USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 829 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 59 SER OG : rot 108:sc= 0.811 USER MOD Set 1.2: A 94 HIS : +bothHN:sc= -0.235 K(o=0.58,f=-8.7!) USER MOD Set 2.1: A 37 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 52 HIS : no HE2:sc= 0.649 K(o=-1.8,f=-5!) USER MOD Set 2.3: A 77 ASN : amide:sc= -2.42! X(o=-1.8!,f=-1.3) USER MOD Set 3.1: A 23 THR OG1 : rot 17:sc= -1.66! USER MOD Set 3.2: A 26 THR OG1 : rot 130:sc= 1.03 USER MOD Set 3.3: A 39 ASN : amide:sc= 0.687 K(o=3.6,f=-0.42) USER MOD Set 3.4: A 47 THR OG1 : rot 41:sc= 1.52 USER MOD Set 3.5: A 70 LYS NZ :NH3+ -157:sc= 0.727 (180deg=0) USER MOD Set 3.6: A 74 HIS : no HD1:sc= 0.76 K(o=3.6,f=-4.4!) USER MOD Set 3.7: A 75 TYR OH : rot 30:sc= 0.55 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0221 (180deg=-0.249) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00234 X(o=-0.0023,f=-0.0023) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc=-0.00954 (180deg=-0.245) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.097 K(o=-0.097,f=-0.89) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0214) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 72:sc= 0.0601 USER MOD Single : A 67 SER OG : rot -86:sc= 1.21 USER MOD Single : A 71 THR OG1 : rot -165:sc= 1.24 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -4.43 X(o=-4.4,f=-4.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 150:sc= -2.36! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.554 -8.263 8.718 1.00 0.00 N ATOM 21 CA TYR A 2 -7.589 -7.352 8.126 1.00 0.00 C ATOM 22 C TYR A 2 -7.991 -7.058 6.696 1.00 0.00 C ATOM 23 O TYR A 2 -9.075 -7.447 6.259 1.00 0.00 O ATOM 24 CB TYR A 2 -6.179 -7.949 8.147 1.00 0.00 C ATOM 25 CG TYR A 2 -5.580 -8.030 9.527 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.902 -9.071 10.384 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.702 -7.054 9.977 1.00 0.00 C ATOM 28 CE1 TYR A 2 -5.370 -9.139 11.652 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.161 -7.117 11.244 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.500 -8.161 12.077 1.00 0.00 C ATOM 31 OH TYR A 2 -3.977 -8.220 13.343 1.00 0.00 O ATOM 0 HA TYR A 2 -7.579 -6.432 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.210 -8.949 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.529 -7.347 7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.582 -9.842 10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.439 -6.234 9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.634 -9.955 12.309 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.476 -6.353 11.581 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.380 -7.456 13.486 1.00 0.00 H new ATOM 41 N LEU A 3 -7.130 -6.376 5.972 1.00 0.00 N ATOM 42 CA LEU A 3 -7.373 -6.110 4.569 1.00 0.00 C ATOM 43 C LEU A 3 -6.556 -7.058 3.712 1.00 0.00 C ATOM 44 O LEU A 3 -5.325 -7.055 3.770 1.00 0.00 O ATOM 45 CB LEU A 3 -7.039 -4.658 4.221 1.00 0.00 C ATOM 46 CG LEU A 3 -7.929 -3.613 4.893 1.00 0.00 C ATOM 47 CD1 LEU A 3 -7.554 -2.216 4.425 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.394 -3.900 4.602 1.00 0.00 C ATOM 0 H LEU A 3 -6.255 -5.995 6.331 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.432 -6.271 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.003 -4.463 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.110 -4.533 3.140 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.775 -3.666 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.197 -1.484 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.514 -2.013 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.681 -2.148 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.016 -3.147 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.563 -3.872 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.654 -4.887 4.984 1.00 0.00 H new ATOM 60 N ARG A 4 -7.246 -7.896 2.950 1.00 0.00 N ATOM 61 CA ARG A 4 -6.590 -8.798 2.016 1.00 0.00 C ATOM 62 C ARG A 4 -5.809 -7.990 0.987 1.00 0.00 C ATOM 63 O ARG A 4 -6.142 -6.831 0.731 1.00 0.00 O ATOM 64 CB ARG A 4 -7.624 -9.659 1.286 1.00 0.00 C ATOM 65 CG ARG A 4 -8.566 -10.419 2.205 1.00 0.00 C ATOM 66 CD ARG A 4 -9.567 -11.240 1.405 1.00 0.00 C ATOM 67 NE ARG A 4 -10.298 -10.424 0.432 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.841 -10.906 -0.688 1.00 0.00 C ATOM 69 NH1 ARG A 4 -10.782 -12.207 -0.953 1.00 0.00 N ATOM 70 NH2 ARG A 4 -11.450 -10.086 -1.536 1.00 0.00 N ATOM 0 H ARG A 4 -8.263 -7.969 2.961 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.915 -9.444 2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.214 -9.019 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.101 -10.373 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.991 -11.076 2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.097 -9.717 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.043 -12.042 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.275 -11.712 2.086 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.398 -9.427 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.321 -12.840 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.198 -12.572 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.503 -9.088 -1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.865 -10.454 -2.392 1.00 0.00 H new ATOM 84 N PRO A 5 -4.777 -8.585 0.370 1.00 0.00 N ATOM 85 CA PRO A 5 -4.030 -7.929 -0.706 1.00 0.00 C ATOM 86 C PRO A 5 -4.974 -7.493 -1.828 1.00 0.00 C ATOM 87 O PRO A 5 -4.766 -6.469 -2.482 1.00 0.00 O ATOM 88 CB PRO A 5 -3.051 -9.015 -1.191 1.00 0.00 C ATOM 89 CG PRO A 5 -3.559 -10.295 -0.614 1.00 0.00 C ATOM 90 CD PRO A 5 -4.259 -9.925 0.662 1.00 0.00 C ATOM 0 HA PRO A 5 -3.518 -7.024 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.022 -9.059 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.036 -8.808 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.242 -10.790 -1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.740 -10.989 -0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.059 -10.625 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.576 -9.919 1.511 1.00 0.00 H new ATOM 98 N ASP A 6 -6.029 -8.283 -2.006 1.00 0.00 N ATOM 99 CA ASP A 6 -7.106 -7.982 -2.944 1.00 0.00 C ATOM 100 C ASP A 6 -7.779 -6.663 -2.585 1.00 0.00 C ATOM 101 O ASP A 6 -8.037 -5.826 -3.448 1.00 0.00 O ATOM 102 CB ASP A 6 -8.158 -9.094 -2.906 1.00 0.00 C ATOM 103 CG ASP A 6 -7.565 -10.480 -3.069 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.840 -10.934 -2.159 1.00 0.00 O ATOM 105 OD2 ASP A 6 -7.825 -11.124 -4.105 1.00 0.00 O ATOM 0 H ASP A 6 -6.162 -9.158 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.674 -7.908 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.696 -9.045 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.888 -8.922 -3.697 1.00 0.00 H new ATOM 110 N GLU A 7 -8.065 -6.491 -1.297 1.00 0.00 N ATOM 111 CA GLU A 7 -8.772 -5.313 -0.811 1.00 0.00 C ATOM 112 C GLU A 7 -7.881 -4.080 -0.886 1.00 0.00 C ATOM 113 O GLU A 7 -8.341 -2.996 -1.245 1.00 0.00 O ATOM 114 CB GLU A 7 -9.235 -5.524 0.632 1.00 0.00 C ATOM 115 CG GLU A 7 -10.127 -6.739 0.819 1.00 0.00 C ATOM 116 CD GLU A 7 -11.401 -6.667 0.002 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.274 -5.839 0.328 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.532 -7.443 -0.971 1.00 0.00 O ATOM 0 H GLU A 7 -7.815 -7.159 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.643 -5.158 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.359 -5.626 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.772 -4.636 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.573 -7.636 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.383 -6.836 1.874 1.00 0.00 H new ATOM 125 N VAL A 8 -6.606 -4.257 -0.550 1.00 0.00 N ATOM 126 CA VAL A 8 -5.643 -3.161 -0.595 1.00 0.00 C ATOM 127 C VAL A 8 -5.549 -2.587 -2.006 1.00 0.00 C ATOM 128 O VAL A 8 -5.732 -1.385 -2.212 1.00 0.00 O ATOM 129 CB VAL A 8 -4.241 -3.617 -0.130 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.251 -2.460 -0.178 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.306 -4.206 1.273 1.00 0.00 C ATOM 0 H VAL A 8 -6.216 -5.148 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.999 -2.390 0.088 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.893 -4.392 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.272 -2.805 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.177 -2.086 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.595 -1.660 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.309 -4.521 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.680 -3.453 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.975 -5.066 1.276 1.00 0.00 H new ATOM 141 N ALA A 9 -5.287 -3.458 -2.975 1.00 0.00 N ATOM 142 CA ALA A 9 -5.195 -3.047 -4.372 1.00 0.00 C ATOM 143 C ALA A 9 -6.508 -2.431 -4.848 1.00 0.00 C ATOM 144 O ALA A 9 -6.509 -1.468 -5.615 1.00 0.00 O ATOM 145 CB ALA A 9 -4.816 -4.233 -5.247 1.00 0.00 C ATOM 0 H ALA A 9 -5.134 -4.454 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.417 -2.288 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.751 -3.912 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.851 -4.627 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.574 -5.011 -5.154 1.00 0.00 H new ATOM 151 N ARG A 10 -7.615 -2.989 -4.370 1.00 0.00 N ATOM 152 CA ARG A 10 -8.948 -2.519 -4.729 1.00 0.00 