 0 H PHE A 33 6.076 -1.356 -8.426 1.00 0.00 H new ATOM 0 HA PHE A 33 7.406 0.751 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.213 -0.161 -5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.094 -1.661 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.218 1.890 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.544 -1.856 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.198 2.774 -3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.525 -0.976 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.357 1.340 -1.141 1.00 0.00 H new ATOM 471 N LYS A 34 9.306 -0.854 -6.264 1.00 0.00 N ATOM 472 CA LYS A 34 10.520 -1.661 -6.241 1.00 0.00 C ATOM 473 C LYS A 34 10.442 -2.729 -5.154 1.00 0.00 C ATOM 474 O LYS A 34 10.099 -2.439 -4.008 1.00 0.00 O ATOM 475 CB LYS A 34 11.744 -0.772 -6.011 1.00 0.00 C ATOM 476 CG LYS A 34 12.347 -0.224 -7.292 1.00 0.00 C ATOM 477 CD LYS A 34 11.391 0.723 -7.998 1.00 0.00 C ATOM 478 CE LYS A 34 11.537 2.147 -7.485 1.00 0.00 C ATOM 479 NZ LYS A 34 10.938 3.138 -8.421 1.00 0.00 N ATOM 0 H LYS A 34 9.350 -0.010 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 34 10.616 -2.157 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.462 0.061 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.503 -1.344 -5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.276 0.299 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.601 -1.049 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.581 0.700 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.366 0.385 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.058 2.233 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.593 2.375 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.058 4.096 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.412 3.074 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.924 2.936 -8.538 1.00 0.00 H new ATOM 493 N VAL A 35 10.766 -3.965 -5.520 1.00 0.00 N ATOM 494 CA VAL A 35 10.735 -5.075 -4.576 1.00 0.00 C ATOM 495 C VAL A 35 11.907 -5.002 -3.604 1.00 0.00 C ATOM 496 O VAL A 35 11.857 -5.567 -2.511 1.00 0.00 O ATOM 497 CB VAL A 35 10.770 -6.432 -5.304 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.610 -6.545 -6.281 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.100 -6.619 -6.019 1.00 0.00 C ATOM 0 H VAL A 35 11.053 -4.223 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 35 9.800 -4.993 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 35 10.667 -7.224 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.652 -7.510 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.668 -6.459 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.677 -5.746 -7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.107 -7.583 -6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.235 -5.822 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.912 -6.586 -5.292 1.00 0.00 H new ATOM 509 N ASP A 36 12.961 -4.303 -4.008 1.00 0.00 N ATOM 510 CA ASP A 36 14.147 -4.153 -3.172 1.00 0.00 C ATOM 511 C ASP A 36 13.982 -2.992 -2.198 1.00 0.00 C ATOM 512 O ASP A 36 14.585 -2.976 -1.124 1.00 0.00 O ATOM 513 CB ASP A 36 15.386 -3.934 -4.041 1.00 0.00 C ATOM 514 CG ASP A 36 15.454 -2.530 -4.609 1.00 0.00 C ATOM 515 OD1 ASP A 36 15.627 -1.579 -3.819 1.00 0.00 O ATOM 516 OD2 ASP A 36 15.332 -2.382 -5.843 1.00 0.00 O ATOM 0 H ASP A 36 13.019 -3.831 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 36 14.274 -5.070 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.280 -4.127 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.384 -4.654 -4.859 1.00 0.00 H new ATOM 521 N THR A 37 13.161 -2.018 -2.579 1.00 0.00 N ATOM 522 CA THR A 37 12.918 -0.851 -1.740 1.00 0.00 C ATOM 523 C THR A 37 11.862 -1.145 -0.681 1.00 0.00 C ATOM 524 O THR A 37 10.797 -1.683 -0.986 1.00 0.00 O ATOM 525 CB THR A 37 12.464 0.359 -2.579 1.00 0.00 C ATOM 526 OG1 THR A 37 13.408 0.611 -3.626 1.00 0.00 O ATOM 527 CG2 THR A 37 12.322 1.598 -1.709 1.00 0.00 C ATOM 0 H THR A 37 12.653 -2.014 -3.464 1.00 0.00 H new ATOM 0 HA THR A 37 13.862 -0.612 -1.251 1.00 0.00 H new ATOM 0 HB THR A 37 11.492 0.127 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.156 -0.018 -3.551 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.001 2.439 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.582 1.413 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.282 1.831 -1.248 1.00 0.00 H new ATOM 535 N ILE A 38 12.163 -0.789 0.563 1.00 0.00 N ATOM 536 CA ILE A 38 11.238 -1.013 1.667 1.00 0.00 C ATOM 537 C ILE A 38 9.834 -0.533 1.314 1.00 0.00 C ATOM 538 O ILE A 38 9.612 0.040 0.247 1.00 0.00 O ATOM 539 CB ILE A 38 11.706 -0.299 2.948 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.044 1.163 2.648 1.00 0.00 C ATOM 541 CG2 ILE A 38 12.909 -1.014 3.544 1.00 0.00 C ATOM 542 CD1 ILE A 38 12.592 1.914 3.842 1.00 0.00 C ATOM 0 H ILE A 38 13.041 -0.344 0.832 1.00 0.00 H new ATOM 0 HA ILE A 38 11.217 -2.088 1.848 1.00 0.00 H new ATOM 0 HB ILE A 38 10.896 -0.324 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.774 1.200 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.147 1.669 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.228 -0.497 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.637 -2.041 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.725 -1.017 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.809 2.943 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.855 1.908 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.507 1.432 4.186 1.00 0.00 H new ATOM 554 N LEU A 39 8.890 -0.769 2.218 1.00 0.00 N ATOM 555 CA LEU A 39 7.507 -0.359 2.004 1.00 0.00 C ATOM 556 C LEU A 39 7.313 1.111 2.363 1.00 0.00 C ATOM 557 O LEU A 39 6.472 1.798 1.782 1.00 0.00 O ATOM 558 CB LEU A 39 6.562 -1.227 2.836 1.00 0.00 C ATOM 559 CG LEU A 39 6.383 -2.670 2.361 1.00 0.00 C ATOM 560 CD1 LEU A 39 5.943 -3.560 3.513 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.378 -2.735 1.220 1.00 0.00 C ATOM 0 H LEU A 39 9.057 -1.242 3.106 1.00 0.00 H new ATOM 0 HA LEU A 39 7.275 -0.490 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.928 -1.246 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.583 -0.748 2.855 1.00 0.00 H new ATOM 0 HG LEU A 39 7.343 -3.034 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.821 -4.583 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.698 -3.538 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.995 -3.198 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.263 -3.769 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.416 -2.353 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.734 -2.130 0.386 1.00 0.00 H new ATOM 573 N LYS A 40 8.098 1.589 3.322 1.00 0.00 N ATOM 574 CA LYS A 40 8.016 2.978 3.757 1.00 0.00 C ATOM 575 C LYS A 40 7.920 3.919 2.560 1.00 0.00 C ATOM 576 O LYS A 40 6.964 4.684 2.434 1.00 0.00 O ATOM 577 CB LYS A 40 9.236 3.341 4.607 1.00 0.00 C ATOM 578 CG LYS A 40 8.998 4.510 5.547 1.00 0.00 C ATOM 579 CD LYS A 40 10.304 5.160 5.971 1.00 0.00 C ATOM 580 CE LYS A 40 10.745 6.224 4.977 1.00 0.00 C ATOM 581 NZ LYS A 40 11.338 5.626 3.750 1.00 0.00 N ATOM 0 H LYS A 40 8.799 1.034 3.813 1.00 0.00 H new ATOM 0 HA LYS A 40 7.114 3.091 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.533 2.470 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.070 3.581 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.365 5.249 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.459 4.165 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.185 5.609 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.079 4.399 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.890 6.841 4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.475 6.882 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.024 6.289 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.820 4.737 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.585 5.433 3.059 1.00 0.00 H new ATOM 595 N TYR A 41 8.915 3.855 1.682 1.00 0.00 N ATOM 596 CA TYR A 41 8.943 4.701 0.495 1.00 0.00 C ATOM 597 C TYR A 41 7.534 4.929 -0.045 1.00 0.00 C ATOM 598 O TYR A 41 7.070 6.065 -0.143 1.00 0.00 O ATOM 599 CB TYR A 41 9.820 4.070 -0.587 1.00 0.00 C ATOM 600 CG TYR A 41 11.274 4.478 -0.503 1.00 0.00 C ATOM 601 CD1 TYR A 41 12.122 3.910 0.440 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.799 5.431 -1.367 1.00 0.00 C ATOM 603 CE1 TYR A 41 13.450 4.281 0.520 1.00 0.00 C ATOM 604 CE2 TYR A 41 13.126 5.807 -1.294 1.00 0.00 C ATOM 605 CZ TYR A 41 13.948 5.230 -0.349 1.00 0.00 C ATOM 606 OH TYR A 41 15.271 5.601 -0.273 1.00 0.00 O ATOM 0 H TYR A 41 9.713 3.226 1.770 1.00 0.00 H new ATOM 0 HA TYR A 41 9.365 5.665 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.751 2.985 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.430 4.347 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.736 3.166 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.159 5.886 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 41 14.096 3.830 1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.518 6.549 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 41 15.461 6.278 -0.956 1.00 0.00 H new ATOM 616 N LEU A 42 6.859 3.839 -0.393 1.00 0.00 N ATOM 617 CA LEU A 42 5.502 3.917 -0.923 1.00 0.00 C ATOM 618 C LEU A 42 4.540 4.473 0.122 1.00 0.00 C ATOM 619 O LEU A 42 3.670 5.286 -0.189 1.00 0.00 O ATOM 620 CB LEU A 42 5.032 2.536 -1.381 1.00 0.00 C ATOM 621 CG LEU A 42 3.765 2.507 -2.237 1.00 0.00 C ATOM 622 CD1 LEU A 42 4.053 3.033 -3.635 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.197 1.097 -2.302 1.00 0.00 C ATOM 0 H LEU A 42 7.229 2.891 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 42 5.511 4.593 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.839 2.069 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.863 1.920 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 42 3.022 3.155 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.140 3.005 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.412 4.060 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.813 2.412 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.296 1.096 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.936 0.427 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.952 0.757 -1.296 1.00 0.00 H new ATOM 635 N LYS A 43 4.705 4.032 1.364 1.00 0.00 N ATOM 636 CA LYS A 43 3.855 4.487 2.458 1.00 0.00 C ATOM 637 C LYS A 43 3.714 6.006 2.442 1.00 0.00 C ATOM 638 O LYS A 43 2.644 6.536 2.144 1.00 0.00 O ATOM 639 CB LYS A 43 4.429 4.031 3.801 1.00 0.00 C ATOM 640 CG LYS A 43 