USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 29 MET CE :methyl 163:sc= -3.6! (180deg=-4.83!) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.884 K(o=-4.5,f=-5) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0856 (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 15 LYS NZ :NH3+ -146:sc= 1.22 (180deg=-0.376) USER MOD Single : A 17 TYR OH : rot -30:sc= -0.223 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 30 SER OG : rot -50:sc= -0.87 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.271 USER MOD Single : A 66 CYS SG : rot -150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.335 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -21:sc= 1.1 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -6.61! X(o=-6.6!,f=-6.5) USER MOD Single : A 92 SER OG : rot 16:sc= -1.81! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 16:sc= 0.713 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.940 31.817 -17.769 1.00 0.00 N ATOM 2 CA GLY A 1 17.914 30.377 -17.950 1.00 0.00 C ATOM 3 C GLY A 1 16.876 29.701 -17.077 1.00 0.00 C ATOM 4 O GLY A 1 16.322 30.320 -16.168 1.00 0.00 O ATOM 0 H1 GLY A 1 17.599 32.282 -18.634 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.326 32.078 -16.971 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.914 32.125 -17.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.708 30.149 -18.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.898 29.968 -17.722 1.00 0.00 H new ATOM 8 N SER A 2 16.612 28.428 -17.352 1.00 0.00 N ATOM 9 CA SER A 2 15.629 27.669 -16.588 1.00 0.00 C ATOM 10 C SER A 2 16.174 27.307 -15.210 1.00 0.00 C ATOM 11 O SER A 2 16.829 26.278 -15.040 1.00 0.00 O ATOM 12 CB SER A 2 15.235 26.399 -17.343 1.00 0.00 C ATOM 13 OG SER A 2 14.847 26.696 -18.674 1.00 0.00 O ATOM 0 H SER A 2 17.065 27.900 -18.098 1.00 0.00 H new ATOM 0 HA SER A 2 14.746 28.294 -16.457 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.074 25.703 -17.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.415 25.903 -16.824 1.00 0.00 H new ATOM 0 HG SER A 2 14.602 25.867 -19.136 1.00 0.00 H new ATOM 19 N SER A 3 15.900 28.160 -14.229 1.00 0.00 N ATOM 20 CA SER A 3 16.365 27.933 -12.866 1.00 0.00 C ATOM 21 C SER A 3 15.910 26.569 -12.356 1.00 0.00 C ATOM 22 O SER A 3 15.034 25.935 -12.943 1.00 0.00 O ATOM 23 CB SER A 3 15.850 29.034 -11.938 1.00 0.00 C ATOM 24 OG SER A 3 16.690 30.175 -11.983 1.00 0.00 O ATOM 0 H SER A 3 15.358 29.015 -14.353 1.00 0.00 H new ATOM 0 HA SER A 3 17.455 27.954 -12.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.837 29.313 -12.227 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.797 28.658 -10.916 1.00 0.00 H new ATOM 0 HG SER A 3 16.338 30.865 -11.382 1.00 0.00 H new ATOM 30 N GLY A 4 16.514 26.122 -11.259 1.00 0.00 N ATOM 31 CA GLY A 4 16.159 24.836 -10.688 1.00 0.00 C ATOM 32 C GLY A 4 17.187 24.340 -9.690 1.00 0.00 C ATOM 33 O GLY A 4 18.355 24.726 -9.749 1.00 0.00 O ATOM 0 H GLY A 4 17.243 26.628 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.189 24.916 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.052 24.104 -11.488 1.00 0.00 H new ATOM 37 N SER A 5 16.753 23.485 -8.771 1.00 0.00 N ATOM 38 CA SER A 5 17.643 22.940 -7.752 1.00 0.00 C ATOM 39 C SER A 5 17.831 21.438 -7.943 1.00 0.00 C ATOM 40 O SER A 5 16.861 20.684 -8.020 1.00 0.00 O ATOM 41 CB SER A 5 17.088 23.223 -6.355 1.00 0.00 C ATOM 42 OG SER A 5 17.083 24.613 -6.080 1.00 0.00 O ATOM 0 H SER A 5 15.790 23.154 -8.710 1.00 0.00 H new ATOM 0 HA SER A 5 18.613 23.426 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.074 22.830 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.690 22.704 -5.609 1.00 0.00 H new ATOM 0 HG SER A 5 16.722 24.768 -5.182 1.00 0.00 H new ATOM 48 N SER A 6 19.088 21.010 -8.018 1.00 0.00 N ATOM 49 CA SER A 6 19.405 19.599 -8.203 1.00 0.00 C ATOM 50 C SER A 6 19.941 18.989 -6.911 1.00 0.00 C ATOM 51 O SER A 6 21.085 19.229 -6.527 1.00 0.00 O ATOM 52 CB SER A 6 20.430 19.428 -9.325 1.00 0.00 C ATOM 53 OG SER A 6 19.916 19.894 -10.561 1.00 0.00 O ATOM 0 H SER A 6 19.903 21.620 -7.953 1.00 0.00 H new ATOM 0 HA SER A 6 18.487 19.078 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.340 19.974 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.704 18.377 -9.415 1.00 0.00 H new ATOM 0 HG SER A 6 20.591 19.775 -11.262 1.00 0.00 H new ATOM 59 N GLY A 7 19.105 18.198 -6.246 1.00 0.00 N ATOM 60 CA GLY A 7 19.512 17.565 -5.005 1.00 0.00 C ATOM 61 C GLY A 7 18.385 16.788 -4.354 1.00 0.00 C ATOM 62 O GLY A 7 18.449 15.563 -4.244 1.00 0.00 O ATOM 0 H GLY A 7 18.153 17.984 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.347 16.893 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.871 18.327 -4.313 1.00 0.00 H new ATOM 66 N ILE A 8 17.351 17.501 -3.919 1.00 0.00 N ATOM 67 CA ILE A 8 16.206 16.870 -3.274 1.00 0.00 C ATOM 68 C ILE A 8 14.897 17.495 -3.746 1.00 0.00 C ATOM 69 O ILE A 8 14.804 18.709 -3.920 1.00 0.00 O ATOM 70 CB ILE A 8 16.292 16.981 -1.741 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.706 16.647 -1.262 1.00 0.00 C ATOM 72 CG2 ILE A 8 15.274 16.059 -1.086 1.00 0.00 C ATOM 73 CD1 ILE A 8 18.075 15.190 -1.435 1.00 0.00 C ATOM 0 H ILE A 8 17.283 18.515 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 8 16.225 15.817 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 8 16.064 18.007 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.421 17.262 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.797 16.914 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.347 16.148 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 8 14.270 16.339 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 8 15.475 15.029 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 8 19.091 15.027 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 8 17.383 14.569 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.017 14.923 -2.490 1.00 0.00 H new ATOM 85 N GLY A 9 13.886 16.655 -3.949 1.00 0.00 N ATOM 86 CA GLY A 9 12.595 17.144 -4.396 1.00 0.00 C ATOM 87 C GLY A 9 11.527 17.021 -3.327 1.00 0.00 C ATOM 88 O GLY A 9 11.819 17.113 -2.135 1.00 0.00 O ATOM 0 H GLY A 9 13.938 15.646 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.689 18.188 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.285 16.587 -5.280 1.00 0.00 H new ATOM 92 N ASP A 10 10.286 16.815 -3.754 1.00 0.00 N ATOM 93 CA ASP A 10 9.170 16.680 -2.825 1.00 0.00 C ATOM 94 C ASP A 10 8.209 15.589 -3.286 1.00 0.00 C ATOM 95 O ASP A 10 7.596 15.695 -4.348 1.00 0.00 O ATOM 96 CB ASP A 10 8.426 18.010 -2.693 1.00 0.00 C ATOM 97 CG ASP A 10 7.472 18.024 -1.515 1.00 0.00 C ATOM 98 OD1 ASP A 10 7.770 17.358 -0.501 1.00 0.00 O ATOM 99 OD2 ASP A 10 6.427 18.701 -1.606 1.00 0.00 O ATOM 0 H ASP A 10 10.027 16.738 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 10 9.571 16.398 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.149 18.818 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.870 18.205 -3.610 1.00 0.00 H new ATOM 104 N ALA A 11 8.083 14.540 -2.479 1.00 0.00 N ATOM 105 CA ALA A 11 7.195 13.430 -2.803 1.00 0.00 C ATOM 106 C ALA A 11 5.803 13.929 -3.172 1.00 0.00 C ATOM 107 O ALA A 11 5.212 13.482 -4.155 1.00 0.00 O ATOM 108 CB ALA A 11 7.118 12.458 -1.635 1.00 0.00 C ATOM 0 H ALA A 11 8.584 14.436 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 11 7.606 12.909 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.452 11.634 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.113 12.067 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.734 12.975 -0.756 1.00 0.00 H new ATOM 114 N ARG A 12 5.283 14.858 -2.377 1.00 0.00 N ATOM 115 CA ARG A 12 3.958 15.417 -2.618 1.00 0.00 C ATOM 116 C ARG A 12 3.794 15.811 -4.083 1.00 0.00 C ATOM 117 O ARG A 12 2.676 15.887 -4.594 1.00 0.00 O ATOM 118 CB ARG A 12 3.723 16.635 -1.722 1.00 0.00 C ATOM 119 CG ARG A 12 3.596 16.290 -0.247 1.00 0.00 C ATOM 120 CD ARG A 12 3.327 17.528 0.593 1.00 0.00 C ATOM 121 NE ARG A 12 2.883 17.188 1.942 1.00 0.00 N ATOM 122 CZ ARG A 12 1.654 16.775 2.229 1.00 0.00 C ATOM 123 NH1 ARG A 12 0.751 16.650 1.265 1.00 0.00 N ATOM 124 NH2 ARG A 12 1.325 16.484 3.481 1.00 0.00 N ATOM 0 H ARG A 12 5.759 15.240 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 12 3.219 14.652 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.547 17.336 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.816 17.145 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.788 15.572 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.512 15.809 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.233 18.131 0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.568 18.139 0.105 1.00 0.00 H new ATOM 0 HE ARG A 12 3.554 17.272 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.000 16.871 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.192 16.333 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.017 16.577 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.380 16.167 3.700 1.00 0.00 H new ATOM 138 N ARG A 13 4.914 16.062 -4.753 1.00 0.00 N ATOM 139 CA ARG A 13 4.894 16.450 -6.158 1.00 0.00 C ATOM 140 C ARG A 13 4.978 15.223 -7.062 1.00 0.00 C ATOM 141 O ARG A 13 4.409 15.204 -8.153 1.00 0.00 O ATOM 142 CB ARG A 13 6.052 17.402 -6.463 1.00 0.00 C ATOM 143 CG ARG A 13 6.011 18.689 -5.655 1.00 0.00 C ATOM 144 CD ARG A 13 4.974 19.658 -6.203 1.00 0.00 C ATOM 145 NE ARG A 13 4.561 20.640 -5.204 1.00 0.00 N ATOM 146 CZ ARG A 13 5.321 21.657 -4.816 1.00 0.00 C ATOM 147 NH1 ARG A 13 6.527 21.826 -5.340 1.00 0.00 N ATOM 148 NH2 ARG A 13 4.875 22.509 -3.902 1.00 0.00 N ATOM 0 H ARG A 13 5.847 16.004 -4.345 1.00 0.00 H new ATOM 0 HA ARG A 13 3.952 16.961 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.994 16.890 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.038 17.649 -7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.782 18.459 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.994 19.160 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.383 20.174 -7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.102 19.101 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 13 3.638 20.539 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.873 21.174 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.108 22.608 -5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.947 22.383 -3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.460 23.290 -3.605 1.00 0.00 H new ATOM 162 N ALA A 14 5.693 14.203 -6.600 1.00 0.00 N ATOM 163 CA ALA A 14 5.851 12.972 -7.366 1.00 0.00 C ATOM 164 C ALA A 14 4.500 12.326 -7.650 1.00 0.00 C ATOM 165 O ALA A 14 3.554 12.471 -6.874 1.00 0.00 O ATOM 166 CB ALA A 14 6.757 12.001 -6.624 1.00 0.00 C ATOM 0 H ALA A 14 6.172 14.204 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 14 6.312 13.224 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.866 11.087 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.736 12.457 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.319 11.763 -5.655 1.00 0.00 H new ATOM 172 N LYS A 15 4.414 11.612 -8.767 1.00 0.00 N ATOM 173 CA LYS A 15 3.178 10.941 -9.155 1.00 0.00 C ATOM 174 C LYS A 15 3.425 9.461 -9.428 1.00 0.00 C ATOM 175 O LYS A 15 4.521 9.067 -9.826 1.00 0.00 O ATOM 176 CB LYS A 15 2.581 11.607 -10.396 1.00 0.00 C ATOM 177 CG LYS A 15 1.651 12.765 -10.078 1.00 0.00 C ATOM 178 CD LYS A 15 1.593 13.764 -11.221 1.00 0.00 C ATOM 179 CE LYS A 15 2.754 14.745 -11.164 1.00 0.00 C ATOM 180 NZ LYS A 15 2.951 15.447 -12.462 1.00 0.00 N ATOM 0 H LYS A 15 5.186 11.483 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 15 2.472 11.027 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.391 11.967 -11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.034 10.860 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.650 12.384 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.990 13.267 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.612 13.232 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.651 14.311 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.572 15.478 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.667 14.212 -10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.965 15.626 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.587 