C ATOM 153 C ARG A 10 -9.124 -1.041 -4.380 1.00 0.00 C ATOM 154 O ARG A 10 -9.563 -0.242 -5.211 1.00 0.00 O ATOM 155 CB ARG A 10 -10.005 -3.349 -3.993 1.00 0.00 C ATOM 156 CG ARG A 10 -11.437 -3.024 -4.388 1.00 0.00 C ATOM 157 CD ARG A 10 -11.842 -3.709 -5.686 1.00 0.00 C ATOM 158 NE ARG A 10 -11.020 -3.299 -6.826 1.00 0.00 N ATOM 159 CZ ARG A 10 -11.516 -2.806 -7.958 1.00 0.00 C ATOM 160 NH1 ARG A 10 -12.819 -2.597 -8.085 1.00 0.00 N ATOM 161 NH2 ARG A 10 -10.708 -2.508 -8.960 1.00 0.00 N ATOM 0 H ARG A 10 -7.614 -3.778 -3.724 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.071 -2.635 -5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.818 -4.406 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.891 -3.193 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.112 -3.333 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.546 -1.945 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.767 -4.789 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.887 -3.485 -5.899 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.008 -3.397 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.448 -2.814 -7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.192 -2.219 -8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.703 -2.656 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.089 -2.130 -9.827 1.00 0.00 H new ATOM 175 N VAL A 11 -8.776 -0.685 -3.149 1.00 0.00 N ATOM 176 CA VAL A 11 -8.925 0.689 -2.679 1.00 0.00 C ATOM 177 C VAL A 11 -7.953 1.621 -3.397 1.00 0.00 C ATOM 178 O VAL A 11 -8.294 2.762 -3.701 1.00 0.00 O ATOM 179 CB VAL A 11 -8.727 0.792 -1.149 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.826 2.238 -0.676 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.751 -0.070 -0.428 1.00 0.00 C ATOM 0 H VAL A 11 -8.389 -1.328 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.944 0.999 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.727 0.429 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.683 2.278 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.057 2.835 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.809 2.636 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.601 0.011 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.755 0.270 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.632 -1.109 -0.734 1.00 0.00 H new ATOM 191 N LEU A 12 -6.753 1.127 -3.685 1.00 0.00 N ATOM 192 CA LEU A 12 -5.760 1.915 -4.408 1.00 0.00 C ATOM 193 C LEU A 12 -6.297 2.336 -5.773 1.00 0.00 C ATOM 194 O LEU A 12 -6.178 3.497 -6.164 1.00 0.00 O ATOM 195 CB LEU A 12 -4.461 1.127 -4.578 1.00 0.00 C ATOM 196 CG LEU A 12 -3.715 0.812 -3.279 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.476 -0.018 -3.567 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.335 2.093 -2.551 1.00 0.00 C ATOM 0 H LEU A 12 -6.445 0.189 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.550 2.810 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.688 0.189 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.796 1.690 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.380 0.236 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.957 -0.233 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.768 -0.954 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.813 0.536 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.806 1.845 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.690 2.697 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.237 2.656 -2.311 1.00 0.00 H new ATOM 210 N GLU A 13 -6.902 1.388 -6.484 1.00 0.00 N ATOM 211 CA GLU A 13 -7.497 1.661 -7.783 1.00 0.00 C ATOM 212 C GLU A 13 -8.594 2.715 -7.670 1.00 0.00 C ATOM 213 O GLU A 13 -8.731 3.581 -8.537 1.00 0.00 O ATOM 214 CB GLU A 13 -8.074 0.378 -8.370 1.00 0.00 C ATOM 215 CG GLU A 13 -7.033 -0.684 -8.663 1.00 0.00 C ATOM 216 CD GLU A 13 -7.631 -1.901 -9.334 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.086 -2.818 -8.619 1.00 0.00 O ATOM 218 OE2 GLU A 13 -7.672 -1.938 -10.583 1.00 0.00 O ATOM 0 H GLU A 13 -6.992 0.419 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.718 2.044 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.809 -0.029 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.604 0.618 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.257 -0.263 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.551 -0.984 -7.733 1.00 0.00 H new ATOM 225 N LYS A 14 -9.371 2.631 -6.599 1.00 0.00 N ATOM 226 CA LYS A 14 -10.452 3.575 -6.354 1.00 0.00 C ATOM 227 C LYS A 14 -9.908 4.947 -5.968 1.00 0.00 C ATOM 228 O LYS A 14 -10.574 5.967 -6.152 1.00 0.00 O ATOM 229 CB LYS A 14 -11.379 3.047 -5.257 1.00 0.00 C ATOM 230 CG LYS A 14 -12.641 2.395 -5.795 1.00 0.00 C ATOM 231 CD LYS A 14 -12.330 1.149 -6.611 1.00 0.00 C ATOM 232 CE LYS A 14 -13.537 0.702 -7.418 1.00 0.00 C ATOM 233 NZ LYS A 14 -13.837 1.647 -8.528 1.00 0.00 N ATOM 0 H LYS A 14 -9.271 1.913 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.020 3.683 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.836 2.323 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.657 3.870 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.296 2.131 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.183 3.109 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.495 1.350 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.017 0.345 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.354 -0.292 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.404 0.623 -6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.462 1.184 -9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.308 2.492 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.951 1.926 -8.995 1.00 0.00 H new ATOM 247 N ALA A 15 -8.693 4.962 -5.442 1.00 0.00 N ATOM 248 CA ALA A 15 -8.043 6.199 -5.030 1.00 0.00 C ATOM 249 C ALA A 15 -7.261 6.833 -6.180 1.00 0.00 C ATOM 250 O ALA A 15 -6.360 7.638 -5.954 1.00 0.00 O ATOM 251 CB ALA A 15 -7.125 5.936 -3.847 1.00 0.00 C ATOM 0 H ALA A 15 -8.132 4.124 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.819 6.903 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.644 6.866 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.708 5.543 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.364 5.209 -4.131 1.00 0.00 H new ATOM 257 N GLY A 16 -7.591 6.455 -7.410 1.00 0.00 N ATOM 258 CA GLY A 16 -7.010 7.111 -8.571 1.00 0.00 C ATOM 259 C GLY A 16 -5.652 6.567 -8.960 1.00 0.00 C ATOM 260 O GLY A 16 -5.025 7.064 -9.898 1.00 0.00 O ATOM 0 H GLY A 16 -8.250 5.707 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.690 7.004 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.920 8.178 -8.367 1.00 0.00 H new ATOM 264 N PHE A 17 -5.192 5.552 -8.253 1.00 0.00 N ATOM 265 CA PHE A 17 -3.874 4.991 -8.503 1.00 0.00 C ATOM 266 C PHE A 17 -3.853 4.131 -9.760 1.00 0.00 C ATOM 267 O PHE A 17 -4.887 3.638 -10.212 1.00 0.00 O ATOM 268 CB PHE A 17 -3.418 4.155 -7.316 1.00 0.00 C ATOM 269 CG PHE A 17 -2.890 4.954 -6.157 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.749 5.639 -5.312 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.528 5.008 -5.907 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.259 6.365 -4.243 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.032 5.734 -4.840 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.899 6.412 -4.007 1.00 0.00 C ATOM 0 H PHE A 17 -5.710 5.098 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.192 5.829 -8.649 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.256 3.549 -6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.642 3.466 -7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.814 5.605 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.846 4.476 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.939 6.895 -3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.032 5.771 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.514 6.978 -3.172 1.00 0.00 H new ATOM 284 N THR A 18 -2.663 3.963 -10.316 1.00 0.00 N ATOM 285 CA THR A 18 -2.459 3.115 -11.478 1.00 0.00 C ATOM 286 C THR A 18 -1.360 2.094 -11.196 1.00 0.00 C ATOM 287 O THR A 18 -0.480 2.339 -10.368 1.00 0.00 O ATOM 288 CB THR A 18 -2.089 3.954 -12.719 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.173 5.002 -12.359 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.334 4.553 -13.362 1.00 0.00 C ATOM 0 H THR A 18 -1.813 4.411 -9.974 1.00 0.00 H new ATOM 0 HA THR A 18 -3.393 2.592 -11.684 1.00 0.00 H new ATOM 0 HB THR A 18 -1.610 3.294 -13.442 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.945 5.525 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.046 5.140 -14.234 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.006 3.752 -13.669 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.841 5.197 -12.643 1.00 0.00 H new ATOM 298 N VAL A 19 -1.419 0.945 -11.857 1.00 0.00 N ATOM 299 CA VAL A 19 -0.418 -0.094 -11.656 1.00 0.00 C ATOM 300 C VAL A 19 0.904 0.289 -12.330 1.00 0.00 C ATOM 301 O VAL A 19 0.923 0.783 -13.460 1.00 0.00 O ATOM 302 CB VAL A 19 -0.907 -1.470 -12.181 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.043 -1.474 -13.697 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.018 -2.587 -11.722 1.00 0.00 C ATOM 0 H VAL A 19 -2.145 0.710 -12.533 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.254 -0.184 -10.582 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.896 -1.648 -11.759 