3.484 4.247 4.971 1.00 0.00 C ATOM 641 CD LYS A 43 3.705 3.215 6.064 1.00 0.00 C ATOM 642 CE LYS A 43 3.035 1.892 5.725 1.00 0.00 C ATOM 643 NZ LYS A 43 1.550 2.000 5.754 1.00 0.00 N ATOM 0 H LYS A 43 5.421 3.359 1.639 1.00 0.00 H new ATOM 0 HA LYS A 43 2.867 4.047 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.680 2.972 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.358 4.569 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.631 5.247 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.453 4.193 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.774 3.057 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.311 3.593 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.356 1.565 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.358 1.129 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.144 1.110 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.271 2.780 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.197 2.185 4.794 1.00 0.00 H new ATOM 657 N ASP A 44 4.801 6.699 2.762 1.00 0.00 N ATOM 658 CA ASP A 44 4.799 8.157 2.782 1.00 0.00 C ATOM 659 C ASP A 44 4.061 8.716 1.569 1.00 0.00 C ATOM 660 O ASP A 44 3.211 9.598 1.698 1.00 0.00 O ATOM 661 CB ASP A 44 6.232 8.690 2.812 1.00 0.00 C ATOM 662 CG ASP A 44 6.287 10.205 2.807 1.00 0.00 C ATOM 663 OD1 ASP A 44 5.747 10.815 1.860 1.00 0.00 O ATOM 664 OD2 ASP A 44 6.870 10.780 3.749 1.00 0.00 O ATOM 0 H ASP A 44 5.695 6.275 3.011 1.00 0.00 H new ATOM 0 HA ASP A 44 4.279 8.483 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.738 8.314 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.777 8.307 1.949 1.00 0.00 H new ATOM 669 N HIS A 45 4.393 8.199 0.390 1.00 0.00 N ATOM 670 CA HIS A 45 3.762 8.646 -0.846 1.00 0.00 C ATOM 671 C HIS A 45 2.263 8.851 -0.648 1.00 0.00 C ATOM 672 O HIS A 45 1.680 9.798 -1.176 1.00 0.00 O ATOM 673 CB HIS A 45 4.007 7.633 -1.964 1.00 0.00 C ATOM 674 CG HIS A 45 3.846 8.207 -3.338 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.866 8.238 -4.265 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.774 8.773 -3.942 1.00 0.00 C ATOM 677 CE1 HIS A 45 4.430 8.799 -5.379 1.00 0.00 C ATOM 678 NE2 HIS A 45 3.163 9.132 -5.209 1.00 0.00 N ATOM 0 H HIS A 45 5.096 7.470 0.265 1.00 0.00 H new ATOM 0 HA HIS A 45 4.207 9.600 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 45 5.015 7.230 -1.863 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.316 6.798 -1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.795 8.915 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.011 8.958 -6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.570 9.583 -5.906 1.00 0.00 H new ATOM 687 N PHE A 46 1.644 7.956 0.116 1.00 0.00 N ATOM 688 CA PHE A 46 0.213 8.038 0.382 1.00 0.00 C ATOM 689 C PHE A 46 -0.067 8.939 1.582 1.00 0.00 C ATOM 690 O PHE A 46 -0.937 9.808 1.529 1.00 0.00 O ATOM 691 CB PHE A 46 -0.361 6.642 0.633 1.00 0.00 C ATOM 692 CG PHE A 46 -0.746 5.917 -0.624 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.219 5.529 -1.539 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.073 5.623 -0.892 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.131 4.861 -2.697 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.430 4.955 -2.048 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.458 4.575 -2.952 1.00 0.00 C ATOM 0 H PHE A 46 2.111 7.166 0.561 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.270 8.470 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.375 6.048 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.237 6.728 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.258 5.751 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.838 5.919 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.632 4.563 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.468 4.730 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.735 4.055 -3.857 1.00 0.00 H new ATOM 707 N SER A 47 0.677 8.723 2.662 1.00 0.00 N ATOM 708 CA SER A 47 0.507 9.512 3.877 1.00 0.00 C ATOM 709 C SER A 47 0.463 11.002 3.555 1.00 0.00 C ATOM 710 O SER A 47 -0.426 11.722 4.013 1.00 0.00 O ATOM 711 CB SER A 47 1.643 9.224 4.860 1.00 0.00 C ATOM 712 OG SER A 47 2.785 10.009 4.563 1.00 0.00 O ATOM 0 H SER A 47 1.403 8.009 2.721 1.00 0.00 H new ATOM 0 HA SER A 47 -0.441 9.229 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.310 9.431 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.904 8.166 4.819 1.00 0.00 H new ATOM 0 HG SER A 47 3.497 9.808 5.206 1.00 0.00 H new ATOM 718 N HIS A 48 1.428 11.460 2.764 1.00 0.00 N ATOM 719 CA HIS A 48 1.500 12.865 2.379 1.00 0.00 C ATOM 720 C HIS A 48 0.310 13.250 1.505 1.00 0.00 C ATOM 721 O HIS A 48 -0.414 14.199 1.809 1.00 0.00 O ATOM 722 CB HIS A 48 2.806 13.145 1.635 1.00 0.00 C ATOM 723 CG HIS A 48 2.702 12.964 0.152 1.00 0.00 C ATOM 724 ND1 HIS A 48 3.116 11.820 -0.497 1.00 0.00 N ATOM 725 CD2 HIS A 48 2.225 13.789 -0.809 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.900 11.950 -1.794 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.359 13.135 -2.010 1.00 0.00 N ATOM 0 H HIS A 48 2.171 10.878 2.377 1.00 0.00 H new ATOM 0 HA HIS A 48 1.472 13.467 3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.123 14.166 1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.583 12.484 2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.815 14.777 -0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.127 11.212 -2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.085 13.505 -2.920 1.00 0.00 H new ATOM 736 N LEU A 49 0.115 12.510 0.420 1.00 0.00 N ATOM 737 CA LEU A 49 -0.987 12.775 -0.499 1.00 0.00 C ATOM 738 C LEU A 49 -2.314 12.850 0.250 1.00 0.00 C ATOM 739 O LEU A 49 -2.972 13.891 0.267 1.00 0.00 O ATOM 740 CB LEU A 49 -1.055 11.687 -1.572 1.00 0.00 C ATOM 741 CG LEU A 49 -1.997 11.960 -2.745 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.410 12.217 -2.246 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.497 13.138 -3.568 1.00 0.00 C ATOM 0 H LEU A 49 0.705 11.722 0.154 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.806 13.738 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.051 11.531 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.359 10.754 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.015 11.078 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.066 12.409 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.768 11.343 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.410 13.083 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.180 13.318 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.449 14.027 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.504 12.915 -3.957 1.00 0.00 H new ATOM 755 N LEU A 50 -2.702 11.740 0.869 1.00 0.00 N ATOM 756 CA LEU A 50 -3.950 11.680 1.622 1.00 0.00 C ATOM 757 C LEU A 50 -4.014 12.796 2.660 1.00 0.00 C ATOM 758 O LEU A 50 -5.095 13.226 3.057 1.00 0.00 O ATOM 759 CB LEU A 50 -4.089 10.320 2.309 1.00 0.00 C ATOM 760 CG LEU A 50 -4.300 9.120 1.385 1.00 0.00 C ATOM 761 CD1 LEU A 50 -4.224 7.821 2.171 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.634 9.231 0.662 1.00 0.00 C ATOM 0 H LEU A 50 -2.170 10.870 0.864 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.775 11.813 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.193 10.142 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.927 10.370 3.004 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.505 9.116 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.377 6.978 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.244 7.737 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.997 7.815 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.767 8.368 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.442 9.261 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.650 10.143 0.066 1.00 0.00 H new ATOM 774 N GLY A 51 -2.846 13.261 3.094 1.00 0.00 N ATOM 775 CA GLY A 51 -2.792 14.324 4.080 1.00 0.00 C ATOM 776 C GLY A 51 -2.845 13.799 5.502 1.00 0.00 C ATOM 777 O GLY A 51 -3.312 14.490 6.408 1.00 0.00 O ATOM 0 H GLY A 51 -1.937 12.920 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.876 14.898 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.624 15.009 3.917 1.00 0.00 H new ATOM 781 N ILE A 52 -2.367 12.575 5.697 1.00 0.00 N ATOM 782 CA ILE A 52 -2.364 11.959 7.018 1.00 0.00 C ATOM 783 C ILE A 52 -1.043 11.246 7.288 1.00 0.00 C ATOM 784 O ILE A 52 -0.358 10.787 6.374 1.00 0.00 O ATOM 785 CB ILE A 52 -3.518 10.952 7.173 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.483 9.924 6.041 1.00 0.00 C ATOM 787 CG2 ILE A 52 -4.855 11.678 7.194 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.423 8.758 6.253 1.00 0.00 C ATOM 0 H ILE A 52 -1.977 11.991 4.958 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.496 12.764 7.742 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.396 10.426 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.737 10.419 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.466 9.546 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.661 10.953 7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.877 12.375 8.032 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.986 12.227 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.345 8.070 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.156 8.238 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.447 9.125 6.328 1.00 0.00 H new ATOM 800 N PRO A 53 -0.676 11.148 8.574 1.00 0.00 N ATOM 801 CA PRO A 53 0.564 10.490 8.996 1.00 0.00 C ATOM 802 C PRO A 53 0.517 8.979 8.793 1.00 0.00 C ATOM 803 O PRO A 53 -0.524 8.349 8.983 1.00 0.00 O ATOM 804 CB PRO A 53 0.656 10.826 10.486 1.00 0.00 C ATOM 805 CG PRO A 53 -0.753 11.066 10.908 1.00 0.00 C ATOM 806 CD PRO A 53 -1.443 11.672 9.717 1.00 0.00 C ATOM 0 HA PRO A 53 1.422 10.828 8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.104 10.008 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.276 11.707 10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.235 10.135 11.207 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.795 11.736 11.766 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.491 11.377 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.420 12.761 9.751 1.00 0.00 H new ATOM 814 N HIS A 54 1.650 8.403 8.404 1.00 0.00 N ATOM 815 CA HIS A 54 1.738 6.965 8.176 1.00 0.00 C ATOM 816 C HIS A 54 1.674 6.201 9.495 1.00 0.00 C ATOM 817 O HIS A 54 1.594 4.972 9.509 1.00 0.00 O ATOM 818 CB HIS A 54 3.031 6.622 7.437 1.00 0.00 C ATOM 819 CG HIS A 54 4.260 7.171 8.094 