14.855 -13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.438 16.352 -12.449 1.00 0.00 H new ATOM 194 N VAL A 16 2.398 8.645 -9.212 1.00 0.00 N ATOM 195 CA VAL A 16 2.503 7.208 -9.437 1.00 0.00 C ATOM 196 C VAL A 16 1.283 6.679 -10.184 1.00 0.00 C ATOM 197 O VAL A 16 0.145 7.005 -9.845 1.00 0.00 O ATOM 198 CB VAL A 16 2.651 6.441 -8.109 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.041 6.646 -7.527 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.580 6.877 -7.121 1.00 0.00 C ATOM 0 H VAL A 16 1.484 8.954 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 16 3.395 7.046 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 16 2.519 5.377 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.127 6.097 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.788 6.281 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.205 7.708 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.699 6.325 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.678 7.945 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.594 6.674 -7.540 1.00 0.00 H new ATOM 210 N TYR A 17 1.529 5.860 -11.201 1.00 0.00 N ATOM 211 CA TYR A 17 0.451 5.286 -11.997 1.00 0.00 C ATOM 212 C TYR A 17 0.827 3.896 -12.501 1.00 0.00 C ATOM 213 O TYR A 17 1.926 3.684 -13.011 1.00 0.00 O ATOM 214 CB TYR A 17 0.122 6.198 -13.181 1.00 0.00 C ATOM 215 CG TYR A 17 1.337 6.858 -13.793 1.00 0.00 C ATOM 216 CD1 TYR A 17 1.863 8.026 -13.254 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.959 6.314 -14.910 1.00 0.00 C ATOM 218 CE1 TYR A 17 2.972 8.633 -13.810 1.00 0.00 C ATOM 219 CE2 TYR A 17 3.069 6.914 -15.472 1.00 0.00 C ATOM 220 CZ TYR A 17 3.572 8.073 -14.919 1.00 0.00 C ATOM 221 OH TYR A 17 4.678 8.673 -15.476 1.00 0.00 O ATOM 0 H TYR A 17 2.465 5.579 -11.493 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.429 5.196 -11.360 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.389 5.615 -13.947 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.573 6.970 -12.852 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.396 8.467 -12.385 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.568 5.407 -15.346 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.367 9.541 -13.379 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.541 6.478 -16.340 1.00 0.00 H new ATOM 0 HH TYR A 17 4.634 9.641 -15.329 1.00 0.00 H new ATOM 231 N GLY A 18 -0.097 2.951 -12.355 1.00 0.00 N ATOM 232 CA GLY A 18 0.154 1.593 -12.800 1.00 0.00 C ATOM 233 C GLY A 18 -0.968 0.644 -12.430 1.00 0.00 C ATOM 234 O GLY A 18 -2.124 1.054 -12.314 1.00 0.00 O ATOM 0 H GLY A 18 -1.015 3.102 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.288 1.588 -13.882 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.086 1.237 -12.361 1.00 0.00 H new ATOM 238 N ARG A 19 -0.630 -0.627 -12.244 1.00 0.00 N ATOM 239 CA ARG A 19 -1.619 -1.637 -11.888 1.00 0.00 C ATOM 240 C ARG A 19 -1.351 -2.192 -10.492 1.00 0.00 C ATOM 241 O ARG A 19 -2.256 -2.279 -9.664 1.00 0.00 O ATOM 242 CB ARG A 19 -1.609 -2.775 -12.911 1.00 0.00 C ATOM 243 CG ARG A 19 -2.654 -3.845 -12.642 1.00 0.00 C ATOM 244 CD ARG A 19 -2.205 -5.204 -13.156 1.00 0.00 C ATOM 245 NE ARG A 19 -3.337 -6.059 -13.504 1.00 0.00 N ATOM 246 CZ ARG A 19 -4.213 -5.766 -14.459 1.00 0.00 C ATOM 247 NH1 ARG A 19 -4.087 -4.646 -15.157 1.00 0.00 N ATOM 248 NH2 ARG A 19 -5.216 -6.595 -14.717 1.00 0.00 N ATOM 0 H ARG A 19 0.322 -0.982 -12.334 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.601 -1.164 -11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.774 -2.360 -13.905 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.622 -3.237 -12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.847 -3.906 -11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.593 -3.566 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.570 -5.069 -14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.599 -5.697 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.462 -6.928 -12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.316 -4.007 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.761 -4.423 -15.890 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.315 -7.458 -14.182 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.888 -6.370 -15.450 1.00 0.00 H new ATOM 262 N GLY A 20 -0.101 -2.567 -10.240 1.00 0.00 N ATOM 263 CA GLY A 20 0.264 -3.109 -8.944 1.00 0.00 C ATOM 264 C GLY A 20 -0.060 -2.160 -7.807 1.00 0.00 C ATOM 265 O GLY A 20 -0.002 -2.540 -6.636 1.00 0.00 O ATOM 0 H GLY A 20 0.666 -2.505 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.260 -4.052 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.331 -3.332 -8.934 1.00 0.00 H new ATOM 269 N LEU A 21 -0.400 -0.923 -8.149 1.00 0.00 N ATOM 270 CA LEU A 21 -0.732 0.084 -7.148 1.00 0.00 C ATOM 271 C LEU A 21 -2.232 0.103 -6.871 1.00 0.00 C ATOM 272 O LEU A 21 -2.666 0.432 -5.767 1.00 0.00 O ATOM 273 CB LEU A 21 -0.271 1.466 -7.613 1.00 0.00 C ATOM 274 CG LEU A 21 1.218 1.605 -7.933 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.528 3.006 -8.435 1.00 0.00 C ATOM 276 CD2 LEU A 21 2.059 1.276 -6.709 1.00 0.00 C ATOM 0 H LEU A 21 -0.453 -0.593 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.214 -0.174 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.840 1.736 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.525 2.191 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 21 1.468 0.896 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.592 3.086 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.952 3.204 -9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.262 3.734 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.116 1.380 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.806 1.960 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.859 0.252 -6.395 1.00 0.00 H new ATOM 288 N SER A 22 -3.019 -0.255 -7.881 1.00 0.00 N ATOM 289 CA SER A 22 -4.471 -0.279 -7.747 1.00 0.00 C ATOM 290 C SER A 22 -4.967 -1.691 -7.451 1.00 0.00 C ATOM 291 O SER A 22 -5.666 -1.920 -6.465 1.00 0.00 O ATOM 292 CB SER A 22 -5.131 0.249 -9.023 1.00 0.00 C ATOM 293 OG SER A 22 -5.142 1.666 -9.043 1.00 0.00 O ATOM 0 H SER A 22 -2.676 -0.532 -8.801 1.00 0.00 H new ATOM 0 HA SER A 22 -4.744 0.365 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.595 -0.126 -9.895 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.152 -0.127 -9.090 1.00 0.00 H new ATOM 0 HG SER A 22 -5.567 1.978 -9.869 1.00 0.00 H new ATOM 299 N GLU A 23 -4.599 -2.633 -8.314 1.00 0.00 N ATOM 300 CA GLU A 23 -5.007 -4.023 -8.145 1.00 0.00 C ATOM 301 C GLU A 23 -3.841 -4.969 -8.419 1.00 0.00 C ATOM 302 O GLU A 23 -2.725 -4.533 -8.697 1.00 0.00 O ATOM 303 CB GLU A 23 -6.174 -4.351 -9.078 1.00 0.00 C ATOM 304 CG GLU A 23 -5.824 -4.246 -10.553 1.00 0.00 C ATOM 305 CD GLU A 23 -6.729 -5.089 -11.429 1.00 0.00 C ATOM 306 OE1 GLU A 23 -6.430 -6.288 -11.611 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.737 -4.551 -11.934 1.00 0.00 O ATOM 0 H GLU A 23 -4.020 -2.459 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.327 -4.159 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.523 -5.362 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.002 -3.676 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.891 -3.204 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.790 -4.557 -10.700 1.00 0.00 H new ATOM 314 N GLY A 24 -4.110 -6.269 -8.338 1.00 0.00 N ATOM 315 CA GLY A 24 -3.074 -7.257 -8.579 1.00 0.00 C ATOM 316 C GLY A 24 -3.589 -8.678 -8.460 1.00 0.00 C ATOM 317 O GLY A 24 -4.757 -8.897 -8.136 1.00 0.00 O ATOM 0 H GLY A 24 -5.026 -6.655 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.658 -7.107 -9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.261 -7.108 -7.868 1.00 0.00 H new ATOM 321 N ARG A 25 -2.718 -9.645 -8.724 1.00 0.00 N ATOM 322 CA ARG A 25 -3.092 -11.052 -8.648 1.00 0.00 C ATOM 323 C ARG A 25 -1.914 -11.904 -8.184 1.00 0.00 C ATOM 324 O ARG A 25 -0.754 -11.527 -8.359 1.00 0.00 O ATOM 325 CB ARG A 25 -3.587 -11.545 -10.009 1.00 0.00 C ATOM 326 CG ARG A 25 -5.088 -11.399 -10.201 1.00 0.00 C ATOM 327 CD ARG A 25 -5.637 -12.468 -11.132 1.00 0.00 C ATOM 328 NE ARG A 25 -6.862 -12.035 -11.800 1.00 0.00 N ATOM 329 CZ ARG A 25 -6.881 -11.191 -12.826 1.00 0.00 C ATOM 330 NH1 ARG A 25 -5.748 -10.692 -13.299 1.00 0.00 N ATOM 331 NH2 ARG A 25 -8.036 -10.845 -13.380 1.00 0.00 N ATOM 0 H ARG A 25 -1.748 -9.480 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.897 -11.149 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.073 -10.992 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.314 -12.594 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.588 -11.465 -9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.310 -10.412 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.885 -12.718 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.836 -13.377 -10.564 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.751 -12.401 -11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.858 -10.956 -12.875 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.766 -10.044 -14.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.910 -11.227 -13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.050 -10.197 -14.168 1.00 0.00 H new ATOM 345 N THR A 26 -2.218 -13.055 -7.592 1.00 0.00 N ATOM 346 CA THR A 26 -1.186 -13.959 -7.102 1.00 0.00 C ATOM 347 C THR A 26 -0.390 -14.561 -8.255 1.00 0.00 C ATOM 348 O THR A 26 -0.924 -14.783 -9.342 1.00 0.00 O ATOM 349 CB THR A 26 -1.790 -15.098 -6.260 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.707 -15.860 -7.054 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.508 -14.546 -5.038 1.00 0.00 C ATOM 0 H THR A 26 -3.172 -13.383 -7.440 1.00 0.00 H new ATOM 0 HA THR A 26 -0.520 -13.367 -6.474 1.00 0.00 H new ATOM 0 HB THR A 26 -0.977 -15.742 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.086 -16.584 -6.512 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.926 -15.369 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.802 -13.991 -4.421 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.311 -13.882 -5.357 1.00 0.00 H new ATOM 359 N PHE A 27 0.890 -14.824 -8.010 1.00 0.00 N ATOM 360 CA PHE A 27 1.760 -15.400 -9.028 1.00 0.00 C ATOM 361 C PHE A 27 1.734 -14.563 -10.304 1.00 0.00 C ATOM 362 O PHE A 27 1.943 -15.078 -11.401 1.00 0.00 O ATOM 363 CB PHE A 27 1.334 -16.837 -9.340 1.00 0.00 C ATOM 364 CG PHE A 27 1.774 -17.830 -8.303 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.518 -17.610 -6.960 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.445 -18.985 -8.673 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.922 -18.522 -6.003 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.851 -19.901 -7.721 1.00 0.00 C ATOM 369 CZ PHE A 27 2.590 -19.669 -6.384 1.00 0.00 C ATOM 0 H PHE A 27 1.347 -14.647 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 27 2.778 -15.406 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.248 -16.874 -9.430 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.744 -17.127 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.996 -16.715 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.653 -19.171 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.716 -18.338 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.372 -20.798 -8.022 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.908 -20.383 -5.639 1.00 0.00 H new ATOM 379 N GLU A 28 1.475 -13.268 -10.149 1.00 0.00 N ATOM 380 CA GLU A 28 1.421 -12.359 -11.288 1.00 0.00 C ATOM 381 C GLU A 28 2.368 -11.179 -11.089 1.00 0.00 C ATOM 382 O GLU A 28 2.185 -10.370 -10.180 1.00 0.00 O ATOM 383 CB GLU A 28 -0.007 -11.851 -11.495 1.00 0.00 C ATOM 384 CG GLU A 28 -0.112 -10.730 -12.515 1.00 0.00 C ATOM 385 CD GLU A 28 -0.293 -11.244 -13.931 1.00 0.00 C ATOM 386 OE1 GLU A 28 -1.301 -11.934 -14.188 1.00 0.00 O ATOM 387 OE2 GLU A 28 0.575 -10.955 -14.781 1.00 0.00 O ATOM 0 H GLU A 28 1.300 -12.825 -9.247 1.00 0.00 H new ATOM 0 HA GLU A 28 1.736 -12.909 -12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.636 -12.682 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.401 -11.501 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.952 -10.086 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.787 -10.115 -12.468 1.00 0.00 H new ATOM 394 N MET A 29 3.381 -11.091 -11.945 1.00 0.00 N ATOM 395 CA MET A 29 4.357 -10.010 -11.863 1.00 0.00 C ATOM 396 C MET A 29 3.698 -8.661 -12.129 1.00 0.00 C ATOM 397 O MET A 29 3.340 -8.347 -13.264 1.00 0.00 O ATOM 398 CB MET A 29 5.491 -10.242 -12.863 1.00 0.00 C ATOM 399 CG MET A 29 6.801 -9.582 -12.462 1.00 0.00 C ATOM 400 SD MET A 29 7.841 -10.658 -11.457 1.00 0.00 S ATOM 401 CE MET A 29 8.396 -9.513 -10.197 1.00 0.00 C ATOM 0 H MET A 29 3.547 -11.754 -12.702 1.00 0.00 H new ATOM 0 HA MET A 29 4.768 -10.001 -10.853 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.653 -11.314 -12.974 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.187 -9.863 -13.839 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.346 -9.291 -13.360 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.588 -8.668 -11.908 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.790 -10.070 -9.347 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.178 -8.874 -10.606 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.558 -8.897 -9.870 1.00 0.00 H new ATOM 411 N SER A 30 3.540 -7.866 -11.075 1.00 0.00 N ATOM 412 CA SER A 30 2.919 -6.552 -11.194 1.00 0.00 C ATOM 413 C SER A 30 3.978 -5.455 -11.249 1.00 0.00 C ATOM 414 O SER A 30 5.021 -5.550 -10.603 1.00 0.00 O ATOM 415 CB SER A 30 1.971 -6.304 -10.019 1.00 0.00 C ATOM 416 OG SER A 30 0.899 -5.459 -10.399 1.00 0.00 O ATOM 0 H SER A 30 3.834 -8.109 -10.129 1.00 0.00 H new ATOM 0 HA SER A 30 2.348 -6.529 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.579 -7.254 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.520 -5.851 -9.194 1.00 0.00 H new ATOM 0 HG SER A 30 1.253 -4.663 -10.848 1.00 0.00 H new ATOM 422 N ASP A 31 3.701 -4.413 -12.026 1.00 0.00 N ATOM 423 CA ASP A 31 4.627 -3.296 -12.166 1.00 0.00 C ATOM 424 C ASP A 31 3.873 -1.974 -12.268 1.00 0.00 C ATOM 425 O ASP A 31 2.687 -1.948 -12.596 1.00 0.00 O ATOM 426 CB ASP A 31 5.511 -3.490 -13.399 1.00 0.00 C ATOM 427 CG ASP A 31 4.746 -4.067 -14.574 1.00 0.00 C ATOM 428 OD1 ASP A 31 3.667 -3.531 -14.901 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.228 -5.055 -15.168 1.00 0.00 O ATOM 0 H ASP A 31 2.842 -4.319 -12.568 1.00 0.00 H new ATOM 0 HA ASP A 31 5.258 -3.266 -11.278 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.944 -2.532 -13.686 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.340 -4.152 -13.148 1.00 0.00 H new ATOM 434 N PHE A 32 4.569 -0.878 -11.984 1.00 0.00 N ATOM 435 CA PHE A 32 3.965 0.448 -12.042 1.00 0.00 C ATOM 436 C PHE A 32 5.028 1.521 -12.256 1.00 0.00 C ATOM 437 O PHE A 32 6.200 1.322 -11.932 1.00 0.00 O ATOM 438 CB PHE A 32 3.187 0.733 -10.756 1.00 0.00 C ATOM 439 CG PHE A 32 4.024 0.628 -9.513 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.937 1.619 -9.190 1.00 0.00 C ATOM 441 CD2 PHE A 32 3.897 -0.463 -8.667 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.709 1.523 -8.048 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.666 -0.563 -7.523 1.00 0.00 C ATOM 444 CZ PHE A 32 5.572 0.432 -7.212 1.00 0.00 C ATOM 0 H PHE A 32 5.552 -0.882 -11.711 1.00 0.00 H new ATOM 0 HA PHE A 32 3.277 0.470 -12.887 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.760 1.734 -10.813 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.353 0.035 -10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.046 2.476 -9.838 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.189 -1.243 -8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.419 2.301 -7.809 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.559 -1.419 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.172 0.357 -6.317 1.00 0.00 H new ATOM 454 N ILE A 33 4.611 2.658 -12.803 1.00 0.00 N ATOM 455 CA ILE A 33 5.527 3.763 -13.060 1.00 0.00 C ATOM 456 C ILE A 33 5.549 4.741 -11.890 1.00 0.00 C ATOM 457 O ILE A 33 4.561 4.889 -11.171 1.00 0.00 O ATOM 458 CB ILE A 33 5.145 4.523 -14.343 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.658 3.777 -15.576 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.701 5.939 -14.305 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.137 3.465 -15.521 1.00 0.00 C ATOM 0 H ILE A 33 3.645 2.838 -13.077 1.00 0.00 H new ATOM 0 HA ILE A 33 6.519 3.329 -13.187 1.00 0.00 H new ATOM 0 HB ILE A 33 4.058 4.581 -14.403 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.102 2.846 -15.685 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.454 4.375 -16.464 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.423 6.464 -15.219 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.292 6.468 -13.444 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.787 5.901 -14.225 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.431 2.936 -16.427 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.702 4.394 -15.444 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.345 2.840 -14.652 1.00 0.00 H new ATOM 473 N VAL A 34 6.684 5.408 -11.706 1.00 0.00 N ATOM 474 CA VAL A 34 6.835 6.375 -10.625 1.00 0.00 C ATOM 475 C VAL A 34 7.369 7.704 -11.148 1.00 0.00 C ATOM 476 O VAL A 34 8.575 7.872 -11.331 1.00 0.00 O ATOM 477 CB VAL A 34 7.782 5.849 -9.530 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.110 6.951 -8.534 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.166 4.650 -8.826 1.00 0.00 C ATOM 0 H VAL A 34 7.512 5.297 -12.291 1.00 0.00 H new ATOM 0 HA VAL A 34 5.845 6.528 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 34 8.712 5.528 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.780 6.561 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.594 7.778 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.191 7.304 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.848 4.291 -8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.222 4.943 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.986 3.856 -9.550 1.00 0.00 H new ATOM 489 N ASP A 35 6.464 8.647 -11.385 1.00 0.00 N ATOM 490 CA ASP A 35 6.843 9.963 -11.885 1.00 0.00 C ATOM 491 C ASP A 35 7.569 10.765 -10.809 1.00 0.00 C ATOM 492 O ASP A 35 6.989 11.110 -9.779 1.00 0.00 O ATOM 493 CB ASP A 35 5.607 10.727 -12.362 1.00 0.00 C ATOM 494 CG ASP A 35 5.897 12.193 -12.621 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.373 12.877 -11.692 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.647 12.655 -13.754 1.00 0.00 O ATOM 0 H ASP A 35 5.462 8.524 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 35 7.521 9.823 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.229 10.267 -13.275 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.819 10.642 -11.613 1.00 0.00 H new ATOM 501 N THR A 36 8.842 11.058 -11.054 1.00 0.00 N ATOM 502 CA THR A 36 9.648 11.817 -10.106 1.00 0.00 C ATOM 503 C THR A 36 10.366 12.972 -10.795 1.00 0.00 C ATOM 504 O THR A 36 11.371 13.478 -10.295 1.00 0.00 O ATOM 505 CB THR A 36 10.691 10.921 -9.412 1.00 0.00 C ATOM 506 OG1 THR A 36 11.548 10.319 -10.389 1.00 0.00 O ATOM 507 CG2 THR A 36 10.011 9.837 -8.590 1.00 0.00 C ATOM 0 H THR A 36 9.337 10.781 -11.902 1.00 0.00 H new ATOM 0 HA THR A 36 8.963 12.214 -9.356 1.00 0.00 H new ATOM 0 HB THR A 36 11.285 11.544 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.209 9.752 -9.939 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.767 9.217 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.382 10.298 -7.828 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.395 9.218 -9.243 1.00 0.00 H new ATOM 515 N ARG A 37 9.843 13.386 -11.945 1.00 0.00 N ATOM 516 CA ARG A 37 10.435 14.482 -12.703 1.00 0.00 C ATOM 517 C ARG A 37 10.002 15.831 -12.136 1.00 0.00 C ATOM 518 O ARG A 37 10.822 16.732 -11.957 1.00 0.00 O ATOM 519 CB ARG A 37 10.036 14.385 -14.177 1.00 0.00 C ATOM 520 CG ARG A 37 10.149 12.980 -14.747 1.00 0.00 C ATOM 521 CD ARG A 37 9.483 12.877 -16.110 1.00 0.00 C ATOM 522 NE ARG A 37 8.027 12.930 -16.014 1.00 0.00 N ATOM 523 CZ ARG A 37 7.230 13.153 -17.053 1.00 0.00 C ATOM 524 NH1 ARG A 37 7.745 13.342 -18.260 1.00 0.00 N ATOM 525 NH2 ARG A 37 5.914 13.187 -16.886 1.00 0.00 N ATOM 0 H ARG A 37 9.011 12.979 -12.372 1.00 0.00 H new ATOM 0 HA ARG A 37 11.519 14.403 -12.621 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.009 14.733 -14.290 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.666 15.056 -14.760 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.200 12.704 -14.833 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.688 12.270 -14.061 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.834 13.689 -16.747 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.781 11.944 -16.589 1.00 0.00 H new ATOM 0 HE ARG A 37 7.599 12.788 -15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.756 13.316 -18.393 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.130 13.513 -19.056 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.514 13.042 -15.959 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.303 13.358 -17.684 1.00 0.00 H new ATOM 539 N ASP A 38 8.710 15.962 -11.856 1.00 0.00 N ATOM 540 CA ASP A 38 8.168 17.200 -11.309 1.00 0.00 C ATOM 541 C ASP A 38 8.588 17.381 -9.853 1.00 0.00 C ATOM 542 O ASP A 38 8.605 18.497 -9.335 1.00 0.00 O ATOM 543 CB ASP A 38 6.643 17.206 -11.417 1.00 0.00 C ATOM 544 CG ASP A 38 6.035 15.853 -11.107 1.00 0.00 C ATOM 545 OD1 ASP A 38 6.053 15.452 -9.924 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.542 15.194 -12.046 1.00 0.00 O ATOM 0 H ASP A 38 8.019 15.226 -11.999 1.00 0.00 H new ATOM 0 HA ASP A 38 8.569 18.031 -11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.236 17.949 -10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.354 17.509 -12.424 1.00 0.00 H new ATOM 551 N ALA A 39 8.925 16.274 -9.198 1.00 0.00 N ATOM 552 CA ALA A 39 9.345 16.310 -7.803 1.00 0.00 C ATOM 553 C ALA A 39 10.817 16.689 -7.683 1.00 0.00 C ATOM 554 O ALA A 39 11.161 17.694 -7.062 1.00 0.00 O ATOM 555 CB ALA A 39 9.088 14.965 -7.139 1.00 0.00 C ATOM 0 H ALA A 39 8.915 15.342 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 39 8.758 17.073 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.407 15.007 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.024 14.734 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.650 14.189 -7.659 1.00 0.00 H new ATOM 561 N GLY A 40 11.684 15.876 -8.281 1.00 0.00 N ATOM 562 CA GLY A 40 13.109 16.143 -8.227 1.00 0.00 C ATOM 563 C GLY A 40 13.931 14.878 -8.081 1.00 0.00 C ATOM 564 O GLY A 40 13.808 13.953 -8.885 1.00 0.00 O ATOM 0 H GLY A 40 11.424 15.038 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.412 16.667 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.319 16.808 -7.389 1.00 0.00 H new ATOM 568 N TYR A 41 14.772 14.836 -7.054 1.00 0.00 N ATOM 569 CA TYR A 41 15.620 13.676 -6.808 1.00 0.00 C ATOM 570 C TYR A 41 15.580 13.274 -5.337 1.00 0.00 C ATOM 571 O TYR A 41 14.845 13.859 -4.541 1.00 0.00 O ATOM 572 CB TYR A 41 17.061 13.973 -7.228 1.00 0.00 C ATOM 573 CG TYR A 41 17.850 12.739 -7.600 1.00 0.00 C ATOM 574 CD1 TYR A 41 17.548 12.017 -8.748 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.897 12.293 -6.803 1.00 0.00 C ATOM 576 CE1 TYR A 41 18.266 10.888 -9.092 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.621 11.165 -7.139 1.00 0.00 C ATOM 578 CZ TYR A 41 19.302 10.467 -8.285 1.00 0.00 C ATOM 579 OH TYR A 41 20.020 9.342 -8.623 1.00 0.00 O ATOM 0 H TYR A 41 14.885 15.592 -6.378 1.00 0.00 H new ATOM 0 HA TYR A 41 15.239 12.846 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.049 14.656 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.570 14.487 -6.412 1.00 0.00 H new ATOM 0 HD1 TYR A 41 16.738 12.344 -9.383 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.149 12.837 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.017 10.338 -9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.432 10.832 -6.508 1.00 0.00 H new ATOM 0 HH TYR A 41 20.715 9.183 -7.951 1.00 0.00 H new ATOM 589 N GLY A 42 16.378 12.271 -4.982 1.00 0.00 N ATOM 590 CA GLY A 42 16.419 11.808 -3.607 1.00 0.00 C ATOM 591 C GLY A 42 16.396 10.295 -3.504 1.00 0.00 C ATOM 592 O GLY A 42 16.141 9.603 -4.489 1.00 0.00 O ATOM 0 H GLY A 42 16.996 11.771 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.320 12.188 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.569 