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.387 -2.453 -14.029 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.764 -0.714 -14.000 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.075 -1.257 -14.150 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.347 -3.541 -12.103 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.024 -2.405 -12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.041 -2.616 -10.633 1.00 0.00 H new ATOM 314 N ASP A 20 2.003 0.082 -11.619 1.00 0.00 N ATOM 315 CA ASP A 20 3.328 0.363 -12.155 1.00 0.00 C ATOM 316 C ASP A 20 3.971 -0.918 -12.653 1.00 0.00 C ATOM 317 O ASP A 20 4.229 -1.077 -13.844 1.00 0.00 O ATOM 318 CB ASP A 20 4.228 1.000 -11.094 1.00 0.00 C ATOM 319 CG ASP A 20 5.624 1.267 -11.619 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.771 2.117 -12.526 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.577 0.628 -11.135 1.00 0.00 O ATOM 0 H ASP A 20 2.003 -0.281 -10.666 1.00 0.00 H new ATOM 0 HA ASP A 20 3.213 1.063 -12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.783 1.936 -10.756 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.287 0.343 -10.226 1.00 0.00 H new ATOM 326 N VAL A 21 4.214 -1.833 -11.733 1.00 0.00 N ATOM 327 CA VAL A 21 4.855 -3.089 -12.066 1.00 0.00 C ATOM 328 C VAL A 21 4.036 -4.266 -11.551 1.00 0.00 C ATOM 329 O VAL A 21 3.942 -4.514 -10.347 1.00 0.00 O ATOM 330 CB VAL A 21 6.307 -3.148 -11.521 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.362 -2.819 -10.033 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.931 -4.508 -11.794 1.00 0.00 C ATOM 0 H VAL A 21 3.976 -1.728 -10.747 1.00 0.00 H new ATOM 0 HA VAL A 21 4.908 -3.156 -13.153 1.00 0.00 H new ATOM 0 HB VAL A 21 6.886 -2.390 -12.048 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.394 -2.870 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.973 -1.814 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.758 -3.537 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.948 -4.526 -11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.341 -5.284 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.951 -4.690 -12.869 1.00 0.00 H new ATOM 342 N VAL A 22 3.411 -4.977 -12.470 1.00 0.00 N ATOM 343 CA VAL A 22 2.622 -6.137 -12.109 1.00 0.00 C ATOM 344 C VAL A 22 3.499 -7.390 -12.086 1.00 0.00 C ATOM 345 O VAL A 22 4.047 -7.813 -13.107 1.00 0.00 O ATOM 346 CB VAL A 22 1.410 -6.332 -13.056 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.846 -6.381 -14.513 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.630 -7.587 -12.684 1.00 0.00 C ATOM 0 H VAL A 22 3.435 -4.772 -13.469 1.00 0.00 H new ATOM 0 HA VAL A 22 2.224 -5.966 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 22 0.753 -5.470 -12.935 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.972 -6.519 -15.150 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.343 -5.447 -14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.536 -7.212 -14.659 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.216 -7.704 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.282 -8.457 -12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.266 -7.499 -11.661 1.00 0.00 H new ATOM 358 N THR A 23 3.666 -7.950 -10.902 1.00 0.00 N ATOM 359 CA THR A 23 4.427 -9.175 -10.737 1.00 0.00 C ATOM 360 C THR A 23 3.574 -10.223 -10.038 1.00 0.00 C ATOM 361 O THR A 23 2.585 -9.894 -9.376 1.00 0.00 O ATOM 362 CB THR A 23 5.741 -8.937 -9.957 1.00 0.00 C ATOM 363 OG1 THR A 23 5.485 -8.212 -8.752 1.00 0.00 O ATOM 364 CG2 THR A 23 6.748 -8.171 -10.806 1.00 0.00 C ATOM 0 H THR A 23 3.282 -7.573 -10.035 1.00 0.00 H new ATOM 0 HA THR A 23 4.701 -9.535 -11.728 1.00 0.00 H new ATOM 0 HB THR A 23 6.160 -9.912 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.528 -8.250 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.663 -8.017 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.974 -8.743 -11.706 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.328 -7.205 -11.086 1.00 0.00 H new ATOM 372 N ASN A 24 3.956 -11.477 -10.180 1.00 0.00 N ATOM 373 CA ASN A 24 3.152 -12.581 -9.681 1.00 0.00 C ATOM 374 C ASN A 24 3.202 -12.659 -8.156 1.00 0.00 C ATOM 375 O ASN A 24 2.455 -13.415 -7.546 1.00 0.00 O ATOM 376 CB ASN A 24 3.632 -13.895 -10.309 1.00 0.00 C ATOM 377 CG ASN A 24 2.649 -15.040 -10.129 1.00 0.00 C ATOM 378 OD1 ASN A 24 1.697 -15.180 -10.901 1.00 0.00 O ATOM 379 ND2 ASN A 24 2.887 -15.885 -9.140 1.00 0.00 N ATOM 0 H ASN A 24 4.822 -11.760 -10.639 1.00 0.00 H new ATOM 0 HA ASN A 24 2.114 -12.409 -9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.806 -13.739 -11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.589 -14.173 -9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.273 -16.686 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.685 -15.735 -8.522 1.00 0.00 H new ATOM 386 N LYS A 25 4.059 -11.850 -7.541 1.00 0.00 N ATOM 387 CA LYS A 25 4.217 -11.860 -6.095 1.00 0.00 C ATOM 388 C LYS A 25 3.917 -10.476 -5.528 1.00 0.00 C ATOM 389 O LYS A 25 3.805 -10.286 -4.316 1.00 0.00 O ATOM 390 CB LYS A 25 5.652 -12.278 -5.737 1.00 0.00 C ATOM 391 CG LYS A 25 5.938 -12.327 -4.242 1.00 0.00 C ATOM 392 CD LYS A 25 7.424 -12.486 -3.956 1.00 0.00 C ATOM 393 CE LYS A 25 7.939 -13.868 -4.327 1.00 0.00 C ATOM 394 NZ LYS A 25 7.321 -14.935 -3.496 1.00 0.00 N ATOM 0 H LYS A 25 4.655 -11.178 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 25 3.518 -12.575 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.849 -13.261 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.348 -11.582 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.573 -11.414 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.391 -13.157 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.981 -11.732 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.609 -12.304 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.731 -14.062 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.022 -13.896 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.879 -15.809 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.302 -14.633 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.349 -15.111 -3.823 1.00 0.00 H new ATOM 408 N THR A 26 3.761 -9.504 -6.412 1.00 0.00 N ATOM 409 CA THR A 26 3.710 -8.116 -5.996 1.00 0.00 C ATOM 410 C THR A 26 2.921 -7.250 -6.986 1.00 0.00 C ATOM 411 O THR A 26 3.121 -7.334 -8.198 1.00 0.00 O ATOM 412 CB THR A 26 5.148 -7.574 -5.872 1.00 0.00 C ATOM 413 OG1 THR A 26 5.883 -8.330 -4.899 1.00 0.00 O ATOM 414 CG2 THR A 26 5.159 -6.109 -5.497 1.00 0.00 C ATOM 0 H THR A 26 3.668 -9.651 -7.417 1.00 0.00 H new ATOM 0 HA THR A 26 3.198 -8.070 -5.035 1.00 0.00 H new ATOM 0 HB THR A 26 5.624 -7.678 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.739 -8.613 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.189 -5.761 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.639 -5.533 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.657 -5.975 -4.539 1.00 0.00 H new ATOM 422 N TYR A 27 2.020 -6.431 -6.470 1.00 0.00 N ATOM 423 CA TYR A 27 1.348 -5.442 -7.299 1.00 0.00 C ATOM 424 C TYR A 27 1.963 -4.069 -7.075 1.00 0.00 C ATOM 425 O TYR A 27 1.672 -3.409 -6.078 1.00 0.00 O ATOM 426 CB TYR A 27 -0.156 -5.378 -7.014 1.00 0.00 C ATOM 427 CG TYR A 27 -0.958 -6.513 -7.606 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.055 -6.673 -8.984 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.633 -7.410 -6.790 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.803 -7.698 -9.530 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.381 -8.438 -7.330 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.464 -8.578 -8.699 1.00 0.00 C ATOM 433 OH TYR A 27 -3.208 -9.600 -9.237 1.00 0.00 O ATOM 0 H TYR A 27 1.738 -6.430 -5.490 1.00 0.00 H new ATOM 0 HA TYR A 27 1.481 -5.746 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.308 -5.368 -5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.546 -4.436 -7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.538 -5.986 -9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.573 -7.303 -5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.870 -7.810 -10.602 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.899 -9.130 -6.682 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.607 -10.129 -8.515 1.00 0.00 H new ATOM 443 N GLY A 28 2.837 -3.662 -7.984 1.00 0.00 N ATOM 444 CA GLY A 28 3.409 -2.336 -7.915 1.00 0.00 C ATOM 445 C GLY A 28 2.387 -1.289 -8.291 1.00 0.00 C ATOM 446 O GLY A 28 1.804 -1.350 -9.370 1.00 0.00 O ATOM 0 H GLY A 28 3.160 -4.228 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.776 -2.146 -6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.267 -2.270 -8.584 1.00 0.00 H new ATOM 450 N TYR A 29 2.164 -0.339 -7.411 1.00 0.00 N ATOM 451 CA TYR A 29 1.108 0.637 -7.588 1.00 0.00 C ATOM 452 C TYR A 29 1.642 2.053 -7.424 1.00 0.00 C ATOM 453 O TYR A 29 2.474 2.309 -6.559 1.00 0.00 O ATOM 454 CB TYR A 29 -0.003 0.343 -6.584 1.00 0.00 C ATOM 455 CG TYR A 29 -1.173 -0.388 -7.200 1.00 0.00 C ATOM 456 CD1 TYR A 29 -2.161 0.300 -7.895 1.00 0.00 C ATOM 457 CD2 TYR A 29 -1.278 -1.769 -7.105 1.00 0.00 C ATOM 458 CE1 TYR A 29 -3.221 -0.370 -8.475 1.00 0.00 C ATOM 459 CE2 TYR A 29 -2.332 -2.445 -7.686 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.302 -1.742 -8.368 1.00 0.00 C ATOM 461 OH TYR A 29 -4.350 -2.414 -8.954 1.00 0.00 O ATOM 0 H TYR A 29 2.706 -0.220 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 29 0.708 