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.719 6.731 9.318 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.128 8.128 7.690 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.815 7.395 9.639 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.085 8.248 8.667 1.00 0.00 N ATOM 0 H HIS A 54 2.520 8.910 8.240 1.00 0.00 H new ATOM 0 HA HIS A 54 0.888 6.667 7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.121 5.538 7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.971 7.006 6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.077 8.692 6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.392 7.263 10.542 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.876 8.891 8.646 1.00 0.00 H new ATOM 832 N SER A 55 1.711 6.936 10.602 1.00 0.00 N ATOM 833 CA SER A 55 1.662 6.327 11.926 1.00 0.00 C ATOM 834 C SER A 55 0.360 5.556 12.122 1.00 0.00 C ATOM 835 O SER A 55 0.361 4.431 12.622 1.00 0.00 O ATOM 836 CB SER A 55 1.801 7.399 13.009 1.00 0.00 C ATOM 837 OG SER A 55 1.615 6.846 14.301 1.00 0.00 O ATOM 0 H SER A 55 1.775 7.954 10.608 1.00 0.00 H new ATOM 0 HA SER A 55 2.494 5.627 12.008 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.787 7.859 12.945 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.069 8.189 12.839 1.00 0.00 H new ATOM 0 HG SER A 55 1.710 7.551 14.975 1.00 0.00 H new ATOM 843 N VAL A 56 -0.749 6.170 11.724 1.00 0.00 N ATOM 844 CA VAL A 56 -2.059 5.543 11.854 1.00 0.00 C ATOM 845 C VAL A 56 -2.345 4.619 10.676 1.00 0.00 C ATOM 846 O VAL A 56 -3.027 3.603 10.820 1.00 0.00 O ATOM 847 CB VAL A 56 -3.179 6.596 11.950 1.00 0.00 C ATOM 848 CG1 VAL A 56 -3.102 7.338 13.275 1.00 0.00 C ATOM 849 CG2 VAL A 56 -3.099 7.566 10.781 1.00 0.00 C ATOM 0 H VAL A 56 -0.767 7.101 11.309 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.040 4.959 12.774 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.140 6.084 11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.901 8.078 13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.212 6.629 14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.138 7.840 13.356 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.898 8.303 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.134 8.073 10.794 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.208 7.018 9.845 1.00 0.00 H new ATOM 859 N LEU A 57 -1.820 4.977 9.509 1.00 0.00 N ATOM 860 CA LEU A 57 -2.018 4.179 8.304 1.00 0.00 C ATOM 861 C LEU A 57 -1.117 2.948 8.312 1.00 0.00 C ATOM 862 O LEU A 57 0.054 3.027 8.681 1.00 0.00 O ATOM 863 CB LEU A 57 -1.737 5.022 7.059 1.00 0.00 C ATOM 864 CG LEU A 57 -1.294 4.254 5.813 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.433 3.399 5.280 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.799 5.214 4.742 1.00 0.00 C ATOM 0 H LEU A 57 -1.254 5.814 9.372 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.056 3.847 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.639 5.583 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.965 5.751 7.305 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.471 3.595 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.099 2.860 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.741 2.685 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.277 4.038 5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.488 4.649 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.602 5.899 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.048 5.783 5.126 1.00 0.00 H new ATOM 878 N GLN A 58 -1.673 1.813 7.899 1.00 0.00 N ATOM 879 CA GLN A 58 -0.919 0.565 7.858 1.00 0.00 C ATOM 880 C GLN A 58 -1.253 -0.231 6.601 1.00 0.00 C ATOM 881 O GLN A 58 -2.262 0.024 5.943 1.00 0.00 O ATOM 882 CB GLN A 58 -1.213 -0.275 9.101 1.00 0.00 C ATOM 883 CG GLN A 58 -0.902 0.440 10.406 1.00 0.00 C ATOM 884 CD GLN A 58 0.586 0.539 10.677 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.384 0.737 9.760 1.00 0.00 O ATOM 886 NE2 GLN A 58 0.969 0.401 11.941 1.00 0.00 N ATOM 0 H GLN A 58 -2.641 1.732 7.589 1.00 0.00 H new ATOM 0 HA GLN A 58 0.142 0.812 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.265 -0.562 9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.631 -1.196 9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.330 1.442 10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.383 -0.089 11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.274 0.238 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.958 0.458 12.183 1.00 0.00 H new ATOM 895 N ILE A 59 -0.400 -1.195 6.273 1.00 0.00 N ATOM 896 CA ILE A 59 -0.605 -2.029 5.095 1.00 0.00 C ATOM 897 C ILE A 59 -0.833 -3.486 5.485 1.00 0.00 C ATOM 898 O ILE A 59 -0.295 -3.962 6.485 1.00 0.00 O ATOM 899 CB ILE A 59 0.594 -1.948 4.132 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.797 -0.509 3.655 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.385 -2.880 2.947 1.00 0.00 C ATOM 902 CD1 ILE A 59 2.011 -0.331 2.771 1.00 0.00 C ATOM 0 H ILE A 59 0.440 -1.418 6.807 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.492 -1.648 4.590 1.00 0.00 H new ATOM 0 HB ILE A 59 1.491 -2.264 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.090 -0.187 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.891 0.143 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.241 -2.812 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.284 -3.905 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.520 -2.591 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.092 0.714 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.907 -0.621 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.910 -0.957 1.884 1.00 0.00 H new ATOM 914 N ARG A 60 -1.631 -4.188 4.689 1.00 0.00 N ATOM 915 CA ARG A 60 -1.929 -5.591 4.950 1.00 0.00 C ATOM 916 C ARG A 60 -1.506 -6.466 3.773 1.00 0.00 C ATOM 917 O ARG A 60 -1.768 -6.136 2.616 1.00 0.00 O ATOM 918 CB ARG A 60 -3.423 -5.775 5.225 1.00 0.00 C ATOM 919 CG ARG A 60 -3.869 -7.228 5.220 1.00 0.00 C ATOM 920 CD ARG A 60 -5.077 -7.443 6.117 1.00 0.00 C ATOM 921 NE ARG A 60 -6.323 -7.055 5.460 1.00 0.00 N ATOM 922 CZ ARG A 60 -7.527 -7.346 5.939 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.649 -8.023 7.072 1.00 0.00 N ATOM 924 NH2 ARG A 60 -8.614 -6.958 5.283 1.00 0.00 N ATOM 0 H ARG A 60 -2.083 -3.808 3.857 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.364 -5.898 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.663 -5.334 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.992 -5.227 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.112 -7.532 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.048 -7.863 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.131 -8.492 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.955 -6.866 7.033 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.265 -6.532 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.816 -8.322 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.576 -8.244 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.524 -6.436 4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.539 -7.182 5.651 1.00 0.00 H new ATOM 938 N TYR A 61 -0.850 -7.580 4.077 1.00 0.00 N ATOM 939 CA TYR A 61 -0.388 -8.500 3.045 1.00 0.00 C ATOM 940 C TYR A 61 -0.364 -9.934 3.564 1.00 0.00 C ATOM 941 O TYR A 61 0.255 -10.225 4.588 1.00 0.00 O ATOM 942 CB TYR A 61 1.006 -8.098 2.560 1.00 0.00 C ATOM 943 CG TYR A 61 1.650 -9.121 1.652 1.00 0.00 C ATOM 944 CD1 TYR A 61 1.337 -9.173 0.299 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.572 -10.035 2.146 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.923 -10.106 -0.534 1.00 0.00 C ATOM 947 CE2 TYR A 61 3.164 -10.971 1.320 1.00 0.00 C ATOM 948 CZ TYR A 61 2.835 -11.003 -0.019 1.00 0.00 C ATOM 949 OH TYR A 61 3.422 -11.933 -0.846 1.00 0.00 O ATOM 0 H TYR A 61 -0.626 -7.868 5.030 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.085 -8.447 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.937 -7.147 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.650 -7.936 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.623 -8.472 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.831 -10.014 3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.668 -10.133 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.880 -11.673 1.720 1.00 0.00 H new ATOM 0 HH TYR A 61 4.041 -12.488 -0.327 1.00 0.00 H new ATOM 959 N SER A 62 -1.041 -10.827 2.850 1.00 0.00 N ATOM 960 CA SER A 62 -1.101 -12.231 3.239 1.00 0.00 C ATOM 961 C SER A 62 -1.567 -12.375 4.685 1.00 0.00 C ATOM 962 O SER A 62 -1.018 -13.166 5.451 1.00 0.00 O ATOM 963 CB SER A 62 0.269 -12.890 3.065 1.00 0.00 C ATOM 964 OG SER A 62 1.141 -12.540 4.127 1.00 0.00 O ATOM 0 H SER A 62 -1.556 -10.603 1.998 1.00 0.00 H new ATOM 0 HA SER A 62 -1.822 -12.731 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.153 -13.973 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.706 -12.583 2.115 1.00 0.00 H new ATOM 0 HG SER A 62 0.860 -11.684 4.513 1.00 0.00 H new ATOM 970 N GLY A 63 -2.585 -11.602 5.052 1.00 0.00 N ATOM 971 CA GLY A 63 -3.109 -11.658 6.404 1.00 0.00 C ATOM 972 C GLY A 63 -2.079 -11.258 7.441 1.00 0.00 C ATOM 973 O GLY A 63 -2.218 -11.578 8.622 1.00 0.00 O ATOM 0 H GLY A 63 -3.056 -10.938 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.974 -11.000 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.458 -12.669 6.614 1.00 0.00 H new ATOM 977 N LYS A 64 -1.039 -10.558 7.001 1.00 0.00 N ATOM 978 CA LYS A 64 0.021 -10.114 7.899 1.00 0.00 C ATOM 979 C LYS A 64 0.112 -8.591 7.922 1.00 0.00 C ATOM 980 O LYS A 64 -0.347 -7.919 6.998 1.00 0.00 O ATOM 981 CB LYS A 64 1.364 -10.710 7.470 1.00 0.00 C ATOM 982 CG LYS A 64 1.548 -12.158 7.888 1.00 0.00 C ATOM 983 CD LYS A 64 3.017 -12.538 7.951 1.00 0.00 C ATOM 984 CE LYS A 64 3.554 -12.920 6.580 1.00 0.00 C ATOM 985 NZ LYS A 64 3.204 -14.322 6.218 1.00 0.00 N ATOM 0 H LYS A 64 -0.907 -10.286 6.027 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.219 -10.461 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.454 -10.639 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.170 -10.112 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.088 -12.317 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.033 -12.810 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.593 -11.702 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.149 -13.372 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.151 -12.240 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.637 -12.802 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.588 -14.544 