12.219 -3.063 1.00 0.00 H new ATOM 596 N GLY A 43 16.665 9.781 -2.308 1.00 0.00 N ATOM 597 CA GLY A 43 16.671 8.344 -2.103 1.00 0.00 C ATOM 598 C GLY A 43 15.272 7.769 -1.994 1.00 0.00 C ATOM 599 O GLY A 43 14.521 8.114 -1.082 1.00 0.00 O ATOM 0 H GLY A 43 16.879 10.333 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.195 7.864 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.228 8.112 -1.195 1.00 0.00 H new ATOM 603 N ILE A 44 14.922 6.890 -2.928 1.00 0.00 N ATOM 604 CA ILE A 44 13.604 6.267 -2.932 1.00 0.00 C ATOM 605 C ILE A 44 13.576 5.033 -2.036 1.00 0.00 C ATOM 606 O ILE A 44 14.413 4.140 -2.167 1.00 0.00 O ATOM 607 CB ILE A 44 13.178 5.863 -4.356 1.00 0.00 C ATOM 608 CG1 ILE A 44 13.129 7.093 -5.265 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.826 5.165 -4.326 1.00 0.00 C ATOM 610 CD1 ILE A 44 13.054 6.753 -6.738 1.00 0.00 C ATOM 0 H ILE A 44 15.532 6.594 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 44 12.903 7.008 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 44 13.915 5.167 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.264 7.700 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.014 7.703 -5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.538 4.886 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.892 4.270 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.078 5.839 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 44 13.022 7.672 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.931 6.172 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.154 6.169 -6.931 1.00 0.00 H new ATOM 622 N SER A 45 12.608 4.991 -1.127 1.00 0.00 N ATOM 623 CA SER A 45 12.471 3.867 -0.208 1.00 0.00 C ATOM 624 C SER A 45 11.223 3.051 -0.528 1.00 0.00 C ATOM 625 O SER A 45 10.098 3.536 -0.395 1.00 0.00 O ATOM 626 CB SER A 45 12.410 4.368 1.237 1.00 0.00 C ATOM 627 OG SER A 45 13.703 4.683 1.723 1.00 0.00 O ATOM 0 H SER A 45 11.907 5.722 -1.007 1.00 0.00 H new ATOM 0 HA SER A 45 13.343 3.224 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.772 5.250 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.956 3.606 1.870 1.00 0.00 H new ATOM 0 HG SER A 45 13.636 5.002 2.647 1.00 0.00 H new ATOM 633 N LEU A 46 11.429 1.809 -0.952 1.00 0.00 N ATOM 634 CA LEU A 46 10.321 0.923 -1.292 1.00 0.00 C ATOM 635 C LEU A 46 10.322 -0.317 -0.404 1.00 0.00 C ATOM 636 O LEU A 46 11.344 -0.987 -0.259 1.00 0.00 O ATOM 637 CB LEU A 46 10.405 0.511 -2.763 1.00 0.00 C ATOM 638 CG LEU A 46 10.417 1.653 -3.780 1.00 0.00 C ATOM 639 CD1 LEU A 46 11.190 1.250 -5.026 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.996 2.061 -4.141 1.00 0.00 C ATOM 0 H LEU A 46 12.353 1.393 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 46 9.390 1.465 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.309 -0.082 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.559 -0.139 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 46 10.916 2.510 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.188 2.075 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.217 1.008 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.720 0.378 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.024 2.875 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.471 1.209 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.473 2.392 -3.244 1.00 0.00 H new ATOM 652 N ALA A 47 9.170 -0.618 0.186 1.00 0.00 N ATOM 653 CA ALA A 47 9.038 -1.779 1.056 1.00 0.00 C ATOM 654 C ALA A 47 7.585 -2.232 1.150 1.00 0.00 C ATOM 655 O ALA A 47 6.755 -1.567 1.770 1.00 0.00 O ATOM 656 CB ALA A 47 9.586 -1.467 2.440 1.00 0.00 C ATOM 0 H ALA A 47 8.315 -0.073 0.077 1.00 0.00 H new ATOM 0 HA ALA A 47 9.618 -2.594 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.481 -2.344 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.640 -1.199 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.031 -0.634 2.872 1.00 0.00 H new ATOM 662 N VAL A 48 7.282 -3.368 0.530 1.00 0.00 N ATOM 663 CA VAL A 48 5.929 -3.910 0.544 1.00 0.00 C ATOM 664 C VAL A 48 5.731 -4.866 1.715 1.00 0.00 C ATOM 665 O VAL A 48 6.483 -5.826 1.878 1.00 0.00 O ATOM 666 CB VAL A 48 5.607 -4.651 -0.768 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.270 -5.368 -0.662 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.611 -3.682 -1.941 1.00 0.00 C ATOM 0 H VAL A 48 7.956 -3.931 0.011 1.00 0.00 H new ATOM 0 HA VAL A 48 5.251 -3.063 0.651 1.00 0.00 H new ATOM 0 HB VAL A 48 6.380 -5.399 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.060 -5.886 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.309 -6.092 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.482 -4.641 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.382 -4.222 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.860 -2.909 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.594 -3.220 -2.028 1.00 0.00 H new ATOM 678 N GLU A 49 4.715 -4.595 2.528 1.00 0.00 N ATOM 679 CA GLU A 49 4.419 -5.431 3.685 1.00 0.00 C ATOM 680 C GLU A 49 3.065 -6.118 3.529 1.00 0.00 C ATOM 681 O GLU A 49 2.020 -5.512 3.759 1.00 0.00 O ATOM 682 CB GLU A 49 4.433 -4.593 4.965 1.00 0.00 C ATOM 683 CG GLU A 49 5.826 -4.161 5.394 1.00 0.00 C ATOM 684 CD GLU A 49 5.924 -3.906 6.886 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.113 -3.113 7.407 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.811 -4.502 7.531 1.00 0.00 O ATOM 0 H GLU A 49 4.083 -3.803 2.407 1.00 0.00 H new ATOM 0 HA GLU A 49 5.190 -6.198 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.817 -3.707 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.976 -5.167 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.544 -4.931 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.103 -3.255 4.855 1.00 0.00 H new ATOM 693 N GLY A 50 3.094 -7.388 3.135 1.00 0.00 N ATOM 694 CA GLY A 50 1.864 -8.136 2.954 1.00 0.00 C ATOM 695 C GLY A 50 1.860 -9.441 3.725 1.00 0.00 C ATOM 696 O GLY A 50 2.659 -9.649 4.638 1.00 0.00 O ATOM 0 H GLY A 50 3.947 -7.911 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.020 -7.525 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.721 -8.344 1.894 1.00 0.00 H new ATOM 700 N PRO A 51 0.941 -10.346 3.359 1.00 0.00 N ATOM 701 CA PRO A 51 0.813 -11.653 4.011 1.00 0.00 C ATOM 702 C PRO A 51 1.988 -12.574 3.699 1.00 0.00 C ATOM 703 O PRO A 51 2.027 -13.719 4.148 1.00 0.00 O ATOM 704 CB PRO A 51 -0.481 -12.219 3.422 1.00 0.00 C ATOM 705 CG PRO A 51 -0.625 -11.541 2.103 1.00 0.00 C ATOM 706 CD PRO A 51 -0.044 -10.165 2.279 1.00 0.00 C ATOM 0 HA PRO A 51 0.800 -11.567 5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.423 -13.301 3.307 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.334 -12.012 4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.098 -12.090 1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.672 -11.487 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.426 -9.807 1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.809 -9.438 2.551 1.00 0.00 H new ATOM 714 N SER A 52 2.943 -12.066 2.927 1.00 0.00 N ATOM 715 CA SER A 52 4.118 -12.845 2.552 1.00 0.00 C ATOM 716 C SER A 52 5.191 -11.949 1.940 1.00 0.00 C ATOM 717 O SER A 52 4.968 -10.760 1.712 1.00 0.00 O ATOM 718 CB SER A 52 3.731 -13.946 1.563 1.00 0.00 C ATOM 719 OG SER A 52 4.689 -14.990 1.562 1.00 0.00 O ATOM 0 H SER A 52 2.927 -11.119 2.549 1.00 0.00 H new ATOM 0 HA SER A 52 4.523 -13.303 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.752 -14.347 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.646 -13.526 0.561 1.00 0.00 H new ATOM 0 HG SER A 52 4.418 -15.682 0.923 1.00 0.00 H new ATOM 725 N LYS A 53 6.357 -12.529 1.677 1.00 0.00 N ATOM 726 CA LYS A 53 7.466 -11.787 1.091 1.00 0.00 C ATOM 727 C LYS A 53 7.300 -11.663 -0.420 1.00 0.00 C ATOM 728 O LYS A 53 6.942 -12.628 -1.096 1.00 0.00 O ATOM 729 CB LYS A 53 8.795 -12.474 1.414 1.00 0.00 C ATOM 730 CG LYS A 53 10.013 -11.646 1.047 1.00 0.00 C ATOM 731 CD LYS A 53 11.300 -12.315 1.500 1.00 0.00 C ATOM 732 CE LYS A 53 12.508 -11.756 0.765 1.00 0.00 C ATOM 733 NZ LYS A 53 12.894 -10.411 1.275 1.00 0.00 N ATOM 0 H LYS A 53 6.558 -13.512 1.861 1.00 0.00 H new ATOM 0 HA LYS A 53 7.468 -10.786 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.828 -12.700 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.840 -13.426 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.040 -11.496 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.934 -10.660 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.427 -12.172 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.233 -13.389 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.349 -12.441 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.287 -11.691 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.721 -10.064 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.101 -9.751 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.130 -10.478 2.286 1.00 0.00 H new ATOM 747 N VAL A 54 7.564 -10.471 -0.945 1.00 0.00 N ATOM 748 CA VAL A 54 7.446 -10.223 -2.377 1.00 0.00 C ATOM 749 C VAL A 54 8.662 -9.470 -2.906 1.00 0.00 C ATOM 750 O VAL A 54 8.909 -8.325 -2.527 1.00 0.00 O ATOM 751 CB VAL A 54 6.175 -9.417 -2.704 1.00 0.00 C ATOM 752 CG1 VAL A 54 4.952 -10.321 -2.692 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.007 -8.266 -1.724 1.00 0.00 C ATOM 0 H VAL A 54 7.861 -9.662 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 54 7.385 -11.197 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 54 6.278 -8.999 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.064 -9.734 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.073 -11.107 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.841 -10.770 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.104 -7.707 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.925 -8.660 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.871 -7.605 -1.788 1.00 0.00 H new ATOM 763 N ASP A 55 9.417 -10.120 -3.784 1.00 0.00 N ATOM 764 CA ASP A 55 10.607 -9.512 -4.368 1.00 0.00 C ATOM 765 C ASP A 55 10.273 -8.168 -5.007 1.00 0.00 C ATOM 766 O ASP A 55 9.135 -7.930 -5.414 1.00 0.00 O ATOM 767 CB ASP A 55 11.225 -10.447 -5.409 1.00 0.00 C ATOM 768 CG ASP A 55 11.873 -11.665 -4.781 1.00 0.00 C ATOM 769 OD1 ASP A 55 12.896 -11.500 -4.083 1.00 0.00 O ATOM 770 OD2 ASP A 55 11.357 -12.783 -4.986 1.00 0.00 O ATOM 0 H ASP A 55 9.226 -11.068 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 55 11.329 -9.344 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.453 -10.769 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.970 -9.900 -5.987 1.00 0.00 H new ATOM 775 N ILE A 56 11.270 -7.294 -5.091 1.00 0.00 N ATOM 776 CA ILE A 56 11.081 -5.975 -5.681 1.00 0.00 C ATOM 777 C ILE A 56 12.229 -5.623 -6.620 1.00 0.00 C ATOM 778 O ILE A 56 13.367 -5.447 -6.185 1.00 0.00 O ATOM 779 CB ILE A 56 10.965 -4.885 -4.598 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.806 -5.199 -3.650 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.777 -3.519 -5.240 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.506 -4.083 -2.673 1.00 0.00 C ATOM 0 H ILE A 56 12.217 -7.476 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 56 10.151 -6.013 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 56 11.888 -4.868 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.912 -5.406 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.039 -6.106 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.697 -2.759 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.632 -3.296 -5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.867 -3.521 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.674 -4.374 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.386 -3.890 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.242 -3.179 -3.223 1.00 0.00 H new ATOM 794 N GLN A 57 11.922 -5.520 -7.909 1.00 0.00 N ATOM 795 CA GLN A 57 12.930 -5.187 -8.909 1.00 0.00 C ATOM 796 C GLN A 57 12.699 -3.787 -9.469 1.00 0.00 C ATOM 797 O GLN A 57 11.595 -3.451 -9.897 1.00 0.00 O ATOM 798 CB GLN A 57 12.910 -6.213 -10.044 1.00 0.00 C ATOM 799 CG GLN A 57 13.429 -7.582 -9.636 1.00 0.00 C ATOM 800 CD GLN A 57 12.335 -8.483 -9.097 1.00 0.00 C