0.564 -8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.402 -0.253 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.353 1.281 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.099 1.375 -7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.523 -2.323 -6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.982 0.178 -9.010 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.396 -3.520 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.257 -3.375 -8.786 1.00 0.00 H new ATOM 471 N ARG A 30 1.176 2.972 -8.261 1.00 0.00 N ATOM 472 CA ARG A 30 1.728 4.319 -8.266 1.00 0.00 C ATOM 473 C ARG A 30 0.697 5.391 -8.594 1.00 0.00 C ATOM 474 O ARG A 30 -0.340 5.129 -9.206 1.00 0.00 O ATOM 475 CB ARG A 30 2.854 4.421 -9.291 1.00 0.00 C ATOM 476 CG ARG A 30 2.423 4.066 -10.705 1.00 0.00 C ATOM 477 CD ARG A 30 3.411 4.595 -11.734 1.00 0.00 C ATOM 478 NE ARG A 30 3.550 3.703 -12.887 1.00 0.00 N ATOM 479 CZ ARG A 30 2.664 3.601 -13.886 1.00 0.00 C ATOM 480 NH1 ARG A 30 1.514 4.268 -13.845 1.00 0.00 N ATOM 481 NH2 ARG A 30 2.921 2.800 -14.915 1.00 0.00 N ATOM 0 H ARG A 30 0.428 2.812 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 30 2.092 4.496 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.249 5.437 -9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.668 3.761 -8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.340 2.983 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.434 4.480 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.084 5.577 -12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.385 4.729 -11.263 1.00 0.00 H new ATOM 0 HE ARG A 30 4.383 3.116 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.299 4.865 -13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.847 4.182 -14.612 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.790 2.266 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.249 2.719 -15.678 1.00 0.00 H new ATOM 495 N ARG A 31 1.011 6.601 -8.152 1.00 0.00 N ATOM 496 CA ARG A 31 0.365 7.815 -8.624 1.00 0.00 C ATOM 497 C ARG A 31 1.280 8.993 -8.326 1.00 0.00 C ATOM 498 O ARG A 31 1.410 9.420 -7.179 1.00 0.00 O ATOM 499 CB ARG A 31 -1.020 8.029 -7.998 1.00 0.00 C ATOM 500 CG ARG A 31 -1.712 9.280 -8.522 1.00 0.00 C ATOM 501 CD ARG A 31 -3.228 9.182 -8.436 1.00 0.00 C ATOM 502 NE ARG A 31 -3.731 9.198 -7.063 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.544 10.144 -6.586 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.787 11.242 -7.294 1.00 0.00 N ATOM 505 NH2 ARG A 31 -5.087 10.009 -5.383 1.00 0.00 N ATOM 0 H ARG A 31 1.730 6.768 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 31 0.199 7.724 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.645 7.160 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.918 8.101 -6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.373 10.145 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.419 9.447 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.671 10.011 -8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.554 8.264 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.445 8.446 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.352 11.366 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.409 11.960 -6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.884 9.182 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.708 10.732 -5.020 1.00 0.00 H new ATOM 519 N GLY A 32 1.944 9.485 -9.360 1.00 0.00 N ATOM 520 CA GLY A 32 2.948 10.511 -9.176 1.00 0.00 C ATOM 521 C GLY A 32 4.267 9.906 -8.744 1.00 0.00 C ATOM 522 O GLY A 32 4.676 8.871 -9.269 1.00 0.00 O ATOM 0 H GLY A 32 1.805 9.191 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.084 11.063 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.609 11.227 -8.427 1.00 0.00 H new ATOM 526 N GLU A 33 4.927 10.532 -7.779 1.00 0.00 N ATOM 527 CA GLU A 33 6.179 10.006 -7.241 1.00 0.00 C ATOM 528 C GLU A 33 5.881 9.049 -6.085 1.00 0.00 C ATOM 529 O GLU A 33 6.783 8.526 -5.427 1.00 0.00 O ATOM 530 CB GLU A 33 7.084 11.159 -6.784 1.00 0.00 C ATOM 531 CG GLU A 33 8.507 10.736 -6.443 1.00 0.00 C ATOM 532 CD GLU A 33 9.419 11.913 -6.164 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.479 12.370 -5.003 1.00 0.00 O ATOM 534 OE2 GLU A 33 10.084 12.387 -7.112 1.00 0.00 O ATOM 0 H GLU A 33 4.618 11.405 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 33 6.705 9.454 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.119 11.913 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.638 11.632 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.488 10.083 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.916 10.153 -7.269 1.00 0.00 H new ATOM 541 N ASN A 34 4.597 8.802 -5.867 1.00 0.00 N ATOM 542 CA ASN A 34 4.155 7.925 -4.795 1.00 0.00 C ATOM 543 C ASN A 34 4.056 6.493 -5.293 1.00 0.00 C ATOM 544 O ASN A 34 3.096 6.123 -5.977 1.00 0.00 O ATOM 545 CB ASN A 34 2.798 8.379 -4.244 1.00 0.00 C ATOM 546 CG ASN A 34 2.869 9.715 -3.532 1.00 0.00 C ATOM 547 OD1 ASN A 34 3.880 10.053 -2.920 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.795 10.488 -3.612 1.00 0.00 N ATOM 0 H ASN A 34 3.840 9.200 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 34 4.890 7.974 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.083 8.447 -5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.421 7.624 -3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.788 11.400 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.976 10.171 -4.130 1.00 0.00 H new ATOM 555 N TYR A 35 5.071 5.705 -4.978 1.00 0.00 N ATOM 556 CA TYR A 35 5.105 4.304 -5.366 1.00 0.00 C ATOM 557 C TYR A 35 4.868 3.410 -4.157 1.00 0.00 C ATOM 558 O TYR A 35 5.539 3.555 -3.135 1.00 0.00 O ATOM 559 CB TYR A 35 6.456 3.945 -5.997 1.00 0.00 C ATOM 560 CG TYR A 35 6.816 4.759 -7.222 1.00 0.00 C ATOM 561 CD1 TYR A 35 5.863 5.055 -8.183 1.00 0.00 C ATOM 562 CD2 TYR A 35 8.113 5.217 -7.421 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.187 5.786 -9.308 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.443 5.953 -8.545 1.00 0.00 C ATOM 565 CZ TYR A 35 7.476 6.233 -9.483 1.00 0.00 C ATOM 566 OH TYR A 35 7.799 6.956 -10.607 1.00 0.00 O ATOM 0 H TYR A 35 5.888 6.014 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 35 4.314 4.144 -6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.238 4.074 -5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.446 2.889 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.849 4.708 -8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.874 4.995 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.432 6.006 -10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.454 6.306 -8.685 1.00 0.00 H new ATOM 0 HH TYR A 35 8.748 7.198 -10.579 1.00 0.00 H new ATOM 576 N VAL A 36 3.910 2.502 -4.276 1.00 0.00 N ATOM 577 CA VAL A 36 3.635 1.521 -3.234 1.00 0.00 C ATOM 578 C VAL A 36 3.565 0.127 -3.848 1.00 0.00 C ATOM 579 O VAL A 36 3.419 -0.017 -5.063 1.00 0.00 O ATOM 580 CB VAL A 36 2.320 1.819 -2.473 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.336 3.225 -1.898 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.102 1.622 -3.361 1.00 0.00 C ATOM 0 H VAL A 36 3.304 2.424 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 36 4.450 1.577 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 36 2.251 1.107 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.402 3.412 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.172 3.326 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.445 3.948 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.198 1.840 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.163 2.294 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.070 0.590 -3.711 1.00 0.00 H new ATOM 592 N TYR A 37 3.685 -0.897 -3.022 1.00 0.00 N ATOM 593 CA TYR A 37 3.642 -2.267 -3.503 1.00 0.00 C ATOM 594 C TYR A 37 2.703 -3.105 -2.650 1.00 0.00 C ATOM 595 O TYR A 37 2.840 -3.160 -1.427 1.00 0.00 O ATOM 596 CB TYR A 37 5.042 -2.881 -3.482 1.00 0.00 C ATOM 597 CG TYR A 37 6.049 -2.135 -4.329 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.169 -2.393 -5.688 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.882 -1.176 -3.768 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.088 -1.713 -6.464 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.802 -0.493 -4.537 1.00 0.00 C ATOM 602 CZ TYR A 37 7.903 -0.766 -5.883 1.00 0.00 C ATOM 603 OH TYR A 37 8.820 -0.089 -6.650 1.00 0.00 O ATOM 0 H TYR A 37 3.813 -0.806 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 37 3.271 -2.256 -4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.399 -2.912 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.982 -3.912 -3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.534 -3.137 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.809 -0.961 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.167 -1.923 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.440 0.252 -4.085 1.00 0.00 H new ATOM 0 HH TYR A 37 8.961 0.806 -6.277 1.00 0.00 H new ATOM 613 N VAL A 38 1.745 -3.746 -3.295 1.00 0.00 N ATOM 614 CA VAL A 38 0.844 -4.646 -2.599 1.00 0.00 C ATOM 615 C VAL A 38 1.442 -6.046 -2.567 1.00 0.00 C ATOM 616 O VAL A 38 1.656 -6.669 -3.613 1.00 0.00 O ATOM 617 CB VAL A 38 -0.554 -4.700 -3.253 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.508 -5.539 -2.418 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.108 -3.302 -3.459 1.00 0.00 C ATOM 0 H VAL A 