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.610 -14.973 6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.170 -14.429 6.204 1.00 0.00 H new ATOM 999 N ILE A 65 0.708 -8.055 8.981 1.00 0.00 N ATOM 1000 CA ILE A 65 0.862 -6.612 9.122 1.00 0.00 C ATOM 1001 C ILE A 65 2.285 -6.176 8.792 1.00 0.00 C ATOM 1002 O ILE A 65 3.151 -6.133 9.667 1.00 0.00 O ATOM 1003 CB ILE A 65 0.510 -6.145 10.547 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.932 -6.522 10.890 1.00 0.00 C ATOM 1005 CG2 ILE A 65 0.716 -4.643 10.678 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -1.956 -5.895 9.969 1.00 0.00 C ATOM 0 H ILE A 65 1.092 -8.598 9.754 1.00 0.00 H new ATOM 0 HA ILE A 65 0.171 -6.150 8.417 1.00 0.00 H new ATOM 0 HB ILE A 65 1.174 -6.646 11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.035 -7.606 10.850 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.144 -6.219 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.463 -4.328 11.690 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.758 -4.399 10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.074 -4.124 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.956 -6.206 10.271 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.881 -4.809 10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.770 -6.218 8.945 1.00 0.00 H new ATOM 1018 N LEU A 66 2.520 -5.852 7.526 1.00 0.00 N ATOM 1019 CA LEU A 66 3.839 -5.416 7.079 1.00 0.00 C ATOM 1020 C LEU A 66 4.300 -4.190 7.860 1.00 0.00 C ATOM 1021 O LEU A 66 3.496 -3.502 8.490 1.00 0.00 O ATOM 1022 CB LEU A 66 3.814 -5.102 5.583 1.00 0.00 C ATOM 1023 CG LEU A 66 3.355 -6.236 4.666 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.476 -5.826 3.207 1.00 0.00 C ATOM 1025 CD2 LEU A 66 4.161 -7.499 4.935 1.00 0.00 C ATOM 0 H LEU A 66 1.815 -5.883 6.790 1.00 0.00 H new ATOM 0 HA LEU A 66 4.544 -6.227 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.160 -4.245 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.816 -4.799 5.279 1.00 0.00 H new ATOM 0 HG LEU A 66 2.306 -6.446 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.145 -6.646 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.855 -4.950 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.515 -5.588 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.821 -8.296 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.217 -7.302 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.023 -7.805 5.972 1.00 0.00 H new ATOM 1037 N LYS A 67 5.601 -3.920 7.814 1.00 0.00 N ATOM 1038 CA LYS A 67 6.171 -2.775 8.513 1.00 0.00 C ATOM 1039 C LYS A 67 6.942 -1.877 7.551 1.00 0.00 C ATOM 1040 O LYS A 67 6.961 -2.118 6.344 1.00 0.00 O ATOM 1041 CB LYS A 67 7.094 -3.247 9.638 1.00 0.00 C ATOM 1042 CG LYS A 67 6.356 -3.864 10.814 1.00 0.00 C ATOM 1043 CD LYS A 67 7.311 -4.257 11.928 1.00 0.00 C ATOM 1044 CE LYS A 67 6.568 -4.540 13.225 1.00 0.00 C ATOM 1045 NZ LYS A 67 6.321 -3.296 14.005 1.00 0.00 N ATOM 0 H LYS A 67 6.281 -4.480 7.299 1.00 0.00 H new ATOM 0 HA LYS A 67 5.351 -2.198 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.797 -3.978 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.682 -2.401 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.622 -3.155 11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.806 -4.743 10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.875 -5.141 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.034 -3.457 12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.617 -5.023 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.146 -5.239 13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.813 -3.531 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.229 -2.848 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.748 -2.639 13.438 1.00 0.00 H new ATOM 1059 N ASN A 68 7.577 -0.843 8.093 1.00 0.00 N ATOM 1060 CA ASN A 68 8.350 0.089 7.281 1.00 0.00 C ATOM 1061 C ASN A 68 9.727 -0.482 6.959 1.00 0.00 C ATOM 1062 O ASN A 68 10.220 -0.350 5.840 1.00 0.00 O ATOM 1063 CB ASN A 68 8.498 1.428 8.007 1.00 0.00 C ATOM 1064 CG ASN A 68 8.808 1.255 9.481 1.00 0.00 C ATOM 1065 OD1 ASN A 68 7.923 0.949 10.281 1.00 0.00 O ATOM 1066 ND2 ASN A 68 10.069 1.452 9.848 1.00 0.00 N ATOM 0 H ASN A 68 7.571 -0.630 9.090 1.00 0.00 H new ATOM 0 HA ASN A 68 7.814 0.247 6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.293 2.007 7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.578 2.002 7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.337 1.351 10.827 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.770 1.704 9.151 1.00 0.00 H new ATOM 1073 N ASN A 69 10.344 -1.119 7.950 1.00 0.00 N ATOM 1074 CA ASN A 69 11.665 -1.712 7.772 1.00 0.00 C ATOM 1075 C ASN A 69 11.579 -2.997 6.955 1.00 0.00 C ATOM 1076 O ASN A 69 12.592 -3.512 6.483 1.00 0.00 O ATOM 1077 CB ASN A 69 12.304 -2.001 9.132 1.00 0.00 C ATOM 1078 CG ASN A 69 11.994 -0.926 10.157 1.00 0.00 C ATOM 1079 OD1 ASN A 69 10.924 -0.924 10.765 1.00 0.00 O ATOM 1080 ND2 ASN A 69 12.932 -0.007 10.351 1.00 0.00 N ATOM 0 H ASN A 69 9.951 -1.238 8.884 1.00 0.00 H new ATOM 0 HA ASN A 69 12.286 -0.999 7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.949 -2.963 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.384 -2.085 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.781 0.741 11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.804 -0.049 9.824 1.00 0.00 H new ATOM 1087 N GLU A 70 10.363 -3.509 6.792 1.00 0.00 N ATOM 1088 CA GLU A 70 10.145 -4.734 6.031 1.00 0.00 C ATOM 1089 C GLU A 70 10.234 -4.466 4.532 1.00 0.00 C ATOM 1090 O GLU A 70 9.901 -3.377 4.062 1.00 0.00 O ATOM 1091 CB GLU A 70 8.782 -5.338 6.373 1.00 0.00 C ATOM 1092 CG GLU A 70 8.787 -6.174 7.641 1.00 0.00 C ATOM 1093 CD GLU A 70 9.634 -7.425 7.511 1.00 0.00 C ATOM 1094 OE1 GLU A 70 10.876 -7.301 7.475 1.00 0.00 O ATOM 1095 OE2 GLU A 70 9.054 -8.530 7.446 1.00 0.00 O ATOM 0 H GLU A 70 9.514 -3.095 7.177 1.00 0.00 H new ATOM 0 HA GLU A 70 10.926 -5.444 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.055 -4.534 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.450 -5.958 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.161 -5.571 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.764 -6.456 7.890 1.00 0.00 H new ATOM 1102 N THR A 71 10.686 -5.467 3.783 1.00 0.00 N ATOM 1103 CA THR A 71 10.820 -5.341 2.337 1.00 0.00 C ATOM 1104 C THR A 71 10.062 -6.449 1.616 1.00 0.00 C ATOM 1105 O THR A 71 9.972 -7.575 2.106 1.00 0.00 O ATOM 1106 CB THR A 71 12.298 -5.381 1.905 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.111 -4.716 2.878 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.483 -4.722 0.546 1.00 0.00 C ATOM 0 H THR A 71 10.966 -6.375 4.154 1.00 0.00 H new ATOM 0 HA THR A 71 10.394 -4.376 2.063 1.00 0.00 H new ATOM 0 HB THR A 71 12.603 -6.425 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.049 -4.747 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.535 -4.762 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.886 -5.249 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.161 -3.682 0.599 1.00 0.00 H new ATOM 1116 N LEU A 72 9.517 -6.123 0.449 1.00 0.00 N ATOM 1117 CA LEU A 72 8.766 -7.092 -0.342 1.00 0.00 C ATOM 1118 C LEU A 72 9.577 -8.366 -0.557 1.00 0.00 C ATOM 1119 O LEU A 72 9.055 -9.474 -0.434 1.00 0.00 O ATOM 1120 CB LEU A 72 8.379 -6.487 -1.693 1.00 0.00 C ATOM 1121 CG LEU A 72 7.245 -5.461 -1.668 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.009 -6.048 -1.004 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.687 -4.194 -0.952 1.00 0.00 C ATOM 0 H LEU A 72 9.581 -5.195 0.030 1.00 0.00 H new ATOM 0 HA LEU A 72 7.860 -7.348 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.262 -6.013 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.094 -7.298 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 72 6.992 -5.203 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.213 -5.304 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.679 -6.926 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.248 -6.336 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.867 -3.476 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.968 -4.435 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.543 -3.762 -1.471 1.00 0.00 H new ATOM 1135 N VAL A 73 10.856 -8.200 -0.876 1.00 0.00 N ATOM 1136 CA VAL A 73 11.741 -9.336 -1.104 1.00 0.00 C ATOM 1137 C VAL A 73 12.011 -10.091 0.193 1.00 0.00 C ATOM 1138 O VAL A 73 12.176 -11.311 0.189 1.00 0.00 O ATOM 1139 CB VAL A 73 13.082 -8.890 -1.715 1.00 0.00 C ATOM 1140 CG1 VAL A 73 12.900 -8.491 -3.171 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.678 -7.744 -0.910 1.00 0.00 C ATOM 0 H VAL A 73 11.303 -7.289 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 73 11.233 -9.997 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 73 13.776 -9.730 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.859 -8.179 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.520 -9.342 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.191 -7.666 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.626 -7.441 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.989 -6.900 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.847 -8.070 0.116 1.00 0.00 H new ATOM 1151 N GLN A 74 12.056 -9.357 1.300 1.00 0.00 N ATOM 1152 CA GLN A 74 12.307 -9.958 2.605 1.00 0.00 C ATOM 1153 C GLN A 74 11.192 -10.928 2.981 1.00 0.00 C ATOM 1154 O GLN A 74 11.425 -11.920 3.673 1.00 0.00 O ATOM 1155 CB GLN A 74 12.436 -8.871 3.674 1.00 0.00 C ATOM 1156 CG GLN A 74 13.855 -8.353 3.846 1.00 0.00 C ATOM 1157 CD GLN A 74 14.832 -9.446 4.232 1.00 0.00 C ATOM 1158 OE1 GLN A 74 14.442 -10.481 4.773 1.00 0.00 O ATOM 1159 NE2 GLN A 74 16.111 -9.221 3.956 1.00 0.00 N ATOM 0 H GLN A 74 11.922 -8.346 1.320 1.00 0.00 H new ATOM 0 HA GLN A 74 13.243 -10.514 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.783 -8.038 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.084 -9.266 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.184 -7.889 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.864 -7.576 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.390 -8.349 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.815 -9.920 4.193 1.00 0.00 H new ATOM 1168 N HIS A 75 9.979 -10.635 2.521 1.00 0.00 N ATOM 1169 CA HIS A 75 8.827 -11.482 2.809 1.00 0.00 C ATOM 1170 C HIS A 75 8.735 -12.632 1.810 1.00 0.00 C ATOM 1171 O HIS A 75 8.284 -13.726 2.148 1.00 0.00 O ATOM 1172 CB HIS A 75 7.540 -10.658 2.776 1.00 0.00 C ATOM 1173 CG HIS A 75 7.212 -10.007 4.085 