ATOM 801 OE1 GLN A 57 12.109 -8.550 -7.888 1.00 0.00 O ATOM 802 NE2 GLN A 57 11.648 -9.182 -9.993 1.00 0.00 N ATOM 0 H GLN A 57 10.985 -5.662 -8.285 1.00 0.00 H new ATOM 0 HA GLN A 57 13.907 -5.209 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.889 -6.316 -10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.511 -5.838 -10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.898 -8.060 -10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.203 -7.462 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.869 -9.096 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.900 -9.805 -9.689 1.00 0.00 H new ATOM 811 N THR A 58 13.750 -2.972 -9.463 1.00 0.00 N ATOM 812 CA THR A 58 13.662 -1.608 -9.968 1.00 0.00 C ATOM 813 C THR A 58 14.662 -1.374 -11.095 1.00 0.00 C ATOM 814 O THR A 58 15.662 -2.083 -11.206 1.00 0.00 O ATOM 815 CB THR A 58 13.914 -0.578 -8.851 1.00 0.00 C ATOM 816 OG1 THR A 58 15.180 -0.827 -8.231 1.00 0.00 O ATOM 817 CG2 THR A 58 12.811 -0.634 -7.805 1.00 0.00 C ATOM 0 H THR A 58 14.672 -3.234 -9.114 1.00 0.00 H new ATOM 0 HA THR A 58 12.650 -1.477 -10.351 1.00 0.00 H new ATOM 0 HB THR A 58 13.919 0.416 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.333 -0.167 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.010 0.102 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.852 -0.414 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.779 -1.630 -7.363 1.00 0.00 H new ATOM 825 N GLU A 59 14.386 -0.374 -11.927 1.00 0.00 N ATOM 826 CA GLU A 59 15.263 -0.048 -13.045 1.00 0.00 C ATOM 827 C GLU A 59 15.004 1.371 -13.543 1.00 0.00 C ATOM 828 O GLU A 59 13.856 1.801 -13.655 1.00 0.00 O ATOM 829 CB GLU A 59 15.063 -1.046 -14.188 1.00 0.00 C ATOM 830 CG GLU A 59 15.934 -0.765 -15.400 1.00 0.00 C ATOM 831 CD GLU A 59 17.413 -0.747 -15.065 1.00 0.00 C ATOM 832 OE1 GLU A 59 17.961 -1.823 -14.744 1.00 0.00 O ATOM 833 OE2 GLU A 59 18.022 0.341 -15.123 1.00 0.00 O ATOM 0 H GLU A 59 13.563 0.223 -11.848 1.00 0.00 H new ATOM 0 HA GLU A 59 16.293 -0.110 -12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.276 -2.051 -13.823 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.016 -1.032 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.747 -1.523 -16.161 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.651 0.195 -15.831 1.00 0.00 H new ATOM 840 N ASP A 60 16.079 2.093 -13.840 1.00 0.00 N ATOM 841 CA ASP A 60 15.969 3.463 -14.326 1.00 0.00 C ATOM 842 C ASP A 60 15.558 3.487 -15.795 1.00 0.00 C ATOM 843 O ASP A 60 16.199 2.863 -16.641 1.00 0.00 O ATOM 844 CB ASP A 60 17.298 4.200 -14.144 1.00 0.00 C ATOM 845 CG ASP A 60 17.394 5.442 -15.008 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.887 6.501 -14.583 1.00 0.00 O ATOM 847 OD2 ASP A 60 17.977 5.355 -16.108 1.00 0.00 O ATOM 0 H ASP A 60 17.036 1.752 -13.753 1.00 0.00 H new ATOM 0 HA ASP A 60 15.199 3.968 -13.743 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.415 4.479 -13.097 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.120 3.527 -14.388 1.00 0.00 H new ATOM 852 N LEU A 61 14.484 4.210 -16.091 1.00 0.00 N ATOM 853 CA LEU A 61 13.985 4.315 -17.458 1.00 0.00 C ATOM 854 C LEU A 61 14.552 5.550 -18.152 1.00 0.00 C ATOM 855 O LEU A 61 15.358 6.280 -17.577 1.00 0.00 O ATOM 856 CB LEU A 61 12.456 4.371 -17.461 1.00 0.00 C ATOM 857 CG LEU A 61 11.736 3.082 -17.063 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.232 3.300 -17.028 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.092 1.955 -18.021 1.00 0.00 C ATOM 0 H LEU A 61 13.942 4.732 -15.403 1.00 0.00 H new ATOM 0 HA LEU A 61 14.311 3.431 -18.006 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.140 5.164 -16.783 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.125 4.655 -18.460 1.00 0.00 H new ATOM 0 HG LEU A 61 12.064 2.799 -16.063 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.736 2.372 -16.743 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.994 4.077 -16.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.886 3.608 -18.015 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.571 1.045 -17.723 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.793 2.229 -19.033 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.168 1.782 -17.995 1.00 0.00 H new ATOM 871 N GLU A 62 14.123 5.776 -19.390 1.00 0.00 N ATOM 872 CA GLU A 62 14.587 6.924 -20.160 1.00 0.00 C ATOM 873 C GLU A 62 13.775 8.171 -19.822 1.00 0.00 C ATOM 874 O GLU A 62 14.294 9.287 -19.846 1.00 0.00 O ATOM 875 CB GLU A 62 14.493 6.631 -21.659 1.00 0.00 C ATOM 876 CG GLU A 62 13.066 6.519 -22.169 1.00 0.00 C ATOM 877 CD GLU A 62 12.459 7.867 -22.504 1.00 0.00 C ATOM 878 OE1 GLU A 62 13.189 8.735 -23.027 1.00 0.00 O ATOM 879 OE2 GLU A 62 11.252 8.055 -22.243 1.00 0.00 O ATOM 0 H GLU A 62 13.456 5.180 -19.880 1.00 0.00 H new ATOM 0 HA GLU A 62 15.629 7.109 -19.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.005 7.421 -22.208 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.020 5.701 -21.873 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.050 5.887 -23.057 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.452 6.026 -21.415 1.00 0.00 H new ATOM 886 N ASP A 63 12.500 7.972 -19.509 1.00 0.00 N ATOM 887 CA ASP A 63 11.615 9.079 -19.165 1.00 0.00 C ATOM 888 C ASP A 63 12.047 9.734 -17.857 1.00 0.00 C ATOM 889 O ASP A 63 11.660 10.863 -17.559 1.00 0.00 O ATOM 890 CB ASP A 63 10.171 8.590 -19.053 1.00 0.00 C ATOM 891 CG ASP A 63 9.179 9.732 -18.953 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.824 10.304 -20.004 1.00 0.00 O ATOM 893 OD2 ASP A 63 8.758 10.055 -17.822 1.00 0.00 O ATOM 0 H ASP A 63 12.056 7.054 -19.486 1.00 0.00 H new ATOM 0 HA ASP A 63 11.677 9.822 -19.960 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.929 7.978 -19.922 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.074 7.951 -18.176 1.00 0.00 H new ATOM 898 N GLY A 64 12.850 9.015 -17.078 1.00 0.00 N ATOM 899 CA GLY A 64 13.319 9.541 -15.810 1.00 0.00 C ATOM 900 C GLY A 64 12.458 9.098 -14.643 1.00 0.00 C ATOM 901 O GLY A 64 12.400 9.771 -13.613 1.00 0.00 O ATOM 0 H GLY A 64 13.184 8.078 -17.303 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.346 9.216 -15.643 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.332 10.630 -15.855 1.00 0.00 H new ATOM 905 N THR A 65 11.784 7.964 -14.805 1.00 0.00 N ATOM 906 CA THR A 65 10.920 7.433 -13.758 1.00 0.00 C ATOM 907 C THR A 65 11.434 6.092 -13.248 1.00 0.00 C ATOM 908 O THR A 65 12.342 5.501 -13.833 1.00 0.00 O ATOM 909 CB THR A 65 9.474 7.259 -14.260 1.00 0.00 C ATOM 910 OG1 THR A 65 9.400 6.155 -15.169 1.00 0.00 O ATOM 911 CG2 THR A 65 8.983 8.523 -14.948 1.00 0.00 C ATOM 0 H THR A 65 11.820 7.396 -15.651 1.00 0.00 H new ATOM 0 HA THR A 65 10.930 8.156 -12.942 1.00 0.00 H new ATOM 0 HB THR A 65 8.836 7.063 -13.398 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.686 6.315 -15.821 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.960 8.375 -15.294 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.012 9.355 -14.244 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.625 8.746 -15.800 1.00 0.00 H new ATOM 919 N CYS A 66 10.848 5.617 -12.155 1.00 0.00 N ATOM 920 CA CYS A 66 11.247 4.344 -11.565 1.00 0.00 C ATOM 921 C CYS A 66 10.143 3.303 -11.718 1.00 0.00 C ATOM 922 O CYS A 66 9.029 3.487 -11.226 1.00 0.00 O ATOM 923 CB CYS A 66 11.590 4.528 -10.086 1.00 0.00 C ATOM 924 SG CYS A 66 13.320 4.953 -9.776 1.00 0.00 S ATOM 0 H CYS A 66 10.095 6.094 -11.659 1.00 0.00 H new ATOM 0 HA CYS A 66 12.131 3.989 -12.094 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.955 5.311 -9.672 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.352 3.608 -9.552 1.00 0.00 H new ATOM 0 HG CYS A 66 13.679 4.490 -8.616 1.00 0.00 H new ATOM 930 N LYS A 67 10.458 2.210 -12.404 1.00 0.00 N ATOM 931 CA LYS A 67 9.493 1.139 -12.623 1.00 0.00 C ATOM 932 C LYS A 67 9.740 -0.021 -11.664 1.00 0.00 C ATOM 933 O LYS A 67 10.695 -0.781 -11.826 1.00 0.00 O ATOM 934 CB LYS A 67 9.569 0.644 -14.069 1.00 0.00 C ATOM 935 CG LYS A 67 8.355 -0.159 -14.502 1.00 0.00 C ATOM 936 CD LYS A 67 8.258 -0.251 -16.016 1.00 0.00 C ATOM 937 CE LYS A 67 9.385 -1.091 -16.597 1.00 0.00 C ATOM 938 NZ LYS A 67 9.065 -1.575 -17.968 1.00 0.00 N ATOM 0 H LYS A 67 11.375 2.042 -12.818 1.00 0.00 H new ATOM 0 HA LYS A 67 8.496 1.538 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.682 1.502 -14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.462 0.030 -14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.411 -1.162 -14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.451 0.304 -14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.298 -0.686 -16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.291 0.750 -16.445 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.301 -0.501 -16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.575 -1.944 -15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.857 -2.143 -18.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.205 -2.159 -17.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.908 -0.761 -18.596 1.00 0.00 H new ATOM 952 N VAL A 68 8.873 -0.152 -10.664 1.00 0.00 N ATOM 953 CA VAL A 68 8.997 -1.221 -9.680 1.00 0.00 C ATOM 954 C VAL A 68 8.228 -2.462 -10.119 1.00 0.00 C ATOM 955 O VAL A 68 7.201 -2.364 -10.789 1.00 0.00 O ATOM 956 CB VAL A 68 8.483 -0.774 -8.299 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.767 -1.840 -7.253 1.00 0.00 C ATOM 958 CG2 VAL A 68 9.109 0.555 -7.902 1.00 0.00 C ATOM 0 H VAL A 68 8.078 0.469 -10.514 1.00 0.00 H new ATOM 0 HA VAL A 68 10.057 -1.461 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 68 7.403 -0.637 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.397 -1.506 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.267 -2.767 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.842 -2.012 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.734 0.856 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.193 0.448 -7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.849 1.314 -8.639 1.00 0.00 H new ATOM 968 N SER A 69 8.734 -3.630 -9.736 1.00 0.00 N ATOM 969 CA SER A 69 8.097 -4.893 -10.092 1.00 0.00 C ATOM 970 C SER A 69 8.167 -5.882 -8.933 1.00 0.00 C ATOM 971 O SER A 69 9.204 -6.025 -8.284 1.00 0.00 O ATOM 972 CB SER A 69 8.764 -5.493 -11.331 1.00 0.00 C ATOM 973 OG SER A 69 8.558 -4.675 -12.469 1.00 0.00 O ATOM 0 H SER A 69 9.583 -3.728 -9.179 1.00 0.00 H new ATOM 0 HA SER A 69 7.049 -4.693 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.833 -5.609 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.362 -6.489 -11.518 1.00 0.00 H new ATOM 0 HG SER A 69 8.996 -5.080 -13.247 1.00 0.00 H new ATOM 979 N TYR A 70 7.055 -6.564 -8.678 1.00 0.00 N ATOM 980 CA TYR A 70 6.988 -7.539 -7.596 1.00 0.00 C ATOM 981 C TYR A 70 6.141 -8.742 -7.999 1.00 0.00 C ATOM 982 O TYR A 70 5.230 -8.628 -8.819 1.00 0.00 O ATOM 983 CB TYR A 70 6.410 -6.893 -6.335 1.00 0.00 C ATOM 984 CG TYR A 70 4.921 -6.641 -6.412 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.010 -7.606 -6.001 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.425 -5.436 -6.896 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.649 -7.379 -6.070 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.066 -5.200 -6.968 1.00 0.00 C ATOM 989 CZ TYR A 70 2.182 -6.175 -6.554 1.00 0.00 C ATOM 990 OH TYR A 70 0.827 -5.945 -6.624 1.00 0.00 O ATOM 0 H TYR A 70 6.188 -6.459 -9.206 1.00 0.00 H new ATOM 0 HA TYR A 70 8.001 -7.884 -7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.617 -7.536 -5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.921 -5.947 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.372 -8.550 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.114 -4.671 -7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.955 -8.140 -5.747 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.698 -4.258 -7.346 1.00 0.00 H new ATOM 0 HH TYR A 70 0.666 -5.049 -6.986 1.00 0.00 H new ATOM 1000 N PHE A 71 6.448 -9.896 -7.415 1.00 0.00 N ATOM 1001 CA PHE A 71 5.717 -11.122 -7.712 1.00 0.00 C ATOM 1002 C PHE A 71 5.102 -11.709 -6.445 1.00 0.00 C ATOM 1003 O PHE A 71 5.766 -12.385 -5.658 1.00 0.00 O ATOM 1004 CB PHE A 71 6.644 -12.148 -8.366 1.00 0.00 C ATOM 