38 1.571 -3.660 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 38 0.720 -4.262 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.452 -5.172 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.486 -5.563 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.121 -6.554 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.602 -5.102 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.093 -3.365 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.190 -2.798 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.439 -2.737 -4.108 1.00 0.00 H new ATOM 629 N ASN A 39 1.726 -6.523 -1.367 1.00 0.00 N ATOM 630 CA ASN A 39 2.315 -7.841 -1.183 1.00 0.00 C ATOM 631 C ASN A 39 1.240 -8.912 -1.326 1.00 0.00 C ATOM 632 O ASN A 39 0.318 -8.989 -0.515 1.00 0.00 O ATOM 633 CB ASN A 39 2.985 -7.927 0.191 1.00 0.00 C ATOM 634 CG ASN A 39 3.828 -9.175 0.363 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.348 -10.209 0.821 1.00 0.00 O ATOM 636 ND2 ASN A 39 5.101 -9.078 0.015 1.00 0.00 N ATOM 0 H ASN A 39 1.557 -6.014 -0.499 1.00 0.00 H new ATOM 0 HA ASN A 39 3.074 -8.007 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.613 -7.048 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.218 -7.904 0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.722 -9.880 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.461 -8.201 -0.362 1.00 0.00 H new ATOM 643 N ARG A 40 1.357 -9.731 -2.365 1.00 0.00 N ATOM 644 CA ARG A 40 0.333 -10.723 -2.679 1.00 0.00 C ATOM 645 C ARG A 40 0.432 -11.930 -1.756 1.00 0.00 C ATOM 646 O ARG A 40 -0.477 -12.758 -1.701 1.00 0.00 O ATOM 647 CB ARG A 40 0.457 -11.180 -4.133 1.00 0.00 C ATOM 648 CG ARG A 40 0.328 -10.055 -5.145 1.00 0.00 C ATOM 649 CD ARG A 40 0.401 -10.578 -6.570 1.00 0.00 C ATOM 650 NE ARG A 40 -0.750 -11.408 -6.913 1.00 0.00 N ATOM 651 CZ ARG A 40 -0.979 -11.913 -8.126 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.133 -11.680 -9.127 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.060 -12.651 -8.335 1.00 0.00 N ATOM 0 H ARG A 40 2.151 -9.728 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.638 -10.251 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.422 -11.669 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.310 -11.927 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.618 -9.536 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.121 -9.325 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.459 -9.737 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.315 -11.158 -6.696 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.424 -11.615 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.699 -11.111 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.317 -12.071 -10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.711 -12.830 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.241 -13.040 -9.260 1.00 0.00 H new ATOM 667 N GLU A 41 1.532 -12.021 -1.025 1.00 0.00 N ATOM 668 CA GLU A 41 1.770 -13.149 -0.135 1.00 0.00 C ATOM 669 C GLU A 41 1.286 -12.833 1.276 1.00 0.00 C ATOM 670 O GLU A 41 1.761 -13.416 2.256 1.00 0.00 O ATOM 671 CB GLU A 41 3.258 -13.509 -0.131 1.00 0.00 C ATOM 672 CG GLU A 41 3.769 -13.979 -1.486 1.00 0.00 C ATOM 673 CD GLU A 41 3.196 -15.324 -1.896 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.963 -15.434 -2.058 1.00 0.00 O ATOM 675 OE2 GLU A 41 3.980 -16.279 -2.081 1.00 0.00 O ATOM 0 H GLU A 41 2.277 -11.325 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 41 1.205 -14.007 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.834 -12.639 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.433 -14.292 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.517 -13.236 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.856 -14.046 -1.456 1.00 0.00 H new ATOM 682 N ALA A 42 0.330 -11.914 1.372 1.00 0.00 N ATOM 683 CA ALA A 42 -0.284 -11.586 2.647 1.00 0.00 C ATOM 684 C ALA A 42 -1.181 -12.727 3.104 1.00 0.00 C ATOM 685 O ALA A 42 -2.368 -12.768 2.783 1.00 0.00 O ATOM 686 CB ALA A 42 -1.085 -10.302 2.537 1.00 0.00 C ATOM 0 H ALA A 42 -0.034 -11.385 0.580 1.00 0.00 H new ATOM 0 HA ALA A 42 0.505 -11.439 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.538 -10.072 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.426 -9.486 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.868 -10.425 1.789 1.00 0.00 H new ATOM 692 N ARG A 43 -0.599 -13.655 3.847 1.00 0.00 N ATOM 693 CA ARG A 43 -1.308 -14.846 4.280 1.00 0.00 C ATOM 694 C ARG A 43 -2.333 -14.509 5.352 1.00 0.00 C ATOM 695 O ARG A 43 -3.349 -15.184 5.487 1.00 0.00 O ATOM 696 CB ARG A 43 -0.319 -15.885 4.815 1.00 0.00 C ATOM 697 CG ARG A 43 0.711 -16.341 3.792 1.00 0.00 C ATOM 698 CD ARG A 43 0.058 -16.984 2.577 1.00 0.00 C ATOM 699 NE ARG A 43 -0.695 -18.194 2.918 1.00 0.00 N ATOM 700 CZ ARG A 43 -0.721 -19.292 2.160 1.00 0.00 C ATOM 701 NH1 ARG A 43 -0.033 -19.342 1.026 1.00 0.00 N ATOM 702 NH2 ARG A 43 -1.447 -20.338 2.529 1.00 0.00 N ATOM 0 H ARG A 43 0.369 -13.604 4.164 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.832 -15.260 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.200 -15.467 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.875 -16.753 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.309 -15.487 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.394 -17.053 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.611 -16.265 2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.826 -17.233 1.845 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.231 -18.197 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.520 -18.538 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.057 -20.184 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.987 -20.304 3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.466 -21.176 1.948 1.00 0.00 H new ATOM 716 N MET A 44 -2.059 -13.463 6.118 1.00 0.00 N ATOM 717 CA MET A 44 -2.947 -13.067 7.203 1.00 0.00 C ATOM 718 C MET A 44 -3.383 -11.612 7.060 1.00 0.00 C ATOM 719 O MET A 44 -4.042 -11.063 7.942 1.00 0.00 O ATOM 720 CB MET A 44 -2.257 -13.286 8.554 1.00 0.00 C ATOM 721 CG MET A 44 -1.962 -14.747 8.851 1.00 0.00 C ATOM 722 SD MET A 44 -1.034 -14.977 10.379 1.00 0.00 S ATOM 723 CE MET A 44 -0.861 -16.760 10.398 1.00 0.00 C ATOM 0 H MET A 44 -1.233 -12.875 6.010 1.00 0.00 H new ATOM 0 HA MET A 44 -3.841 -13.689 7.153 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.324 -12.723 8.572 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.888 -12.882 9.346 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.901 -15.296 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.399 -15.175 8.022 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.306 -17.062 11.286 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.848 -17.221 10.412 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.323 -17.083 9.507 1.00 0.00 H new ATOM 733 N GLY A 45 -3.012 -10.993 5.942 1.00 0.00 N ATOM 734 CA GLY A 45 -3.378 -9.603 5.698 1.00 0.00 C ATOM 735 C GLY A 45 -2.674 -8.631 6.628 1.00 0.00 C ATOM 736 O GLY A 45 -3.065 -7.471 6.737 1.00 0.00 O ATOM 0 H GLY A 45 -2.464 -11.427 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.140 -9.346 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.456 -9.491 5.814 1.00 0.00 H new ATOM 740 N ARG A 46 -1.636 -9.107 7.303 1.00 0.00 N ATOM 741 CA ARG A 46 -0.884 -8.284 8.231 1.00 0.00 C ATOM 742 C ARG A 46 0.241 -7.558 7.512 1.00 0.00 C ATOM 743 O ARG A 46 0.793 -6.585 8.013 1.00 0.00 O ATOM 744 CB ARG A 46 -0.308 -9.157 9.339 1.00 0.00 C ATOM 745 CG ARG A 46 -1.365 -9.830 10.191 1.00 0.00 C ATOM 746 CD ARG A 46 -0.746 -10.625 11.329 1.00 0.00 C ATOM 747 NE ARG A 46 -0.106 -9.759 12.321 1.00 0.00 N ATOM 748 CZ ARG A 46 0.483 -10.202 13.433 1.00 0.00 C ATOM 749 NH1 ARG A 46 0.510 -11.504 13.703 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.028 -9.342 14.285 1.00 0.00 N ATOM 0 H ARG A 46 -1.297 -10.066 7.222 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.556 -7.542 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.329 -9.921 8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.328 -8.545 9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.039 -9.076 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.966 -10.493 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.517 -11.223 11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.009 -11.320 10.926 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.111 -8.753 12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.079 -12.167 13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.961 -11.839 14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.997 -8.341 14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.478 -9.682 15.135 1.00 0.00 H new ATOM 764 N THR A 47 0.558 -8.033 6.322 1.00 0.00 N ATOM 765 CA THR A 47 1.660 -7.522 5.552 1.00 0.00 C ATOM 766 C THR A 47 1.250 -7.547 4.093 1.00 0.00 C ATOM 767 O THR A 47 1.294 -8.582 3.433 1.00 0.00 O ATOM 768 CB THR A 47 2.961 -8.342 5.768 1.00 0.00 C ATOM 769 OG1 THR A 47 2.773 -9.711 5.377 1.00 0.00 O ATOM 770 CG2 THR A 47 3.405 -8.295 7.224 1.00 0.00 C ATOM 0 H THR A 47 0.050 -8.790 5.865 1.00 0.00 H new ATOM 0 HA THR A 47 1.885 -6.506 5.877 1.00 0.00 H new ATOM 0 HB THR A 47 3.734 -7.892 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.254 -9.746 4.546 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.318 -8.878 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.593 -7.261 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.622 -8.712 7.857 1.00 0.00 H new ATOM 778 N ALA A 48 0.845 -6.405 3.599 1.00 0.00 N ATOM 779 CA ALA A 48 0.254 -6.322 2.272 1.00 0.00 C ATOM 780 C ALA A 48 0.305 -4.904 1.732 1.00 0.00 C ATOM 781 O ALA A 48 0.446 -4.709 0.526 1.00 0.00 O ATOM 782 CB ALA A 48 -1.194 -6.801 2.319 1.00 0.00 C ATOM 0 H ALA A 48 0.910 -5.514 4.091 1.00 0.00 H new ATOM 0 HA ALA A 48 0.832 -6.961 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.631 -6.736 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.224 -7.835 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.763 -6.174 3.006 1.00 0.00 H new ATOM 788 N LEU A 49 0.223 -3.912 2.603 1.00 0.00 N ATOM 789 CA LEU A 49 0.424 -2.545 2.158 1.00 0.00 C ATOM 790 C LEU A 49 1.847 -2.123 2.451 1.00 0.00 C ATOM 791 O LEU A 49 2.160 -1.622 3.535 1.00 0.00 O ATOM 792 CB LEU A 49 -0.549 -1.556 2.796 1.00 0.00 C ATOM 793 CG LEU A 49 -0.370 -0.111 2.310 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.651 -0.004 0.818 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.257 0.838 3.092 1.00 0.00 C ATOM 0 H LEU A 49 0.024 -4.022 3.597 1.00 0.00 H new ATOM 0 HA LEU A 49 0.231 -2.527 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.569 -1.877 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.423 -1.584 3.878 1.00 0.00 H new ATOM 0 HG LEU A 49 0.667 0.176 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.518 1.029 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.039 -0.646 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.675 -0.318 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.111 1.855 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.301 0.552 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.998 0.790 4.150 1.00 0.00 H new ATOM 807 N ILE A 50 2.711 -2.368 1.497 1.00 0.00 N ATOM 808 CA ILE A 50 4.096 -1.994 1.619 1.00 0.00 C ATOM 809 C ILE A 50 4.354 -0.773 0.759 1.00 0.00 C ATOM 810 O ILE A 50 4.511 -0.872 -0.453 1.00 0.00 O ATOM 811 CB ILE A 50 5.009 -3.163 1.221 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.692 -4.372 2.108 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.468 -2.764 1.349 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.379 -5.647 1.686 1.00 0.00 C ATOM 0 H ILE A 50 2.475 -2.830 0.619 1.00 0.00 H new ATOM 0 HA ILE A 50 4.321 -1.749 2.657 1.00 0.00 H new ATOM 0 HB ILE A 50 4.828 -3.429 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.979 -4.141 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.614 -4.536 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.101 -3.604 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.672 -1.916 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.680 -2.485 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.101 -6.452 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.074 -5.906 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.459 -5.505 1.715 1.00 0.00 H new ATOM 826 N ILE A 51 4.352 0.384 1.401 1.00 0.00 N ATOM 827 CA ILE A 51 4.359 1.648 0.686 1.00 0.00 C ATOM 828 C ILE A 51 5.731 1.973 0.081 1.00 0.00 C ATOM 829 O ILE A 51 6.058 1.531 -1.017 1.00 0.00 O ATOM 830 CB ILE A 51 3.863 2.816 1.586 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.606 2.850 2.929 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.365 2.690 1.831 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.356 4.112 3.728 1.00 0.00 C ATOM 0 H ILE A 51 4.346 0.473 2.417 1.00 0.00 H new ATOM 0 HA ILE A 51 3.660 1.535 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 51 4.071 3.748 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.304 1.988 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.676 2.752 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.029 3.513 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.836 2.724 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.156 1.743 2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.913 4.066 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.684 4.978 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.291 4.202 3.943 1.00 0.00 H new ATOM 845 N HIS A 52 6.532 2.716 0.817 1.00 0.00 N ATOM 846 CA HIS A 52 7.783 3.241 0.321 1.00 0.00 C ATOM 847 C HIS A 52 8.501 3.903 1.485 1.00 0.00 C ATOM 848 O HIS A 52 7.843 4.461 2.364 1.00 0.00 O ATOM 849 CB HIS A 52 7.492 4.266 -0.794 1.00 0.00 C ATOM 850 CG HIS A 52 8.704 4.910 -1.394 1.00 0.00 C ATOM 851 ND1 HIS A 52 9.345 5.979 -0.813 1.00 0.00 N ATOM 852 CD2 HIS A 52 9.385 4.642 -2.532 1.00 0.00 C ATOM 853 CE1 HIS A 52 10.366 6.344 -1.559 1.00 0.00 C ATOM 854 NE2 HIS A 52 10.416 5.549 -2.611 1.00 0.00 N ATOM 0 H HIS A 52 6.330 2.973 1.783 1.00 0.00 H new ATOM 0 HA HIS A 52 8.408 2.450 -0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.933 3.769 -1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.847 5.046 -0.390 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.071 6.422 0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.161 3.862 -3.245 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.046 7.155 -1.347 1.00 0.00 H new ATOM 863 N PRO A 53 9.840 3.822 1.542 1.00 0.00 N ATOM 864 CA PRO A 53 10.631 4.570 2.531 1.00 0.00 C ATOM 865 C PRO A 53 10.427 6.084 2.377 1.00 0.00 C ATOM 866 O PRO A 53 9.480 6.516 1.715 1.00 0.00 O ATOM 867 CB PRO A 53 12.078 4.169 2.213 1.00 0.00 C ATOM 868 CG PRO A 53 11.971 2.892 1.453 1.00 0.00 C ATOM 869 CD PRO A 53 10.684 2.972 0.687 1.00 0.00 C ATOM 0 HA PRO A 53 10.346 4.343 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.579 4.937 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.660 4.037 3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.819 2.767 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.971 2.036 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.829 3.411 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.242 1.987 0.536 1.00 0.00 H new ATOM 877 N ARG A 54 11.295 6.886 2.989 1.00 0.00 N ATOM 878 CA ARG A 54 11.168 8.354 2.961 1.00 0.00 C ATOM 879 C ARG A 54 10.019 8.814 3.861 1.00 0.00 C ATOM 880 O ARG A 54 10.186 9.686 4.709 1.00 0.00 O ATOM 881 CB ARG A 54 10.935 8.874 1.534 1.00 0.00 C ATOM 882 CG ARG A 54 10.819 10.388 1.442 1.00 0.00 C ATOM 883 CD ARG A 54 9.941 10.818 0.276 1.00 0.00 C ATOM 884 NE ARG A 54 10.067 12.245 -0.018 1.00 0.00 N ATOM 885 CZ ARG A 54 9.155 13.165 0.300 1.00 0.00 C ATOM 886 NH1 ARG A 54 8.060 12.825 0.969 1.00 0.00 N ATOM 887 NH2 ARG A 54 9.348 14.429 -0.047 1.00 0.00 N ATOM 0 H ARG A 54 12.101 6.548 3.515 1.00 0.00 H new ATOM 0 HA ARG A 54 12.107 8.765 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.756 8.543 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.024 8.425 1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.405 10.778 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.812 10.822 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.209 10.242 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.900 10.587 0.503 1.00 0.00 H new ATOM 0 HE ARG A 54 10.910 12.558 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.911 11.854 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.368 13.535 1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.191 14.695 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.653 15.136 0.194 1.00 0.00 H new ATOM 901 N LEU A 55 8.859 8.200 3.671 1.00 0.00 N ATOM 902 CA LEU A 55 7.647 8.555 4.395 1.00 0.00 C ATOM 903 C LEU A 55 7.534 7.806 5.713 1.00 0.00 C ATOM 904 O LEU A 55 6.467 7.782 6.320 1.00 0.00 O ATOM 905 CB LEU A 55 6.426 8.246 3.533 1.00 0.00 C ATOM 906 CG LEU A 55 6.105 9.292 2.474 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.025 8.784 1.533 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.665 10.575 3.151 1.00 0.00 C ATOM 0 H LEU A 55 8.732 7.437 3.006 1.00 0.00 H new ATOM 0 HA LEU A 55 7.694 9.621 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.582 7.287 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.559 8.132 4.184 1.00 0.00 H new ATOM 0 HG LEU A 55 6.999 9.490 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.809 9.545 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.370 7.876 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.120 8.567 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.435 11.325 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.777 10.383 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.466 10.941 3.793 1.00 0.00 H new ATOM 920 N LYS A 56 8.632 7.209 6.151 1.00 0.00 N ATOM 921 CA LYS A 56 8.645 6.425 7.382 1.00 0.00 C ATOM 922 C LYS A 56 8.186 7.266 8.572 1.00 0.00 C ATOM 923 O LYS A 56 7.378 6.812 9.384 1.00 0.00 O ATOM 924 CB LYS A 56 10.048 5.863 7.632 1.00 0.00 C ATOM 925 CG LYS A 56 10.150 4.978 8.865 1.00 0.00 C ATOM 926 CD LYS A 56 11.525 4.339 8.976 1.00 0.00 C ATOM 927 CE LYS A 56 11.677 3.558 10.269 1.00 0.00 C ATOM 928 NZ LYS A 56 11.817 4.451 11.449 1.00 0.00 N ATOM 0 H LYS A 56 9.531 7.252 5.671 1.00 0.00 H new ATOM 0 HA LYS A 56 7.947 5.596 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.359 5.289 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.748 6.693 7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.949 5.570 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.388 4.200 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.687 3.674 8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.291 5.113 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.810 