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.367 -10.573 5.016 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.622 -8.832 4.617 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.270 -9.774 6.063 1.00 0.00 C ATOM 1177 NE2 HIS A 75 7.022 -8.710 5.846 1.00 0.00 N ATOM 0 H HIS A 75 9.769 -9.818 1.948 1.00 0.00 H new ATOM 0 HA HIS A 75 8.955 -11.900 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.631 -9.888 2.009 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.712 -11.304 2.483 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.296 -8.122 4.160 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.677 -9.959 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.138 -7.925 6.487 1.00 0.00 H new ATOM 1186 N GLY A 76 9.164 -12.375 0.578 1.00 0.00 N ATOM 1187 CA GLY A 76 9.120 -13.398 -0.451 1.00 0.00 C ATOM 1188 C GLY A 76 8.419 -12.925 -1.708 1.00 0.00 C ATOM 1189 O GLY A 76 7.459 -13.547 -2.164 1.00 0.00 O ATOM 0 H GLY A 76 9.541 -11.477 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.136 -13.704 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.608 -14.278 -0.062 1.00 0.00 H new ATOM 1193 N VAL A 77 8.897 -11.820 -2.271 1.00 0.00 N ATOM 1194 CA VAL A 77 8.310 -11.263 -3.484 1.00 0.00 C ATOM 1195 C VAL A 77 9.363 -11.078 -4.570 1.00 0.00 C ATOM 1196 O VAL A 77 10.384 -10.425 -4.356 1.00 0.00 O ATOM 1197 CB VAL A 77 7.630 -9.909 -3.207 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.150 -9.277 -4.505 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.476 -10.082 -2.231 1.00 0.00 C ATOM 0 H VAL A 77 9.690 -11.292 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 77 7.560 -11.975 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 77 8.362 -9.241 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.672 -8.321 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.000 -9.116 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.433 -9.940 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.007 -9.115 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.741 -10.767 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.852 -10.488 -1.292 1.00 0.00 H new ATOM 1209 N LYS A 78 9.108 -11.658 -5.738 1.00 0.00 N ATOM 1210 CA LYS A 78 10.033 -11.556 -6.861 1.00 0.00 C ATOM 1211 C LYS A 78 9.639 -10.411 -7.789 1.00 0.00 C ATOM 1212 O LYS A 78 8.487 -9.979 -7.825 1.00 0.00 O ATOM 1213 CB LYS A 78 10.065 -12.872 -7.643 1.00 0.00 C ATOM 1214 CG LYS A 78 9.082 -12.915 -8.800 1.00 0.00 C ATOM 1215 CD LYS A 78 8.600 -14.331 -9.069 1.00 0.00 C ATOM 1216 CE LYS A 78 9.624 -15.126 -9.865 1.00 0.00 C ATOM 1217 NZ LYS A 78 10.605 -15.812 -8.978 1.00 0.00 N ATOM 0 H LYS A 78 8.268 -12.204 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 78 11.027 -11.352 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.072 -13.033 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.848 -13.695 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.228 -12.275 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.556 -12.514 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.402 -14.835 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.658 -14.298 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.111 -15.866 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.154 -14.458 -10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.131 -16.522 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.269 -15.113 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.100 -16.280 -8.199 1.00 0.00 H new ATOM 1231 N PRO A 79 10.617 -9.908 -8.557 1.00 0.00 N ATOM 1232 CA PRO A 79 10.395 -8.808 -9.500 1.00 0.00 C ATOM 1233 C PRO A 79 9.541 -9.228 -10.691 1.00 0.00 C ATOM 1234 O PRO A 79 9.521 -10.400 -11.069 1.00 0.00 O ATOM 1235 CB PRO A 79 11.809 -8.444 -9.959 1.00 0.00 C ATOM 1236 CG PRO A 79 12.603 -9.690 -9.767 1.00 0.00 C ATOM 1237 CD PRO A 79 12.013 -10.375 -8.565 1.00 0.00 C ATOM 0 HA PRO A 79 9.854 -7.981 -9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.817 -8.126 -11.002 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.216 -7.621 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.545 -10.329 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.657 -9.461 -9.608 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.073 -11.460 -8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.534 -10.098 -7.649 1.00 0.00 H new ATOM 1245 N GLN A 80 8.838 -8.266 -11.279 1.00 0.00 N ATOM 1246 CA GLN A 80 7.981 -8.538 -12.427 1.00 0.00 C ATOM 1247 C GLN A 80 6.845 -9.482 -12.048 1.00 0.00 C ATOM 1248 O GLN A 80 6.456 -10.346 -12.832 1.00 0.00 O ATOM 1249 CB GLN A 80 8.801 -9.140 -13.569 1.00 0.00 C ATOM 1250 CG GLN A 80 9.391 -8.101 -14.509 1.00 0.00 C ATOM 1251 CD GLN A 80 9.979 -8.715 -15.764 1.00 0.00 C ATOM 1252 OE1 GLN A 80 9.530 -9.766 -16.224 1.00 0.00 O ATOM 1253 NE2 GLN A 80 10.989 -8.062 -16.326 1.00 0.00 N ATOM 0 H GLN A 80 8.845 -7.291 -10.979 1.00 0.00 H new ATOM 0 HA GLN A 80 7.548 -7.594 -12.757 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.610 -9.738 -13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.168 -9.818 -14.142 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.616 -7.387 -14.787 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.166 -7.542 -13.985 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.329 -7.195 -15.911 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.425 -8.428 -17.173 1.00 0.00 H new ATOM 1262 N GLU A 81 6.318 -9.310 -10.839 1.00 0.00 N ATOM 1263 CA GLU A 81 5.227 -10.148 -10.357 1.00 0.00 C ATOM 1264 C GLU A 81 4.011 -9.302 -9.991 1.00 0.00 C ATOM 1265 O GLU A 81 4.114 -8.085 -9.833 1.00 0.00 O ATOM 1266 CB GLU A 81 5.679 -10.962 -9.142 1.00 0.00 C ATOM 1267 CG GLU A 81 5.456 -10.253 -7.817 1.00 0.00 C ATOM 1268 CD GLU A 81 5.763 -11.136 -6.624 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.623 -12.032 -6.753 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.142 -10.932 -5.559 1.00 0.00 O ATOM 0 H GLU A 81 6.629 -8.599 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 81 4.945 -10.830 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.143 -11.911 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.739 -11.196 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.083 -9.362 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.421 -9.917 -7.759 1.00 0.00 H new ATOM 1277 N ILE A 82 2.861 -9.954 -9.860 1.00 0.00 N ATOM 1278 CA ILE A 82 1.626 -9.262 -9.513 1.00 0.00 C ATOM 1279 C ILE A 82 1.141 -9.666 -8.125 1.00 0.00 C ATOM 1280 O ILE A 82 0.920 -10.846 -7.851 1.00 0.00 O ATOM 1281 CB ILE A 82 0.513 -9.550 -10.537 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.990 -9.211 -11.951 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.742 -8.761 -10.193 1.00 0.00 C ATOM 1284 CD1 ILE A 82 0.123 -9.802 -13.040 1.00 0.00 C ATOM 0 H ILE A 82 2.759 -10.961 -9.989 1.00 0.00 H new ATOM 0 HA ILE A 82 1.849 -8.195 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 82 0.272 -10.612 -10.499 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.016 -8.127 -12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.012 -9.570 -12.077 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.519 -8.976 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.091 -9.047 -9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.516 -7.695 -10.205 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.521 -9.521 -14.015 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.117 -10.888 -12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.894 -9.424 -12.941 1.00 0.00 H new ATOM 1296 N VAL A 83 0.975 -8.678 -7.251 1.00 0.00 N ATOM 1297 CA VAL A 83 0.513 -8.930 -5.891 1.00 0.00 C ATOM 1298 C VAL A 83 -0.764 -8.152 -5.592 1.00 0.00 C ATOM 1299 O VAL A 83 -1.235 -7.373 -6.420 1.00 0.00 O ATOM 1300 CB VAL A 83 1.587 -8.551 -4.854 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.920 -9.193 -5.207 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.723 -7.039 -4.757 1.00 0.00 C ATOM 0 H VAL A 83 1.154 -7.696 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 83 0.310 -9.998 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 83 1.276 -8.928 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.666 -8.914 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.809 -10.277 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.241 -8.848 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.486 -6.789 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.011 -6.637 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.770 -6.607 -4.453 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.317 -8.368 -4.403 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.540 -7.687 -3.995 1.00 0.00 C ATOM 1314 C GLN A 84 -2.523 -7.386 -2.500 1.00 0.00 C ATOM 1315 O GLN A 84 -2.541 -8.298 -1.673 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.763 -8.537 -4.342 1.00 0.00 C ATOM 1317 CG GLN A 84 -5.075 -7.771 -4.278 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.284 -8.669 -4.454 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.160 -9.893 -4.507 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.462 -8.064 -4.545 1.00 0.00 N ATOM 0 H GLN A 84 -0.938 -9.009 -3.706 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.597 -6.743 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.639 -8.945 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.813 -9.384 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.145 -7.257 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.081 -7.003 -5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.518 -7.047 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.311 -8.616 -4.664 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.486 -6.101 -2.160 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.467 -5.680 -0.764 1.00 0.00 C ATOM 1331 C VAL A 85 -3.641 -4.758 -0.452 1.00 0.00 C ATOM 1332 O VAL A 85 -4.262 -4.202 -1.356 1.00 0.00 O ATOM 1333 CB VAL A 85 -1.153 -4.957 -0.414 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.018 -5.927 -0.459 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.922 -3.786 -1.357 1.00 0.00 C ATOM 0 H VAL A 85 -2.469 -5.334 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.548 -6.583 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.232 -4.567 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.938 -5.399 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.146 -6.729 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.103 -6.349 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.011 -3.287 