1005 CG PHE A 71 5.913 -13.290 -9.012 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.374 -13.156 -10.281 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.765 -14.498 -8.350 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.701 -14.205 -10.878 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.093 -15.551 -8.942 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.561 -15.404 -10.208 1.00 0.00 C ATOM 0 H PHE A 71 7.198 -10.007 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 71 4.912 -10.877 -8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.255 -11.647 -9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.325 -12.543 -7.612 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.481 -12.221 -10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.179 -14.618 -7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.285 -14.087 -11.868 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.984 -16.487 -8.415 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.036 -16.226 -10.673 1.00 0.00 H new ATOM 1020 N PRO A 72 3.803 -11.446 -6.241 1.00 0.00 N ATOM 1021 CA PRO A 72 3.070 -11.938 -5.071 1.00 0.00 C ATOM 1022 C PRO A 72 2.858 -13.448 -5.113 1.00 0.00 C ATOM 1023 O PRO A 72 2.748 -14.041 -6.187 1.00 0.00 O ATOM 1024 CB PRO A 72 1.728 -11.207 -5.160 1.00 0.00 C ATOM 1025 CG PRO A 72 1.564 -10.891 -6.606 1.00 0.00 C ATOM 1026 CD PRO A 72 2.950 -10.647 -7.136 1.00 0.00 C ATOM 0 HA PRO A 72 3.611 -11.753 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.912 -11.832 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.730 -10.301 -4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.084 -11.715 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.933 -10.013 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.046 -10.967 -8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.212 -9.590 -7.103 1.00 0.00 H new ATOM 1034 N THR A 73 2.801 -14.066 -3.937 1.00 0.00 N ATOM 1035 CA THR A 73 2.603 -15.507 -3.840 1.00 0.00 C ATOM 1036 C THR A 73 1.402 -15.838 -2.962 1.00 0.00 C ATOM 1037 O THR A 73 0.854 -16.938 -3.033 1.00 0.00 O ATOM 1038 CB THR A 73 3.851 -16.208 -3.270 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.118 -15.732 -1.946 1.00 0.00 O ATOM 1040 CG2 THR A 73 5.062 -15.962 -4.156 1.00 0.00 C ATOM 0 H THR A 73 2.889 -13.591 -3.039 1.00 0.00 H new ATOM 0 HA THR A 73 2.422 -15.871 -4.851 1.00 0.00 H new ATOM 0 HB THR A 73 3.656 -17.280 -3.238 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.912 -16.183 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.931 -16.467 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.867 -16.351 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.258 -14.891 -4.216 1.00 0.00 H new ATOM 1048 N VAL A 74 0.997 -14.880 -2.135 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.142 -15.070 -1.244 1.00 0.00 C ATOM 1050 C VAL A 74 -1.112 -13.898 -1.334 1.00 0.00 C ATOM 1051 O VAL A 74 -0.731 -12.734 -1.207 1.00 0.00 O ATOM 1052 CB VAL A 74 0.312 -15.236 0.219 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.891 -15.396 1.136 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.256 -16.421 0.353 1.00 0.00 C ATOM 0 H VAL A 74 1.440 -13.964 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.647 -15.981 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 74 0.850 -14.337 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.551 -15.512 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.526 -14.513 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.459 -16.278 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.566 -16.523 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.746 -17.330 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.133 -16.260 -0.273 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.397 -14.209 -1.558 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.450 -13.195 -1.669 1.00 0.00 C ATOM 1066 C PRO A 75 -3.745 -12.517 -0.335 1.00 0.00 C ATOM 1067 O PRO A 75 -3.666 -13.143 0.721 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.665 -13.995 -2.143 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.412 -15.385 -1.667 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.922 -15.575 -1.720 1.00 0.00 C ATOM 0 HA PRO A 75 -3.167 -12.386 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.589 -13.596 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.764 -13.960 -3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.788 -15.525 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.921 -16.113 -2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.573 -16.236 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.607 -16.017 -2.665 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.085 -11.233 -0.392 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.387 -10.492 0.819 1.00 0.00 C ATOM 1080 C GLY A 76 -4.290 -8.993 0.621 1.00 0.00 C ATOM 1081 O GLY A 76 -4.779 -8.457 -0.374 1.00 0.00 O ATOM 0 H GLY A 76 -4.157 -10.693 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.392 -10.747 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.700 -10.796 1.608 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.657 -8.311 1.570 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.497 -6.864 1.496 1.00 0.00 C ATOM 1087 C VAL A 77 -2.031 -6.466 1.622 1.00 0.00 C ATOM 1088 O VAL A 77 -1.454 -6.519 2.708 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.307 -6.152 2.596 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.074 -4.650 2.544 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.788 -6.475 2.459 1.00 0.00 C ATOM 0 H VAL A 77 -3.246 -8.738 2.400 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.872 -6.554 0.521 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.967 -6.514 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.654 -4.164 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.015 -4.441 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.385 -4.267 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.346 -5.964 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.144 -6.142 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.936 -7.551 2.551 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.434 -6.066 0.505 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.034 -5.660 0.489 1.00 0.00 C ATOM 1103 C TYR A 78 0.097 -4.149 0.652 1.00 0.00 C ATOM 1104 O TYR A 78 -0.530 -3.379 -0.075 1.00 0.00 O ATOM 1105 CB TYR A 78 0.633 -6.104 -0.814 1.00 0.00 C ATOM 1106 CG TYR A 78 0.882 -7.593 -0.891 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.090 -8.455 -1.385 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.088 -8.139 -0.468 1.00 0.00 C ATOM 1109 CE1 TYR A 78 0.133 -9.816 -1.457 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.319 -9.499 -0.537 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.339 -10.334 -1.032 1.00 0.00 C ATOM 1112 OH TYR A 78 1.565 -11.689 -1.101 1.00 0.00 O ATOM 0 H TYR A 78 -1.898 -6.014 -0.402 1.00 0.00 H new ATOM 0 HA TYR A 78 0.467 -6.142 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.005 -5.805 -1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.582 -5.579 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.036 -8.054 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.858 -7.489 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.633 -10.472 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.262 -9.907 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 78 0.708 -12.162 -1.144 1.00 0.00 H new ATOM 1122 N ILE A 79 0.917 -3.733 1.611 1.00 0.00 N ATOM 1123 CA ILE A 79 1.133 -2.315 1.869 1.00 0.00 C ATOM 1124 C ILE A 79 2.385 -1.811 1.160 1.00 0.00 C ATOM 1125 O ILE A 79 3.505 -2.038 1.619 1.00 0.00 O ATOM 1126 CB ILE A 79 1.261 -2.030 3.378 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.021 -2.531 4.120 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.466 -0.542 3.620 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.236 -1.758 3.787 1.00 0.00 C ATOM 0 H ILE A 79 1.443 -4.358 2.222 1.00 0.00 H new ATOM 0 HA ILE A 79 0.262 -1.788 1.480 1.00 0.00 H new ATOM 0 HB ILE A 79 2.131 -2.563 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.135 -3.583 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.201 -2.471 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.555 -0.356 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.376 -0.214 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.614 0.012 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.075 -2.168 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.099 -0.710 4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.441 -1.839 2.719 1.00 0.00 H new ATOM 1141 N VAL A 80 2.188 -1.124 0.039 1.00 0.00 N ATOM 1142 CA VAL A 80 3.302 -0.585 -0.733 1.00 0.00 C ATOM 1143 C VAL A 80 3.714 0.789 -0.216 1.00 0.00 C ATOM 1144 O VAL A 80 3.091 1.799 -0.543 1.00 0.00 O ATOM 1145 CB VAL A 80 2.947 -0.474 -2.227 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.064 0.220 -2.991 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.666 -1.851 -2.811 1.00 0.00 C ATOM 0 H VAL A 80 1.268 -0.928 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 80 4.134 -1.279 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 80 2.044 0.128 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.795 0.289 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.213 1.222 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.986 -0.353 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.417 -1.754 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.550 -2.479 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.830 -2.307 -2.281 1.00 0.00 H new ATOM 1157 N SER A 81 4.769 0.819 0.592 1.00 0.00 N ATOM 1158 CA SER A 81 5.263 2.069 1.157 1.00 0.00 C ATOM 1159 C SER A 81 6.177 2.788 0.169 1.00 0.00 C ATOM 1160 O SER A 81 7.361 2.470 0.054 1.00 0.00 O ATOM 1161 CB SER A 81 6.015 1.801 2.462 1.00 0.00 C ATOM 1162 OG SER A 81 5.117 1.665 3.550 1.00 0.00 O ATOM 0 H SER A 81 5.298 -0.008 0.870 1.00 0.00 H new ATOM 0 HA SER A 81 4.406 2.709 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.610 0.893 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.709 2.618 2.659 1.00 0.00 H new ATOM 0 HG SER A 81 5.622 1.493 4.372 1.00 0.00 H new ATOM 1168 N THR A 82 5.618 3.761 -0.544 1.00 0.00 N ATOM 1169 CA THR A 82 6.380 4.525 -1.524 1.00 0.00 C ATOM 1170 C THR A 82 6.870 5.842 -0.933 1.00 0.00 C ATOM 1171 O THR A 82 6.074 6.723 -0.605 1.00 0.00 O ATOM 1172 CB THR A 82 5.541 4.821 -2.781 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.791 3.660 -3.154 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.432 5.249 -3.938 1.00 0.00 C ATOM 0 H THR A 82 4.640 4.038 -0.461 1.00 0.00 H new ATOM 0 HA THR A 82 7.238 3.913 -1.804 1.00 0.00 H new ATOM 0 HB THR A 82 4.856 5.637 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.259 3.857 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.817 5.453 -4.815 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.980 6.150 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.138 4.451 -4.168 1.00 0.00 H new ATOM 1182 N LYS A 83 8.186 5.972 -0.799 1.00 0.00 N ATOM 1183 CA LYS A 83 8.784 7.183 -0.250 1.00 0.00 C ATOM 1184 C LYS A 83 9.772 7.797 -1.236 1.00 0.00 C ATOM 1185 O LYS A 83 10.396 7.090 -2.027 1.00 0.00 O ATOM 1186 CB LYS A 83 9.491 6.872 1.071 1.00 0.00 C ATOM 1187 CG LYS A 83 8.577 6.943 2.282 1.00 0.00 C ATOM 1188 CD LYS A 83 9.368 7.101 3.570 1.00 0.00 C ATOM 1189 CE LYS A 83 9.821 5.754 4.114 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.004 5.887 5.008 1.00 0.00 N ATOM 0 H LYS A 83 8.859 5.253 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 83 7.986 7.903 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.927 5.875 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.315 7.573 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.889 7.781 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.971 6.039 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.238 7.733 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.755 7.608 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.002 5.290 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.065 5.091 