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.863 -4.151 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.748 -3.080 -1.270 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.937 -4.601 0.834 1.00 0.00 N ATOM 1346 CA GLU A 86 -5.036 -3.746 1.265 1.00 0.00 C ATOM 1347 C GLU A 86 -4.540 -2.657 2.212 1.00 0.00 C ATOM 1348 O GLU A 86 -3.774 -2.926 3.137 1.00 0.00 O ATOM 1349 CB GLU A 86 -6.120 -4.579 1.953 1.00 0.00 C ATOM 1350 CG GLU A 86 -7.039 -5.303 0.983 1.00 0.00 C ATOM 1351 CD GLU A 86 -6.338 -6.427 0.244 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.504 -7.116 0.868 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -6.623 -6.617 -0.957 1.00 0.00 O ATOM 0 H GLU A 86 -3.431 -5.054 1.595 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.459 -3.270 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.644 -5.312 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.718 -3.927 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.891 -5.708 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.434 -4.589 0.260 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.981 -1.427 1.971 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.583 -0.297 2.802 1.00 0.00 C ATOM 1362 C ILE A 87 -5.731 0.162 3.694 1.00 0.00 C ATOM 1363 O ILE A 87 -6.895 0.125 3.294 1.00 0.00 O ATOM 1364 CB ILE A 87 -4.106 0.891 1.945 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.733 0.593 1.339 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -4.057 2.161 2.781 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.185 1.724 0.499 1.00 0.00 C ATOM 0 H ILE A 87 -5.614 -1.187 1.208 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.757 -0.640 3.426 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.816 1.041 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.030 0.375 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.803 -0.304 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.718 2.991 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.052 2.380 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.366 2.023 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.210 1.443 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.868 1.928 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.082 2.618 1.115 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.396 0.597 4.904 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.400 1.065 5.853 1.00 0.00 C ATOM 1381 C PHE A 88 -5.756 1.895 6.960 1.00 0.00 C ATOM 1382 O PHE A 88 -4.533 2.011 7.032 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.150 -0.122 6.460 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.289 -0.997 7.325 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -5.851 -0.554 8.563 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.917 -2.262 6.900 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.057 -1.357 9.360 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.124 -3.070 7.694 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.695 -2.617 8.926 1.00 0.00 C ATOM 0 H PHE A 88 -4.438 0.635 5.251 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.107 1.696 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.986 0.251 7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.573 -0.724 5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.133 0.429 8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.250 -2.621 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.720 -0.999 10.322 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.841 -4.054 7.351 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.077 -3.247 9.549 1.00 0.00 H new ATOM 1399 N SER A 89 -6.589 2.470 7.821 1.00 0.00 N ATOM 1400 CA SER A 89 -6.103 3.293 8.922 1.00 0.00 C ATOM 1401 C SER A 89 -6.523 2.705 10.266 1.00 0.00 C ATOM 1402 O SER A 89 -7.698 2.412 10.489 1.00 0.00 O ATOM 1403 CB SER A 89 -6.631 4.723 8.790 1.00 0.00 C ATOM 1404 OG SER A 89 -5.814 5.636 9.501 1.00 0.00 O ATOM 0 H SER A 89 -7.604 2.381 7.777 1.00 0.00 H new ATOM 0 HA SER A 89 -5.014 3.310 8.877 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.666 5.005 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.652 4.773 9.168 1.00 0.00 H new ATOM 0 HG SER A 89 -6.374 6.191 10.084 1.00 0.00 H new ATOM 1410 N THR A 90 -5.553 2.535 11.160 1.00 0.00 N ATOM 1411 CA THR A 90 -5.820 1.982 12.481 1.00 0.00 C ATOM 1412 C THR A 90 -6.922 2.761 13.191 1.00 0.00 C ATOM 1413 O THR A 90 -7.787 2.176 13.842 1.00 0.00 O ATOM 1414 CB THR A 90 -4.555 1.990 13.359 1.00 0.00 C ATOM 1415 OG1 THR A 90 -4.057 3.326 13.490 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.477 1.097 12.763 1.00 0.00 C ATOM 0 H THR A 90 -4.575 2.773 10.992 1.00 0.00 H new ATOM 0 HA THR A 90 -6.144 0.952 12.333 1.00 0.00 H new ATOM 0 HB THR A 90 -4.821 1.604 14.343 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.737 3.643 12.620 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.593 1.119 13.400 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.849 0.075 12.693 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.216 1.457 11.768 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.885 4.083 13.060 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.881 4.942 13.689 1.00 0.00 C ATOM 1426 C ASN A 91 -8.513 5.881 12.667 1.00 0.00 C ATOM 1427 O ASN A 91 -8.080 7.019 12.482 1.00 0.00 O ATOM 1428 CB ASN A 91 -7.245 5.753 14.820 1.00 0.00 C ATOM 1429 CG ASN A 91 -8.223 6.049 15.941 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -8.907 5.152 16.434 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -8.292 7.311 16.348 1.00 0.00 N ATOM 0 H ASN A 91 -6.176 4.583 12.524 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.663 4.306 14.103 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.392 5.205 15.221 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.861 6.691 14.419 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.932 7.570 17.099 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.705 8.021 15.910 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.563 5.397 11.987 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.278 6.177 10.973 1.00 0.00 C ATOM 1440 C PRO A 92 -11.077 7.324 11.581 1.00 0.00 C ATOM 1441 O PRO A 92 -11.542 8.215 10.870 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.217 5.151 10.333 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.422 4.117 11.386 1.00 0.00 C ATOM 1444 CD PRO A 92 -10.133 4.050 12.156 1.00 0.00 C ATOM 0 HA PRO A 92 -9.596 6.650 10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.161 5.608 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.778 4.719 9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.253 4.384 12.039 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.663 3.151 10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.304 3.815 13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.469 3.281 11.762 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.232 7.297 12.900 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.975 8.336 13.604 1.00 0.00 C ATOM 1454 C ASP A 93 -11.175 9.634 13.657 1.00 0.00 C ATOM 1455 O ASP A 93 -11.744 10.725 13.710 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.318 7.876 15.022 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.379 6.794 15.038 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.462 7.016 14.457 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -13.127 5.724 15.632 1.00 0.00 O ATOM 0 H ASP A 93 -10.853 6.567 13.503 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.899 8.521 13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.416 7.504 15.508 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.665 8.730 15.604 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.852 9.509 13.644 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.973 10.672 13.692 1.00 0.00 C ATOM 1466 C LEU A 94 -8.405 10.982 12.311 1.00 0.00 C ATOM 1467 O LEU A 94 -8.490 12.114 11.833 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.833 10.433 14.683 1.00 0.00 C ATOM 1469 CG LEU A 94 -8.122 10.799 16.140 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -7.003 10.309 17.045 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -8.308 12.302 16.285 1.00 0.00 C ATOM 0 H LEU A 94 -9.365 8.614 13.601 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.561 11.528 14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.558 9.379 14.642 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.965 11.003 14.352 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.047 10.308 16.442 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.226 10.578 18.077 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.917 9.225 16.963 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.063 10.771 16.744 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.513 12.544 17.328 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.400 12.814 15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.145 12.626 15.666 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.828 9.969 11.673 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.246 10.134 10.346 1.00 0.00 C ATOM 1485 C TYR A 95 -7.838 9.128 9.363 1.00 0.00 C ATOM 1486 O TYR A 95 -7.231 8.108 9.037 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.727 9.968 10.409 1.00 0.00 C ATOM 1488 CG TYR A 95 -5.073 10.786 11.500 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.948 10.285 12.790 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.580 12.059 11.241 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.353 11.028 13.791 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.982 12.809 12.235 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.871 12.289 13.508 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.275 13.033 14.501 1.00 0.00 O ATOM 0 H TYR A 95 -7.751 9.026 12.053 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.481 11.139 9.996 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.491 8.915 10.565 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.299 10.252 9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.323 9.297 13.014 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.666 12.469 10.246 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.266 10.624 14.789 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.604 13.797 12.017 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.990 13.897 14.136 1.00 0.00 H new ATOM 1504 N PRO A 96 -9.054 9.422 8.878 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.756 8.558 7.925 1.00 