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.282 4.948 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.794 6.307 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.763 6.499 5.813 1.00 0.00 H new ATOM 1204 N PHE A 84 9.911 9.118 -1.182 1.00 0.00 N ATOM 1205 CA PHE A 84 10.825 9.827 -2.070 1.00 0.00 C ATOM 1206 C PHE A 84 11.436 11.036 -1.368 1.00 0.00 C ATOM 1207 O PHE A 84 10.738 11.993 -1.035 1.00 0.00 O ATOM 1208 CB PHE A 84 10.093 10.275 -3.337 1.00 0.00 C ATOM 1209 CG PHE A 84 10.869 11.264 -4.159 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.865 10.836 -5.022 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.602 12.620 -4.069 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.581 11.743 -5.781 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.314 13.532 -4.826 1.00 0.00 C ATOM 1214 CZ PHE A 84 12.305 13.093 -5.681 1.00 0.00 C ATOM 0 H PHE A 84 9.403 9.719 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 84 11.629 9.144 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.873 9.400 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.137 10.718 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 84 12.085 9.782 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.829 12.969 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 84 13.354 11.397 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 84 11.095 14.587 -4.748 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.864 13.804 -6.271 1.00 0.00 H new ATOM 1224 N ALA A 85 12.746 10.984 -1.146 1.00 0.00 N ATOM 1225 CA ALA A 85 13.452 12.074 -0.485 1.00 0.00 C ATOM 1226 C ALA A 85 12.948 12.271 0.941 1.00 0.00 C ATOM 1227 O ALA A 85 12.741 13.400 1.386 1.00 0.00 O ATOM 1228 CB ALA A 85 13.301 13.361 -1.283 1.00 0.00 C ATOM 0 H ALA A 85 13.339 10.199 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 85 14.509 11.812 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.833 14.167 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.717 13.221 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.245 13.618 -1.363 1.00 0.00 H new ATOM 1234 N ASP A 86 12.752 11.167 1.652 1.00 0.00 N ATOM 1235 CA ASP A 86 12.272 11.218 3.028 1.00 0.00 C ATOM 1236 C ASP A 86 10.865 11.805 3.091 1.00 0.00 C ATOM 1237 O ASP A 86 10.556 12.606 3.972 1.00 0.00 O ATOM 1238 CB ASP A 86 13.223 12.048 3.892 1.00 0.00 C ATOM 1239 CG ASP A 86 12.945 11.890 5.374 1.00 0.00 C ATOM 1240 OD1 ASP A 86 12.557 10.779 5.789 1.00 0.00 O ATOM 1241 OD2 ASP A 86 13.115 12.879 6.118 1.00 0.00 O ATOM 0 H ASP A 86 12.918 10.225 1.298 1.00 0.00 H new ATOM 0 HA ASP A 86 12.239 10.199 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.251 11.751 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.134 13.099 3.619 1.00 0.00 H new ATOM 1246 N GLU A 87 10.018 11.401 2.149 1.00 0.00 N ATOM 1247 CA GLU A 87 8.645 11.889 2.098 1.00 0.00 C ATOM 1248 C GLU A 87 7.738 10.889 1.385 1.00 0.00 C ATOM 1249 O GLU A 87 8.011 10.483 0.255 1.00 0.00 O ATOM 1250 CB GLU A 87 8.587 13.243 1.387 1.00 0.00 C ATOM 1251 CG GLU A 87 8.894 14.421 2.296 1.00 0.00 C ATOM 1252 CD GLU A 87 8.662 15.757 1.618 1.00 0.00 C ATOM 1253 OE1 GLU A 87 9.600 16.261 0.965 1.00 0.00 O ATOM 1254 OE2 GLU A 87 7.544 16.299 1.740 1.00 0.00 O ATOM 0 H GLU A 87 10.258 10.738 1.412 1.00 0.00 H new ATOM 0 HA GLU A 87 8.291 12.009 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.296 13.240 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.594 13.376 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.272 14.358 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.931 14.360 2.625 1.00 0.00 H new ATOM 1261 N HIS A 88 6.659 10.496 2.054 1.00 0.00 N ATOM 1262 CA HIS A 88 5.712 9.544 1.486 1.00 0.00 C ATOM 1263 C HIS A 88 4.844 10.210 0.422 1.00 0.00 C ATOM 1264 O HIS A 88 4.298 11.291 0.640 1.00 0.00 O ATOM 1265 CB HIS A 88 4.828 8.953 2.585 1.00 0.00 C ATOM 1266 CG HIS A 88 5.395 7.715 3.209 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.968 6.445 2.884 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.363 7.558 4.142 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.648 5.560 3.592 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.501 6.210 4.363 1.00 0.00 N ATOM 0 H HIS A 88 6.419 10.822 2.990 1.00 0.00 H new ATOM 0 HA HIS A 88 6.280 8.741 1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.676 9.704 3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.848 8.723 2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.241 6.223 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.923 8.346 4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.527 4.488 3.548 1.00 0.00 H new ATOM 1279 N VAL A 89 4.723 9.557 -0.729 1.00 0.00 N ATOM 1280 CA VAL A 89 3.921 10.086 -1.827 1.00 0.00 C ATOM 1281 C VAL A 89 2.567 10.581 -1.330 1.00 0.00 C ATOM 1282 O VAL A 89 2.065 10.152 -0.292 1.00 0.00 O ATOM 1283 CB VAL A 89 3.698 9.025 -2.921 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.941 8.878 -3.784 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.310 7.692 -2.298 1.00 0.00 C ATOM 0 H VAL A 89 5.170 8.661 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 89 4.477 10.922 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 89 2.879 9.354 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.764 8.124 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.169 9.832 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.782 8.572 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.156 6.954 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.107 7.355 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.389 7.811 -1.727 1.00 0.00 H new ATOM 1295 N PRO A 90 1.961 11.506 -2.089 1.00 0.00 N ATOM 1296 CA PRO A 90 0.656 12.079 -1.746 1.00 0.00 C ATOM 1297 C PRO A 90 -0.478 11.070 -1.897 1.00 0.00 C ATOM 1298 O PRO A 90 -1.144 11.021 -2.930 1.00 0.00 O ATOM 1299 CB PRO A 90 0.494 13.220 -2.754 1.00 0.00 C ATOM 1300 CG PRO A 90 1.339 12.823 -3.915 1.00 0.00 C ATOM 1301 CD PRO A 90 2.502 12.063 -3.340 1.00 0.00 C ATOM 0 HA PRO A 90 0.613 12.401 -0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.548 13.344 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.822 14.170 -2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.776 12.205 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.680 13.699 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.842 11.278 -4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.355 12.715 -3.154 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.691 10.267 -0.859 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.746 9.271 -0.897 1.00 0.00 C ATOM 1311 C GLY A 91 -1.323 7.956 -0.273 1.00 0.00 C ATOM 1312 O GLY A 91 -2.110 7.011 -0.208 1.00 0.00 O ATOM 0 H GLY A 91 -0.152 10.288 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.622 9.653 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.043 9.100 -1.932 1.00 0.00 H new ATOM 1316 N SER A 92 -0.077 7.893 0.186 1.00 0.00 N ATOM 1317 CA SER A 92 0.450 6.682 0.803 1.00 0.00 C ATOM 1318 C SER A 92 -0.066 6.531 2.231 1.00 0.00 C ATOM 1319 O SER A 92 -0.541 7.483 2.851 1.00 0.00 O ATOM 1320 CB SER A 92 1.980 6.708 0.802 1.00 0.00 C ATOM 1321 OG SER A 92 2.500 6.057 -0.344 1.00 0.00 O ATOM 0 H SER A 92 0.586 8.667 0.142 1.00 0.00 H new ATOM 0 HA SER A 92 0.108 5.828 0.219 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.329 7.740 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.356 6.222 1.702 1.00 0.00 H new ATOM 0 HG SER A 92 1.789 5.949 -1.010 1.00 0.00 H new ATOM 1327 N PRO A 93 0.029 5.305 2.767 1.00 0.00 N ATOM 1328 CA PRO A 93 0.592 4.164 2.038 1.00 0.00 C ATOM 1329 C PRO A 93 -0.308 3.703 0.898 1.00 0.00 C ATOM 1330 O PRO A 93 -1.409 4.223 0.713 1.00 0.00 O ATOM 1331 CB PRO A 93 0.698 3.076 3.110 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.339 3.435 4.118 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.407 4.938 4.124 1.00 0.00 C ATOM 0 HA PRO A 93 1.543 4.411 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.516 2.087 2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.693 3.055 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.304 3.002 3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.074 3.052 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.416 5.294 4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.245 5.367 4.885 1.00 0.00 H new ATOM 1341 N PHE A 94 0.165 2.722 0.135 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.598 2.191 -0.988 1.00 0.00 C ATOM 1343 C PHE A 94 -1.116 0.790 -0.679 1.00 0.00 C ATOM 1344 O PHE A 94 -0.346 -0.167 -0.600 1.00 0.00 O ATOM 1345 CB PHE A 94 0.267 2.160 -2.250 1.00 0.00 C ATOM 1346 CG PHE A 94 0.251 3.450 -3.020 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.510 4.654 -2.385 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.025 3.458 -4.378 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.496 5.843 -3.091 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.040 4.644 -5.088 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.220 5.838 -4.444 1.00 0.00 C ATOM 0 H PHE A 94 1.073 2.279 0.275 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.452 2.846 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.294 1.925 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.079 1.355 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.725 4.664 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.231 2.528 -4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.701 6.775 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.255 4.637 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.207 6.765 -4.997 1.00 0.00 H new ATOM 1361 N THR A 95 -2.430 0.676 -0.504 1.00 0.00 N ATOM 1362 CA THR A 95 -3.052 -0.606 -0.202 1.00 0.00 C ATOM 1363 C THR A 95 -3.450 -1.338 -1.479 1.00 0.00 C ATOM 1364 O THR A 95 -4.431 -0.982 -2.131 1.00 0.00 O ATOM 1365 CB THR A 95 -4.300 -0.430 0.684 1.00 0.00 C ATOM 1366 OG1 THR A 95 -3.955 0.282 1.878 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.900 -1.779 1.048 1.00 0.00 C ATOM 0 H THR A 95 -3.083 1.457 -0.567 1.00 0.00 H new ATOM 0 HA THR A 95 -2.312 -1.197 0.338 1.00 0.00 H new ATOM 0 HB THR A 95 -5.041 0.139 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.753 0.392 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.780 -1.629 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.187 -2.307 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.164 -2.370 1.593 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.682 -2.365 -1.830 1.00 0.00 N ATOM 1376 CA VAL A 96 -2.955 -3.149 -3.029 1.00 0.00 C ATOM 1377 C VAL A 96 -3.704 -4.432 -2.686 1.00 0.00 C ATOM 1378 O VAL A 96 -3.190 -5.292 -1.971 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.655 -3.509 -3.773 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -1.967 -4.233 -5.073 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -0.828 -2.259 -4.034 1.00 0.00 C ATOM 0 H VAL A 96 -1.866 -2.673 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.576 -2.531 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.070 -4.179 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.037 -4.479 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.516 -5.150 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.573 -3.590 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.087 -2.531 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.404 -1.563 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.574 -1.786 -3.085 1.00 0.00 H new ATOM 1391 N LYS A 97 -4.921 -4.556 -3.203 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.742 -5.735 -2.955 1.00 0.00 C ATOM 1393 C LYS A 97 -5.510 -6.795 -4.027 1.00 0.00 C ATOM 1394 O LYS A 97 -5.717 -6.546 -5.215 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.223 -5.352 -2.915 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.705 -4.929 -1.538 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.097 -4.323 -1.595 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.361 -3.417 -0.403 1.00 0.00 C ATOM 1399 NZ LYS A 97 -10.580 -2.584 -0.597 1.00 0.00 N ATOM 0 H LYS A 97 -5.361 -3.854 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.454 -6.150 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.398 -4.538 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.818 -6.200 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.710 -5.792 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.009 -4.205 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.209 -3.754 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.841 -5.119 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.475 -4.023 0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.500 -2.768 -0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.725 -1.981 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.462 -1.986 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.406 -3.202 -0.725 1.00 0.00 H new ATOM 1413 N ILE A 98 -5.081 -7.978 -3.599 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.823 -9.076 -4.523 1.00 0.00 C ATOM 1415 C ILE A 98 -5.982 -10.067 -4.535 1.00 0.00 C ATOM 1416 O ILE A 98 -6.490 -10.456 -3.483 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.526 -9.823 -4.161 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.348 -8.848 -4.105 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.255 -10.932 -5.168 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.037 -8.199 -5.435 1.00 0.00 C ATOM 0 H ILE A 98 -4.905 -8.200 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.714 -8.636 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.647 -10.274 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.565 -8.071 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.464 -9.379 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.335 -11.451 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.085 -11.639 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.151 -10.502 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.191 -7.521 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.788 -8.968 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.907 -7.639 -5.779 1.00 0.00 H new ATOM 1432 N SER A 99 -6.393 -10.474 -5.731 1.00 0.00 N ATOM 1433 CA SER A 99 -7.494 -11.419 -5.881 1.00 0.00 C ATOM 1434 C SER A 99 -7.050 -12.832 -5.513 1.00 0.00 C ATOM 1435 O SER A 99 -7.520 -13.407 -4.533 1.00 0.00 O ATOM 1436 CB SER A 99 -8.023 -11.396 -7.316 1.00 0.00 C ATOM 1437 OG SER A 99 -8.463 -10.097 -7.676 1.00 0.00 O ATOM 0 H SER A 99 -5.980 -10.164 -6.611 1.00 0.00 H new ATOM 0 HA SER A 99 -8.293 -11.119 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.240 -11.721 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.847 -12.103 -7.415 1.00 0.00 H new ATOM 0 HG SER A 99 -8.795 -10.108 -8.598 1.00 0.00 H new ATOM 1443 N GLY A 100 -6.139 -13.385 -6.309 1.00 0.00 N ATOM 1444 CA GLY A 100 -5.646 -14.726 -6.052 1.00 0.00 C ATOM 1445 C GLY A 100 -6.502 -15.793 -6.706 1.00 0.00 C ATOM 1446 O GLY A 100 -6.966 -15.621 -7.832 1.00 0.00 O ATOM 0 H GLY A 100 -5.734 -12.929 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.623 -14.810 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.615 -14.898 -4.976 1.00 0.00 H new ATOM 1450 N GLU A 101 -6.709 -16.898 -5.997 1.00 0.00 N ATOM 1451 CA GLU A 101 -7.512 -17.999 -6.517 1.00 0.00 C ATOM 1452 C GLU A 101 -8.698 -17.473 -7.321 1.00 0.00 C ATOM 1453 O GLU A 101 -9.748 -17.156 -6.764 1.00 0.00 O ATOM 1454 CB GLU A 101 -8.010 -18.882 -5.371 1.00 0.00 C ATOM 1455 CG GLU A 101 -6.894 -19.572 -4.606 1.00 0.00 C ATOM 1456 CD GLU A 101 -7.406 -20.659 -3.681 1.00 0.00 C ATOM 1457 OE1 GLU A 101 -8.547 -20.532 -3.190 1.00 0.00 O ATOM 1458 OE2 GLU A 101 -6.665 -21.638 -3.449 1.00 0.00 O ATOM 0 H GLU A 101 -6.332 -17.055 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.882 -18.595 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.590 -18.272 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.685 -19.638 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.188 -20.006 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.347 -18.832 -4.022 1.00 0.00 H new ATOM 1465 N GLY A 102 -8.522 -17.384 -8.636 1.00 0.00 N ATOM 1466 CA GLY A 102 -9.584 -16.896 -9.496 1.00 0.00 C ATOM 1467 C GLY A 102 -9.333 -17.203 -10.959 1.00 0.00 C ATOM 1468 O GLY A 102 -10.184 -17.783 -11.633 1.00 0.00 O ATOM 0 H GLY A 102 -7.662 -17.641 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.529 -17.345 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.686 -15.819 -9.366 1.00 0.00 H new ATOM 1472 N ARG A 103 -8.162 -16.813 -11.451 1.00 0.00 N ATOM 1473 CA ARG A 103 -7.803 -17.047 -12.845 1.00 0.00 C ATOM 1474 C ARG A 103 -8.055 -18.500 -13.234 1.00 0.00 C ATOM 1475 O ARG A 103 -7.316 -19.399 -12.832 1.00 0.00 O ATOM 1476 CB ARG A 103 -6.334 -16.692 -13.082 1.00 0.00 C ATOM 1477 CG ARG A 103 -6.037 -16.241 -14.503 1.00 0.00 C ATOM 1478 CD ARG A 103 -4.552 -16.331 -14.817 1.00 0.00 C ATOM 1479 NE ARG A 103 -4.162 -17.675 -15.234 1.00 0.00 N ATOM 1480 CZ ARG A 103 -3.062 -17.937 -15.931 1.00 0.00 C ATOM 1481 NH1 ARG A 103 -2.248 -16.953 -16.287 1.00 0.00 N ATOM 1482 NH2 ARG A 103 -2.774 -19.186 -16.274 1.00 0.00 N ATOM 0 H ARG A 103 -7.446 -16.334 -10.906 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.429 -16.408 -13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.044 -15.901 -12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.717 -17.560 -12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.597 -16.858 -15.206 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.377 -15.214 -14.639 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.304 -15.620 -15.606 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.977 -16.043 -13.937 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.767 -18.455 -14.976 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.466 -15.991 -16.026 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.404 -17.158 -16.822 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.398 -19.946 -16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.929 -19.386 -16.809 1.00 0.00 H new ATOM 1496 N VAL A 104 -9.104 -18.724 -14.019 1.00 0.00 N ATOM 1497 CA VAL A 104 -9.454 -20.068 -14.463 1.00 0.00 C ATOM 1498 C VAL A 104 -8.370 -20.648 -15.364 1.00 0.00 C ATOM 1499 O VAL A 104 -7.688 -19.918 -16.084 1.00 0.00 O ATOM 1500 CB VAL A 104 -10.795 -20.078 -15.220 1.00 0.00 C ATOM 1501 CG1 VAL A 104 -11.945 -19.770 -14.273 1.00 0.00 C ATOM 1502 CG2 VAL A 104 -10.763 -19.086 -16.373 1.00 0.00 C ATOM 0 H VAL A 104 -9.726 -17.992 -14.361 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.546 -20.683 -13.568 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.952 -21.075 -15.632 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.884 -19.781 -14.826 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.979 -20.522 -13.485 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.797 -18.786 -13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.719 -19.106 -16.897 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.583 -18.083 -15.985 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.965 -19.357 -17.064 1.00 0.00 H new ATOM 1512 N LYS A 105 -8.216 -21.967 -15.321 1.00 0.00 N ATOM 1513 CA LYS A 105 -7.216 -22.648 -16.135 1.00 0.00 C ATOM 1514 C LYS A 105 -7.880 -23.536 -17.183 1.00 0.00 C ATOM 1515 O LYS A 105 -9.070 -23.838 -17.091 1.00 0.00 O ATOM 1516 CB LYS A 105 -6.294 -23.490 -15.249 1.00 0.00 C ATOM 1517 CG LYS A 105 -7.022 -24.569 -14.467 1.00 0.00 C ATOM 1518 CD LYS A 105 -7.105 -25.867 -15.253 1.00 0.00 C ATOM 1519 CE LYS A 105 -8.101 -26.833 -14.630 1.00 0.00 C ATOM 1520 NZ LYS A 105 -9.495 -26.556 -15.072 1.00 0.00 N ATOM 0 H LYS A 105 -8.771 -22.586 -14.731 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.624 -21.890 -16.648 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.531 -23.957 -15.873 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.776 -22.833 -14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.506 -24.746 -13.523 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.027 -24.226 -14.221 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.398 -25.653 -16.281 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.121 -26.333 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.832 -27.855 -14.898 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.044 -26.763 -13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.143 -27.236 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.762 -25.590 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.556 -26.648 -16.106 1.00 0.00 H new ATOM 1534 N SER A 106 -7.103 -23.951 -18.179 1.00 0.00 N ATOM 1535 CA SER A 106 -7.617 -24.802 -19.245 1.00 0.00 C ATOM 1536 C SER A 106 -6.731 -26.030 -19.435 1.00 0.00 C ATOM 1537 O SER A 106 -5.573 -25.917 -19.836 1.00 0.00 O ATOM 1538 CB SER A 106 -7.707 -24.017 -20.555 1.00 0.00 C ATOM 1539 OG SER A 106 -6.418 -23.667 -21.030 1.00 0.00 O ATOM 0 H SER A 106 -6.116 -23.711 -18.269 1.00 0.00 H new ATOM 0 HA SER A 106 -8.615 -25.136 -18.960 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.225 -24.614 -21.306 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.299 -23.115 -20.402 1.00 0.00 H new ATOM 0 HG SER A 106 -5.742 -24.209 -20.571 1.00 0.00 H new ATOM 1545 N GLY A 107 -7.285 -27.203 -19.144 1.00 0.00 N ATOM 1546 CA GLY A 107 -6.532 -28.435 -19.289 1.00 0.00 C ATOM 1547 C GLY A 107 -6.548 -29.275 -18.027 1.00 0.00 C ATOM 1548 O GLY A 107 -5.628 -29.225 -17.211 1.00 0.00 O ATOM 0 H GLY A 107 -8.242 -27.322 -18.811 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.946 -29.015 -20.114 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.501 -28.198 -19.552 1.00 0.00 H new ATOM 1552 N PRO A 108 -7.615 -30.069 -17.854 1.00 0.00 N ATOM 1553 CA PRO A 108 -7.773 -30.938 -16.684 1.00 0.00 C ATOM 1554 C PRO A 108 -6.787 -32.101 -16.688 1.00 0.00 C ATOM 1555 O PRO A 108 -6.406 -32.600 -17.746 1.00 0.00 O ATOM 1556 CB PRO A 108 -9.208 -31.454 -16.817 1.00 0.00 C ATOM 1557 CG PRO A 108 -9.506 -31.374 -18.274 1.00 0.00 C ATOM 1558 CD PRO A 108 -8.749 -30.180 -18.786 1.00 0.00 C ATOM 0 HA PRO A 108 -7.581 -30.406 -15.752 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -9.296 -32.477 -16.450 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.903 -30.846 -16.237 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -9.193 -32.284 -18.787 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.576 -31.262 -18.448 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -8.413 -30.327 -19.812 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.365 -29.281 -18.779 1.00 0.00 H new ATOM 1566 N SER A 109 -6.377 -32.527 -15.497 1.00 0.00 N ATOM 1567 CA SER A 109 -5.432 -33.630 -15.364 1.00 0.00 C ATOM 1568 C SER A 109 -5.986 -34.901 -16.001 1.00 0.00 C ATOM 1569 O SER A 109 -7.003 -35.437 -15.561 1.00 0.00 O ATOM 1570 CB SER A 109 -5.115 -33.882 -13.889 1.00 0.00 C ATOM 1571 OG SER A 109 -3.910 -34.614 -13.744 1.00 0.00 O ATOM 0 H SER A 109 -6.684 -32.125 -14.611 1.00 0.00 H new ATOM 0 HA SER A 109 -4.515 -33.354 -15.884 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.031 -32.930 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.935 -34.431 -13.426 1.00 0.00 H new ATOM 0 HG SER A 109 -3.729 -34.761 -12.792 1.00 0.00 H new ATOM 1577 N SER A 110 -5.309 -35.377 -17.041 1.00 0.00 N ATOM 1578 CA SER A 110 -5.735 -36.583 -17.743 1.00 0.00 C ATOM 1579 C SER A 110 -5.564 -37.814 -16.858 1.00 0.00 C ATOM 1580 O SER A 110 -6.446 -38.670 -16.790 1.00 0.00 O ATOM 1581 CB SER A 110 -4.935 -36.755 -19.036 1.00 0.00 C ATOM 1582 OG SER A 110 -5.592 -37.638 -19.928 1.00 0.00 O ATOM 0 H SER A 110 -4.464 -34.947 -17.416 1.00 0.00 H new ATOM 0 HA SER A 110 -6.792 -36.477 -17.989 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.798 -35.785 -19.514 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.942 -37.139 -18.804 1.00 0.00 H new ATOM 0 HG SER A 110 -5.062 -37.730 -20.747 1.00 0.00 H new ATOM 1588 N GLY A 111 -4.422 -37.896 -16.182 1.00 0.00 N ATOM 1589 CA GLY A 111 -4.156 -39.026 -15.311 1.00 0.00 C ATOM 1590 C GLY A 111 -3.823 -40.288 -16.083 1.00 0.00 C ATOM 1591 O GLY A 111 -4.521 -41.295 -15.970 1.00 0.00 O ATOM 0 H GLY A 111 -3.677 -37.201 -16.222 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.328 -38.781 -14.646 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.027 -39.208 -14.681 1.00 0.00 H new TER 1595 GLY A 111