0.00 C ATOM 1506 C PRO A 96 -9.099 8.560 6.548 1.00 0.00 C ATOM 1507 O PRO A 96 -8.400 9.506 6.185 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.155 9.175 7.850 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.959 10.604 8.223 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.837 10.621 9.224 1.00 0.00 C ATOM 0 HA PRO A 96 -9.752 7.515 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.576 9.081 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.844 8.678 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.711 11.205 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.869 11.024 8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.239 11.529 9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.210 10.576 10.247 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.328 7.495 5.787 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.759 7.375 4.450 1.00 0.00 C ATOM 1520 C VAL A 97 -9.718 7.914 3.394 1.00 0.00 C ATOM 1521 O VAL A 97 -10.936 7.884 3.574 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.416 5.911 4.115 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.912 5.794 2.685 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.390 5.367 5.097 1.00 0.00 C ATOM 0 H VAL A 97 -9.903 6.703 6.073 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.843 7.966 4.442 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.323 5.314 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.675 4.753 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.683 6.142 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.016 6.403 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.159 4.332 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.481 5.965 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.794 5.413 6.108 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.161 8.407 2.293 1.00 0.00 N ATOM 1535 CA ARG A 98 -9.966 8.955 1.208 1.00 0.00 C ATOM 1536 C ARG A 98 -9.476 8.444 -0.144 1.00 0.00 C ATOM 1537 O ARG A 98 -8.389 7.877 -0.247 1.00 0.00 O ATOM 1538 CB ARG A 98 -9.924 10.484 1.234 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.517 11.055 1.167 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.525 12.570 1.291 1.00 0.00 C ATOM 1541 NE ARG A 98 -8.449 13.005 2.684 1.00 0.00 N ATOM 1542 CZ ARG A 98 -8.734 14.239 3.084 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -9.112 15.155 2.203 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -8.642 14.559 4.369 1.00 0.00 N ATOM 0 H ARG A 98 -8.155 8.438 2.129 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.995 8.625 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.504 10.869 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.407 10.837 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.911 10.627 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.051 10.768 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.683 12.984 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.433 12.966 0.836 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.162 12.324 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.185 14.913 1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.330 16.102 2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.352 13.857 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.861 15.507 4.675 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.287 8.649 -1.177 1.00 0.00 N ATOM 1559 CA ARG A 99 -9.937 8.208 -2.522 1.00 0.00 C ATOM 1560 C ARG A 99 -9.056 9.240 -3.220 1.00 0.00 C ATOM 1561 O ARG A 99 -9.046 10.414 -2.850 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.202 7.961 -3.346 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.977 9.228 -3.667 1.00 0.00 C ATOM 1564 CD ARG A 99 -13.462 8.947 -3.830 1.00 0.00 C ATOM 1565 NE ARG A 99 -14.272 10.145 -3.627 1.00 0.00 N ATOM 1566 CZ ARG A 99 -14.638 10.590 -2.430 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -14.268 9.940 -1.336 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -15.376 11.688 -2.326 1.00 0.00 N ATOM 0 H ARG A 99 -11.190 9.117 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.379 7.276 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.927 7.467 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.852 7.276 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.829 9.958 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.587 9.672 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.648 8.549 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.766 8.179 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.573 10.669 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.701 9.096 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.550 10.284 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.663 12.191 -3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.656 12.029 -1.406 1.00 0.00 H new ATOM 1582 N ILE A 100 -8.317 8.793 -4.230 1.00 0.00 N ATOM 1583 CA ILE A 100 -7.433 9.677 -4.979 1.00 0.00 C ATOM 1584 C ILE A 100 -7.735 9.618 -6.473 1.00 0.00 C ATOM 1585 O ILE A 100 -7.157 8.812 -7.202 1.00 0.00 O ATOM 1586 CB ILE A 100 -5.953 9.319 -4.752 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.616 9.375 -3.260 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -5.053 10.259 -5.539 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -4.254 8.806 -2.927 1.00 0.00 C ATOM 0 H ILE A 100 -8.313 7.824 -4.548 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.614 10.688 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.782 8.303 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.660 10.411 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.376 8.827 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.010 9.993 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.279 10.174 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.224 11.285 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.082 8.878 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.212 7.760 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.485 9.369 -3.456 1.00 0.00 H new ATOM 1601 N ASP A 101 -8.642 10.479 -6.922 1.00 0.00 N ATOM 1602 CA ASP A 101 -9.019 10.527 -8.330 1.00 0.00 C ATOM 1603 C ASP A 101 -7.814 10.256 -9.225 1.00 0.00 C ATOM 1604 O ASP A 101 -6.706 10.715 -8.947 1.00 0.00 O ATOM 1605 CB ASP A 101 -9.627 11.889 -8.670 1.00 0.00 C ATOM 1606 CG ASP A 101 -9.705 12.131 -10.165 1.00 0.00 C ATOM 1607 OD1 ASP A 101 -10.531 11.472 -10.830 1.00 0.00 O ATOM 1608 OD2 ASP A 101 -8.940 12.980 -10.669 1.00 0.00 O ATOM 0 H ASP A 101 -9.130 11.153 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.763 9.750 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.627 11.954 -8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.030 12.676 -8.208 1.00 0.00 H new ATOM 1613 N GLY A 102 -8.038 9.507 -10.300 1.00 0.00 N ATOM 1614 CA GLY A 102 -6.961 9.187 -11.218 1.00 0.00 C ATOM 1615 C GLY A 102 -7.448 8.448 -12.449 1.00 0.00 C ATOM 1616 O GLY A 102 -8.451 8.829 -13.054 1.00 0.00 O ATOM 0 H GLY A 102 -8.946 9.116 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.463 10.107 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.218 8.578 -10.703 1.00 0.00 H new ATOM 1620 N LEU A 103 -6.738 7.389 -12.821 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.103 6.595 -13.989 1.00 0.00 C ATOM 1622 C LEU A 103 -6.877 5.109 -13.730 1.00 0.00 C ATOM 1623 O LEU A 103 -5.744 4.665 -13.542 1.00 0.00 O ATOM 1624 CB LEU A 103 -6.293 7.041 -15.207 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.553 6.274 -16.504 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -7.858 6.729 -17.140 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -5.394 6.455 -17.473 1.00 0.00 C ATOM 0 H LEU A 103 -5.906 7.060 -12.331 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.163 6.753 -14.188 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.496 8.097 -15.386 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.234 6.956 -14.965 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.638 5.214 -16.266 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.027 6.173 -18.062 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.682 6.547 -16.450 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.801 7.794 -17.364 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.597 5.902 -18.390 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.276 7.513 -17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.477 6.079 -17.018 1.00 0.00 H new ATOM 1639 N THR A 104 -7.964 4.342 -13.723 1.00 0.00 N ATOM 1640 CA THR A 104 -7.884 2.906 -13.488 1.00 0.00 C ATOM 1641 C THR A 104 -7.602 2.152 -14.782 1.00 0.00 C ATOM 1642 O THR A 104 -8.027 2.569 -15.860 1.00 0.00 O ATOM 1643 CB THR A 104 -9.186 2.366 -12.866 1.00 0.00 C ATOM 1644 OG1 THR A 104 -10.307 2.743 -13.673 1.00 0.00 O ATOM 1645 CG2 THR A 104 -9.371 2.896 -11.452 1.00 0.00 C ATOM 0 H THR A 104 -8.910 4.692 -13.877 1.00 0.00 H new ATOM 0 HA THR A 104 -7.062 2.745 -12.791 1.00 0.00 H new ATOM 0 HB THR A 104 -9.119 1.279 -12.823 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.131 2.395 -13.272 1.00 0.00 H new ATOM 0 HG21 THR A 104 -10.297 2.501 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.530 2.582 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.419 3.985 -11.475 1.00 0.00 H new ATOM 1653 N ASP A 105 -6.883 1.041 -14.669 1.00 0.00 N ATOM 1654 CA ASP A 105 -6.545 0.227 -15.831 1.00 0.00 C ATOM 1655 C ASP A 105 -6.646 -1.259 -15.502 1.00 0.00 C ATOM 1656 O ASP A 105 -5.792 -1.812 -14.808 1.00 0.00 O ATOM 1657 CB ASP A 105 -5.134 0.559 -16.319 1.00 0.00 C ATOM 1658 CG ASP A 105 -4.154 0.745 -15.177 1.00 0.00 C ATOM 1659 OD1 ASP A 105 -4.244 1.777 -14.480 1.00 0.00 O ATOM 1660 OD2 ASP A 105 -3.299 -0.143 -14.979 1.00 0.00 O ATOM 0 H ASP A 105 -6.523 0.683 -13.784 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.258 0.454 -16.623 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.781 -0.240 -16.970 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -5.165 1.469 -16.919 1.00 0.00 H new ATOM 1665 N VAL A 106 -7.697 -1.900 -16.003 1.00 0.00 N ATOM 1666 CA VAL A 106 -7.911 -3.322 -15.763 1.00 0.00 C ATOM 1667 C VAL A 106 -7.853 -4.115 -17.064 1.00 0.00 C ATOM 1668 O VAL A 106 -8.443 -3.720 -18.070 1.00 0.00 O ATOM 1669 CB VAL A 106 -9.267 -3.578 -15.079 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -9.523 -5.072 -14.943 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -9.315 -2.895 -13.720 1.00 0.00 C ATOM 0 H VAL A 106 -8.414 -1.457 -16.578 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.110 -3.655 -15.103 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.055 -3.154 -15.702 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.485 -5.234 -14.458 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.534 -5.531 -15.932 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.733 -5.523 -14.342 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.280 -3.086 -13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.519 -3.288 -13.087 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.180 -1.821 -13.848 1.00 0.00 H new ATOM 1681 N SER A 107 -7.138 -5.235 -17.037 1.00 0.00 N ATOM 1682 CA SER A 107 -6.999 -6.082 -18.216 1.00 0.00 C ATOM 1683 C SER A 107 -7.240 -7.547 -17.863 1.00 0.00 C ATOM 1684 O SER A 107 -6.548 -8.114 -17.018 1.00 0.00 O ATOM 1685 CB SER A 107 -5.608 -5.915 -18.829 1.00 0.00 C ATOM 1686 OG SER A 107 -5.547 -4.760 -19.649 1.00 0.00 O ATOM 0 H SER A 107 -6.646 -5.577 -16.212 1.00 0.00 H new ATOM 0 HA SER A 107 -7.748 -5.774 -18.945 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.864 -5.841 -18.036 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.359 -6.797 -19.419 1.00 0.00 H new ATOM 0 HG SER A 107 -4.647 -4.675 -20.028 1.00 0.00 H new ATOM 1692 N GLN A 108 -8.225 -8.153 -18.517 1.00 0.00 N ATOM 1693 CA GLN A 108 -8.558 -9.551 -18.273 1.00 0.00 C ATOM 1694 C GLN A 108 -8.705 -10.313 -19.586 1.00 0.00 C ATOM 1695 O GLN A 108 -8.357 -11.491 -19.673 1.00 0.00 O ATOM 1696 CB GLN A 108 -9.850 -9.656 -17.461 1.00 0.00 C ATOM 1697 CG GLN A 108 -10.176 -11.072 -17.016 1.00 0.00 C ATOM 1698 CD GLN A 108 -11.390 -11.134 -16.110 1.00 0.00 C ATOM 1699 OE1 GLN A 108 -12.288 -10.296 -16.198 1.00 0.00 O ATOM 1700 NE2 GLN A 108 -11.424 -12.130 -15.232 1.00 0.00 N ATOM 0 H GLN A 108 -8.807 -7.698 -19.220 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.743 -9.998 -17.704 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.769 -9.017 -16.581 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.677 -9.273 -18.059 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -10.351 -11.694 -17.894 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -9.316 -11.492 -16.494 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.658 -12.802 -15.194 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -12.216 -12.223 -14.596 1.00 0.00 H new ATOM 1709 N ILE A 109 -9.221 -9.634 -20.604 1.00 0.00 N ATOM 1710 CA ILE A 109 -9.413 -10.247 -21.912 1.00 0.00 C ATOM 1711 C ILE A 109 -8.102 -10.307 -22.689 1.00 0.00 C ATOM 1712 O ILE A 109 -7.602 -9.286 -23.162 1.00 0.00 O ATOM 1713 CB ILE A 109 -10.457 -9.480 -22.746 1.00 0.00 C ATOM 1714 CG1 ILE A 109 -10.670 -10.170 -24.095 1.00 0.00 C ATOM 1715 CG2 ILE A 109 -10.018 -8.037 -22.946 1.00 0.00 C ATOM 1716 CD1 ILE A 109 -12.057 -9.967 -24.665 1.00 0.00 C ATOM 0 H ILE A 109 -9.514 -8.659 -20.548 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.775 -11.260 -21.735 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.404 -9.480 -22.206 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.935 -9.794 -24.806 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.486 -11.238 -23.981 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.766 -7.508 -23.537 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.912 -7.551 -21.976 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.062 -8.017 -23.469 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.136 -10.484 -25.622 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.797 -10.369 -23.973 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.238 -8.902 -24.812 1.00 0.00 H new ATOM 1728 N ILE A 110 -7.552 -11.509 -22.819 1.00 0.00 N ATOM 1729 CA ILE A 110 -6.301 -11.703 -23.541 1.00 0.00 C ATOM 1730 C ILE A 110 -5.977 -13.185 -23.692 1.00 0.00 C ATOM 1731 O ILE A 110 -6.522 -14.028 -22.979 1.00 0.00 O ATOM 1732 CB ILE A 110 -5.127 -11.002 -22.831 1.00 0.00 C ATOM 1733 CG1 ILE A 110 -3.862 -11.085 -23.688 1.00 0.00 C ATOM 1734 CG2 ILE A 110 -4.889 -11.623 -21.463 1.00 0.00 C ATOM 1735 CD1 ILE A 110 -2.811 -10.064 -23.314 1.00 0.00 C ATOM 0 H ILE A 110 -7.953 -12.364 -22.433 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.435 -11.261 -24.528 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.380 -9.951 -22.692 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.436 -12.084 -23.596 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.133 -10.949 -24.735 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.057 -11.117 -20.974 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.787 -11.517 -20.854 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.653 -12.681 -21.580 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.943 -10.181 -23.962 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.220 -9.061 -23.433 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.512 -10.213 -22.277 1.00 0.00 H new ATOM 1747 N THR A 111 -5.084 -13.497 -24.626 1.00 0.00 N ATOM 1748 CA THR A 111 -4.686 -14.878 -24.872 1.00 0.00 C ATOM 1749 C THR A 111 -3.182 -14.985 -25.097 1.00 0.00 C ATOM 1750 O THR A 111 -2.519 -13.996 -25.412 1.00 0.00 O ATOM 1751 CB THR A 111 -5.419 -15.465 -26.092 1.00 0.00 C ATOM 1752 OG1 THR A 111 -5.101 -16.855 -26.233 1.00 0.00 O ATOM 1753 CG2 THR A 111 -5.037 -14.722 -27.363 1.00 0.00 C ATOM 0 H THR A 111 -4.623 -12.812 -25.225 1.00 0.00 H new ATOM 0 HA THR A 111 -4.959 -15.448 -23.984 1.00 0.00 H new ATOM 0 HB THR A 111 -6.491 -15.352 -25.932 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.573 -17.221 -27.010 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.568 -15.155 -28.211 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.307 -13.670 -27.265 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.963 -14.807 -27.525 1.00 0.00 H new ATOM 1761 N VAL A 112 -2.648 -16.191 -24.934 1.00 0.00 N ATOM 1762 CA VAL A 112 -1.222 -16.427 -25.122 1.00 0.00 C ATOM 1763 C VAL A 112 -0.978 -17.605 -26.059 1.00 0.00 C ATOM 1764 O VAL A 112 -1.697 -18.603 -26.018 1.00 0.00 O ATOM 1765 CB VAL A 112 -0.517 -16.699 -23.780 1.00 0.00 C ATOM 1766 CG1 VAL A 112 -1.109 -17.927 -23.104 1.00 0.00 C ATOM 1767 CG2 VAL A 112 0.981 -16.866 -23.989 1.00 0.00 C ATOM 0 H VAL A 112 -3.182 -17.020 -24.672 1.00 0.00 H new ATOM 0 HA VAL A 112 -0.807 -15.522 -25.566 1.00 0.00 H new ATOM 0 HB VAL A 112 -0.676 -15.842 -23.126 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.598 -18.103 -22.157 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.171 -17.764 -22.918 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.983 -18.795 -23.751 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.463 -17.057 -23.030 1.00 0.00 H new ATOM 0 HG22 VAL A 112 1.163 -17.705 -24.661 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.391 -15.955 -24.426 1.00 0.00 H new ATOM 1777 N SER A 113 0.041 -17.481 -26.903 1.00 0.00 N ATOM 1778 CA SER A 113 0.378 -18.534 -27.854 1.00 0.00 C ATOM 1779 C SER A 113 0.308 -19.907 -27.191 1.00 0.00 C ATOM 1780 O SER A 113 0.686 -20.069 -26.032 1.00 0.00 O ATOM 1781 CB SER A 113 1.778 -18.304 -28.428 1.00 0.00 C ATOM 1782 OG SER A 113 1.994 -19.101 -29.579 1.00 0.00 O ATOM 0 H SER A 113 0.648 -16.662 -26.948 1.00 0.00 H new ATOM 0 HA SER A 113 -0.349 -18.503 -28.665 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.902 -17.251 -28.682 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.528 -18.540 -27.673 1.00 0.00 H new ATOM 0 HG SER A 113 2.895 -18.935 -29.928 1.00 0.00 H new ATOM 1788 N GLY A 114 -0.179 -20.894 -27.938 1.00 0.00 N ATOM 1789 CA GLY A 114 -0.291 -22.240 -27.408 1.00 0.00 C ATOM 1790 C GLY A 114 0.356 -23.273 -28.309 1.00 0.00 C ATOM 1791 O GLY A 114 1.154 -22.949 -29.188 1.00 0.00 O ATOM 0 H GLY A 114 -0.498 -20.785 -28.901 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.174 -22.279 -26.423 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.344 -22.488 -27.274 1.00 0.00 H new ATOM 1795 N PRO A 115 0.013 -24.551 -28.091 1.00 0.00 N ATOM 1796 CA PRO A 115 0.555 -25.662 -28.880 1.00 0.00 C ATOM 1797 C PRO A 115 0.036 -25.663 -30.313 1.00 0.00 C ATOM 1798 O PRO A 115 -0.670 -24.744 -30.729 1.00 0.00 O ATOM 1799 CB PRO A 115 0.062 -26.902 -28.131 1.00 0.00 C ATOM 1800 CG PRO A 115 -1.167 -26.452 -27.420 1.00 0.00 C ATOM 1801 CD PRO A 115 -0.933 -25.011 -27.060 1.00 0.00 C ATOM 0 HA PRO A 115 1.640 -25.606 -28.972 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -0.155 -27.719 -28.819 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.814 -27.266 -27.431 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -2.046 -26.558 -28.056 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -1.344 -27.053 -26.528 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.859 -24.436 -27.079 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.516 -24.910 -26.058 1.00 0.00 H new ATOM 1809 N SER A 116 0.389 -26.701 -31.065 1.00 0.00 N ATOM 1810 CA SER A 116 -0.039 -26.820 -32.454 1.00 0.00 C ATOM 1811 C SER A 116 0.285 -28.205 -33.005 1.00 0.00 C ATOM 1812 O SER A 116 0.903 -29.026 -32.328 1.00 0.00 O ATOM 1813 CB SER A 116 0.635 -25.747 -33.311 1.00 0.00 C ATOM 1814 OG SER A 116 -0.127 -24.552 -33.325 1.00 0.00 O ATOM 0 H SER A 116 0.970 -27.472 -30.735 1.00 0.00 H new ATOM 0 HA SER A 116 -1.119 -26.677 -32.489 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.633 -25.541 -32.923 1.00 0.00 H new ATOM 0 HB3 SER A 116 0.758 -26.115 -34.329 1.00 0.00 H new ATOM 0 HG SER A 116 -0.393 -24.323 -32.410 1.00 0.00 H new ATOM 1820 N SER A 117 -0.138 -28.457 -34.240 1.00 0.00 N ATOM 1821 CA SER A 117 0.103 -29.744 -34.883 1.00 0.00 C ATOM 1822 C SER A 117 1.441 -29.742 -35.617 1.00 0.00 C ATOM 1823 O SER A 117 2.007 -28.687 -35.896 1.00 0.00 O ATOM 1824 CB SER A 117 -1.028 -30.069 -35.860 1.00 0.00 C ATOM 1825 OG SER A 117 -1.171 -31.469 -36.027 1.00 0.00 O ATOM 0 H SER A 117 -0.649 -27.787 -34.815 1.00 0.00 H new ATOM 0 HA SER A 117 0.135 -30.510 -34.108 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.963 -29.646 -35.493 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.825 -29.603 -36.824 1.00 0.00 H new ATOM 0 HG SER A 117 -1.901 -31.651 -36.655 1.00 0.00 H new ATOM 1831 N GLY A 118 1.939 -30.935 -35.928 1.00 0.00 N ATOM 1832 CA GLY A 118 3.206 -31.050 -36.627 1.00 0.00 C ATOM 1833 C GLY A 118 3.419 -29.933 -37.628 1.00 0.00 C ATOM 1834 O GLY A 118 4.208 -30.070 -38.563 1.00 0.00 O ATOM 0 H GLY A 118 1.488 -31.823 -35.709 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.020 -31.044 -35.902 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.247 -32.009 -37.143 1.00 0.00 H new TER 1838 GLY A 118