2.911 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.551 2.910 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.036 3.882 12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.586 5.131 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.927 4.966 11.602 1.00 0.00 H new ATOM 942 N ASP A 57 8.679 8.494 8.654 1.00 0.00 N ATOM 943 CA ASP A 57 8.337 9.394 9.756 1.00 0.00 C ATOM 944 C ASP A 57 6.856 9.755 9.728 1.00 0.00 C ATOM 945 O ASP A 57 6.148 9.586 10.725 1.00 0.00 O ATOM 946 CB ASP A 57 9.177 10.673 9.693 1.00 0.00 C ATOM 947 CG ASP A 57 10.658 10.412 9.860 1.00 0.00 C ATOM 948 OD1 ASP A 57 11.293 9.942 8.895 1.00 0.00 O ATOM 949 OD2 ASP A 57 11.195 10.674 10.958 1.00 0.00 O ATOM 0 H ASP A 57 9.320 8.895 7.969 1.00 0.00 H new ATOM 0 HA ASP A 57 8.554 8.870 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.006 11.168 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.844 11.359 10.471 1.00 0.00 H new ATOM 954 N ARG A 58 6.394 10.250 8.586 1.00 0.00 N ATOM 955 CA ARG A 58 4.996 10.636 8.425 1.00 0.00 C ATOM 956 C ARG A 58 4.064 9.442 8.612 1.00 0.00 C ATOM 957 O ARG A 58 3.088 9.517 9.360 1.00 0.00 O ATOM 958 CB ARG A 58 4.766 11.282 7.052 1.00 0.00 C ATOM 959 CG ARG A 58 3.320 11.209 6.576 1.00 0.00 C ATOM 960 CD ARG A 58 3.086 12.029 5.318 1.00 0.00 C ATOM 961 NE ARG A 58 3.243 13.459 5.546 1.00 0.00 N ATOM 962 CZ ARG A 58 3.037 14.387 4.615 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.641 14.037 3.397 1.00 0.00 N ATOM 964 NH2 ARG A 58 3.218 15.665 4.912 1.00 0.00 N ATOM 0 H ARG A 58 6.968 10.394 7.755 1.00 0.00 H new ATOM 0 HA ARG A 58 4.765 11.368 9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.073 12.327 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.406 10.793 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.055 10.169 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.661 11.565 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.784 11.709 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.082 11.833 4.942 1.00 0.00 H new ATOM 0 HE ARG A 58 3.528 13.768 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.493 13.053 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.484 14.752 2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.514 15.934 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.062 16.381 4.202 1.00 0.00 H new ATOM 978 N SER A 59 4.370 8.343 7.937 1.00 0.00 N ATOM 979 CA SER A 59 3.538 7.153 8.005 1.00 0.00 C ATOM 980 C SER A 59 3.446 6.622 9.431 1.00 0.00 C ATOM 981 O SER A 59 2.390 6.148 9.847 1.00 0.00 O ATOM 982 CB SER A 59 4.070 6.069 7.066 1.00 0.00 C ATOM 983 OG SER A 59 3.453 4.814 7.324 1.00 0.00 O ATOM 0 H SER A 59 5.189 8.252 7.336 1.00 0.00 H new ATOM 0 HA SER A 59 2.534 7.431 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.889 6.360 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.149 5.978 7.187 1.00 0.00 H new ATOM 0 HG SER A 59 2.833 4.599 6.596 1.00 0.00 H new ATOM 989 N SER A 60 4.550 6.704 10.169 1.00 0.00 N ATOM 990 CA SER A 60 4.599 6.242 11.554 1.00 0.00 C ATOM 991 C SER A 60 3.604 7.006 12.433 1.00 0.00 C ATOM 992 O SER A 60 3.261 6.559 13.527 1.00 0.00 O ATOM 993 CB SER A 60 6.023 6.392 12.113 1.00 0.00 C ATOM 994 OG SER A 60 6.137 5.825 13.408 1.00 0.00 O ATOM 0 H SER A 60 5.430 7.090 9.827 1.00 0.00 H new ATOM 0 HA SER A 60 4.318 5.189 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.732 5.909 11.440 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.290 7.448 12.153 1.00 0.00 H new ATOM 0 HG SER A 60 7.055 5.936 13.734 1.00 0.00 H new ATOM 1000 N SER A 61 3.146 8.157 11.952 1.00 0.00 N ATOM 1001 CA SER A 61 2.223 8.988 12.712 1.00 0.00 C ATOM 1002 C SER A 61 0.781 8.783 12.245 1.00 0.00 C ATOM 1003 O SER A 61 -0.133 9.461 12.715 1.00 0.00 O ATOM 1004 CB SER A 61 2.616 10.458 12.569 1.00 0.00 C ATOM 1005 OG SER A 61 3.988 10.643 12.880 1.00 0.00 O ATOM 0 H SER A 61 3.400 8.535 11.039 1.00 0.00 H new ATOM 0 HA SER A 61 2.282 8.695 13.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.420 10.795 11.551 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.002 11.070 13.230 1.00 0.00 H new ATOM 0 HG SER A 61 4.540 10.268 12.162 1.00 0.00 H new ATOM 1011 N LEU A 62 0.578 7.849 11.323 1.00 0.00 N ATOM 1012 CA LEU A 62 -0.750 7.595 10.780 1.00 0.00 C ATOM 1013 C LEU A 62 -1.034 6.101 10.695 1.00 0.00 C ATOM 1014 O LEU A 62 -1.697 5.532 11.564 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.898 8.229 9.391 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.842 9.758 9.359 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.787 10.260 7.927 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.048 10.341 10.073 1.00 0.00 C ATOM 0 H LEU A 62 1.314 7.257 10.937 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.474 8.048 11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.110 7.840 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.848 7.908 8.963 1.00 0.00 H new ATOM 0 HG LEU A 62 0.063 10.082 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.748 11.349 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.102 9.864 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.676 9.928 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.997 11.429 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.960 10.007 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.054 10.006 11.110 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.504 5.472 9.656 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.789 4.075 9.376 1.00 0.00 C ATOM 1032 C ALA A 63 0.153 3.165 10.147 1.00 0.00 C ATOM 1033 O ALA A 63 1.376 3.277 10.027 1.00 0.00 O ATOM 1034 CB ALA A 63 -0.686 3.817 7.880 1.00 0.00 C ATOM 0 H ALA A 63 0.130 5.912 8.989 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.805 3.853 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.901 2.768 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.405 4.444 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.322 4.054 7.538 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.426 2.258 10.921 1.00 0.00 N ATOM 1041 CA ASP A 64 0.341 1.374 11.790 1.00 0.00 C ATOM 1042 C ASP A 64 1.152 0.365 10.981 1.00 0.00 C ATOM 1043 O ASP A 64 0.620 -0.321 10.103 1.00 0.00 O ATOM 1044 CB ASP A 64 -0.583 0.622 12.756 1.00 0.00 C ATOM 1045 CG ASP A 64 -1.348 1.542 13.687 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -0.736 2.095 14.624 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -2.577 1.705 13.497 1.00 0.00 O ATOM 0 H ASP A 64 -1.435 2.114 10.965 1.00 0.00 H new ATOM 0 HA ASP A 64 1.027 2.000 12.360 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.292 0.026 12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.011 -0.073 13.349 1.00 0.00 H new ATOM 1052 N PRO A 65 2.461 0.288 11.248 1.00 0.00 N ATOM 1053 CA PRO A 65 3.329 -0.735 10.684 1.00 0.00 C ATOM 1054 C PRO A 65 3.213 -2.041 11.462 1.00 0.00 C ATOM 1055 O PRO A 65 3.294 -2.049 12.693 1.00 0.00 O ATOM 1056 CB PRO A 65 4.742 -0.144 10.827 1.00 0.00 C ATOM 1057 CG PRO A 65 4.569 1.204 11.461 1.00 0.00 C ATOM 1058 CD PRO A 65 3.213 1.202 12.106 1.00 0.00 C ATOM 0 HA PRO A 65 3.073 -0.975 9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.372 -0.786 11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.228 -0.058 9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.349 1.388 12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.643 1.996 10.715 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.254 0.851 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.771 2.198 12.126 1.00 0.00 H new ATOM 1066 N ALA A 66 3.010 -3.137 10.749 1.00 0.00 N ATOM 1067 CA ALA A 66 2.861 -4.440 11.384 1.00 0.00 C ATOM 1068 C ALA A 66 4.204 -4.945 11.888 1.00 0.00 C ATOM 1069 O ALA A 66 4.346 -5.346 13.042 1.00 0.00 O ATOM 1070 CB ALA A 66 2.255 -5.431 10.408 1.00 0.00 C ATOM 0 H ALA A 66 2.944 -3.152 9.731 1.00 0.00 H new ATOM 0 HA ALA A 66 2.192 -4.336 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.148 -6.401 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.275 -5.075 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.905 -5.530 9.539 1.00 0.00 H new ATOM 1076 N SER A 67 5.188 -4.903 11.010 1.00 0.00 N ATOM 1077 CA SER A 67 6.533 -5.329 11.338 1.00 0.00 C ATOM 1078 C SER A 67 7.419 -4.114 11.530 1.00 0.00 C ATOM 1079 O SER A 67 7.318 -3.391 12.521 1.00 0.00 O ATOM 1080 CB SER A 67 7.053 -6.270 10.235 1.00 0.00 C ATOM 1081 OG SER A 67 8.295 -6.866 10.578 1.00 0.00 O ATOM 0 H SER A 67 5.077 -4.573 10.051 1.00 0.00 H new ATOM 0 HA SER A 67 6.540 -5.886 12.275 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.316 -7.052 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.165 -5.711 9.306 1.00 0.00 H new ATOM 0 HG SER A 67 9.027 -6.267 10.322 1.00 0.00 H new ATOM 1087 N ASP A 68 8.251 -3.902 10.564 1.00 0.00 N ATOM 1088 CA ASP A 68 9.123 -2.768 10.490 1.00 0.00 C ATOM 1089 C ASP A 68 9.509 -2.545 9.041 1.00 0.00 C ATOM 1090 O ASP A 68 9.284 -1.476 8.478 1.00 0.00 O ATOM 1091 CB ASP A 68 10.376 -3.018 11.326 1.00 0.00 C ATOM 1092 CG ASP A 68 11.112 -4.316 11.014 1.00 0.00 C ATOM 1093 OD1 ASP A 68 10.454 -5.355 10.780 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.359 -4.301 10.994 1.00 0.00 O ATOM 0 H ASP A 68 8.348 -4.537 9.772 1.00 0.00 H new ATOM 0 HA ASP A 68 8.614 -1.886 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.063 -2.185 11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.097 -3.021 12.380 1.00 0.00 H new ATOM 1099 N ILE A 69 10.052 -3.584 8.443 1.00 0.00 N ATOM 1100 CA ILE A 69 10.404 -3.595 7.041 1.00 0.00 C ATOM 1101 C ILE A 69 10.304 -5.016 6.513 1.00 0.00 C ATOM 1102 O ILE A 69 10.662 -5.974 7.198 1.00 0.00 O ATOM 1103 CB ILE A 69 11.828 -3.058 6.790 1.00 0.00 C ATOM 1104 CG1 ILE A 69 12.736 -3.467 7.938 1.00 0.00 C ATOM 1105 CG2 ILE A 69 11.808 -1.546 6.636 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.209 -3.253 7.669 1.00 0.00 C ATOM 0 H ILE A 69 10.264 -4.457 8.925 1.00 0.00 H new ATOM 0 HA ILE A 69 9.708 -2.938 6.520 1.00 0.00 H new ATOM 0 HB ILE A 69 12.212 -3.486 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.455 -2.903 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.568 -4.520 8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.821 -1.185 6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.174 -1.275 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.415 -1.093 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.787 -3.570 8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.509 -3.838 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.394 -2.196 7.476 1.00 0.00 H new ATOM 1118 N LYS A 70 9.800 -5.141 5.309 1.00 0.00 N ATOM 1119 CA LYS A 70 9.647 -6.437 4.664 1.00 0.00 C ATOM 1120 C LYS A 70 10.418 -6.429 3.358 1.00 0.00 C ATOM 1121 O LYS A 70 10.164 -5.595 2.486 1.00 0.00 O ATOM 1122 CB LYS A 70 8.163 -6.768 4.421 1.00 0.00 C ATOM 1123 CG LYS A 70 7.928 -8.194 3.936 1.00 0.00 C ATOM 1124 CD LYS A 70 6.443 -8.539 3.859 1.00 0.00 C ATOM 1125 CE LYS A 70 6.238 -10.018 3.552 1.00 0.00 C ATOM 1126 NZ LYS A 70 4.797 -10.391 3.442 1.00 0.00 N ATOM 0 H LYS A 70 9.483 -4.353 4.744 1.00 0.00 H new ATOM 0 HA LYS A 70 10.046 -7.211 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.608 -6.612 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.760 -6.072 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.380 -8.321 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.427 -8.892 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.959 -8.290 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.966 -7.935 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.745 -10.264 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.705 -10.615 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.687 -11.409 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.245 -9.854 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.453 -10.170 2.486 1.00 0.00 H new ATOM 1140 N THR A 71 11.374 -7.331 3.234 1.00 0.00 N ATOM 1141 CA THR A 71 12.257 -7.332 2.086 1.00 0.00 C ATOM 1142 C THR A 71 11.777 -8.276 0.990 1.00 0.00 C ATOM 1143 O THR A 71 11.174 -9.321 1.254 1.00 0.00 O ATOM 1144 CB THR A 71 13.697 -7.681 2.492 1.00 0.00 C ATOM 1145 OG1 THR A 71 13.737 -8.948 3.162 1.00 0.00 O ATOM 1146 CG2 THR A 71 14.265 -6.604 3.403 1.00 0.00 C ATOM 0 H THR A 71 11.557 -8.070 3.913 1.00 0.00 H new ATOM 0 HA THR A 71 12.242 -6.320 1.682 1.00 0.00 H new ATOM 0 HB THR A 71 14.302 -7.739 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.598 -9.049 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.286 -6.865 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.265 -5.648 2.880 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.652 -6.526 4.301 1.00 0.00 H new ATOM 1154 N CYS A 72 12.069 -7.883 -0.239 1.00 0.00 N ATOM 1155 CA CYS A 72 11.645 -8.590 -1.437 1.00 0.00 C ATOM 1156 C CYS A 72 12.232 -7.861 -2.635 1.00 0.00 C ATOM 1157 O CYS A 72 12.111 -6.641 -2.734 1.00 0.00 O ATOM 1158 CB CYS A 72 10.116 -8.640 -1.531 1.00 0.00 C ATOM 1159 SG CYS A 72 9.480 -9.497 -2.990 1.00 0.00 S ATOM 0 H CYS A 72 12.619 -7.047 -0.436 1.00 0.00 H new ATOM 0 HA CYS A 72 11.998 -9.621 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.726 -9.130 -0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 72 9.731 -7.620 -1.528 1.00 0.00 H new ATOM 0 HG CYS A 72 8.180 -9.483 -2.969 1.00 0.00 H new ATOM 1165 N ASP A 73 12.845 -8.606 -3.547 1.00 0.00 N ATOM 1166 CA ASP A 73 13.681 -8.023 -4.604 1.00 0.00 C ATOM 1167 C ASP A 73 12.907 -7.122 -5.567 1.00 0.00 C ATOM 1168 O ASP A 73 13.497 -6.531 -6.471 1.00 0.00 O ATOM 1169 CB ASP A 73 14.402 -9.119 -5.389 1.00 0.00 C ATOM 1170 CG ASP A 73 15.478 -9.804 -4.572 1.00 0.00 C ATOM 1171 OD1 ASP A 73 16.547 -9.193 -4.360 1.00 0.00 O ATOM 1172 OD2 ASP A 73 15.262 -10.957 -4.143 1.00 0.00 O ATOM 0 H ASP A 73 12.781 -9.623 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 73 14.408 -7.391 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.676 -9.860 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.850 -8.686 -6.284 1.00 0.00 H new ATOM 1177 N HIS A 74 11.606 -6.994 -5.371 1.00 0.00 N ATOM 1178 CA HIS A 74 10.798 -6.114 -6.206 1.00 0.00 C ATOM 1179 C HIS A 74 10.862 -4.663 -5.722 1.00 0.00 C ATOM 1180 O HIS A 74 10.596 -3.737 -6.486 1.00 0.00 O ATOM 1181 CB HIS A 74 9.338 -6.584 -6.235 1.00 0.00 C ATOM 1182 CG HIS A 74 9.119 -7.861 -6.988 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.080 -8.724 -6.718 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.796 -8.405 -8.027 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.129 -9.743 -7.556 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.160 -9.576 -8.362 1.00 0.00 N ATOM 0 H HIS A 74 11.086 -7.485 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 74 11.210 -6.158 -7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.990 -6.715 -5.210 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.725 -5.802 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.674 -7.994 -8.504 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.440 -10.574 -7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.439 -10.211 -9.110 1.00 0.00 H new ATOM 1195 N TYR A 75 11.228 -4.460 -4.460 1.00 0.00 N ATOM 1196 CA TYR A 75 11.164 -3.127 -3.856 1.00 0.00 C ATOM 1197 C TYR A 75 12.515 -2.404 -3.933 1.00 0.00 C ATOM 1198 O TYR A 75 13.227 -2.306 -2.935 1.00 0.00 O ATOM 1199 CB TYR A 75 10.720 -3.210 -2.384 1.00 0.00 C ATOM 1200 CG TYR A 75 9.580 -4.173 -2.114 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.542 -4.338 -3.020 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.549 -4.920 -0.940 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.510 -5.223 -2.770 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.518 -5.804 -0.682 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.502 -5.952 -1.600 1.00 0.00 C ATOM 1206 OH TYR A 75 6.478 -6.839 -1.355 1.00 0.00 O ATOM 0 H TYR A 75 11.570 -5.192 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 75 10.430 -2.558 -4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.576 -3.505 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.422 -2.215 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.540 -3.765 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.344 -4.807 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.713 -5.343 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.509 -6.375 0.234 1.00 0.00 H new ATOM 0 HH TYR A 75 6.140 -7.191 -2.205 1.00 0.00 H new ATOM 1216 N GLN A 76 12.880 -1.914 -5.113 1.00 0.00 N ATOM 1217 CA GLN A 76 14.138 -1.184 -5.274 1.00 0.00 C ATOM 1218 C GLN A 76 13.931 0.299 -4.993 1.00 0.00 C ATOM 1219 O GLN A 76 14.356 0.810 -3.955 1.00 0.00 O ATOM 1220 CB GLN A 76 14.712 -1.371 -6.682 1.00 0.00 C ATOM 1221 CG GLN A 76 15.834 -0.397 -7.010 1.00 0.00 C ATOM 1222 CD GLN A 76 16.667 -0.831 -8.199 1.00 0.00 C ATOM 1223 OE1 GLN A 76 16.170 -1.468 -9.128 1.00 0.00 O ATOM 1224 NE2 GLN A 76 17.947 -0.498 -8.174 1.00 0.00 N ATOM 0 H GLN A 76 12.330 -2.006 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 76 14.851 -1.589 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.085 -2.390 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.911 -1.251 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.407 0.585 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.481 -0.291 -6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.321 0.031 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.560 -0.770 -8.943 1.00 0.00 H new ATOM 1233 N ASN A 77 13.250 0.964 -5.925 1.00 0.00 N ATOM 1234 CA ASN A 77 12.987 2.401 -5.856 1.00 0.00 C ATOM 1235 C ASN A 77 14.265 3.232 -5.899 1.00 0.00 C ATOM 1236 O ASN A 77 14.613 3.800 -6.938 1.00 0.00 O ATOM 1237 CB ASN A 77 12.178 2.763 -4.604 1.00 0.00 C ATOM 1238 CG ASN A 77 10.750 2.270 -4.666 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.859 2.981 -5.123 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.520 1.056 -4.194 1.00 0.00 N ATOM 0 H ASN A 77 12.862 0.517 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 77 12.400 2.642 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.666 2.339 -3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.179 3.846 -4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.573 0.677 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.290 0.499 -3.823 1.00 0.00 H new ATOM 1247 N PHE A 78 14.967 3.289 -4.776 1.00 0.00 N ATOM 1248 CA PHE A 78 16.088 4.204 -4.618 1.00 0.00 C ATOM 1249 C PHE A 78 17.022 3.776 -3.479 1.00 0.00 C ATOM 1250 O PHE A 78 18.228 3.677 -3.685 1.00 0.00 O ATOM 1251 CB PHE A 78 15.567 5.631 -4.391 1.00 0.00 C ATOM 1252 CG PHE A 78 16.633 6.692 -4.374 1.00 0.00 C ATOM 1253 CD1 PHE A 78 17.100 7.237 -5.559 1.00 0.00 C ATOM 1254 CD2 PHE A 78 17.159 7.150 -3.176 1.00 0.00 C ATOM 1255 CE1 PHE A 78 18.074 8.217 -5.549 1.00 0.00 C ATOM 1256 CE2 PHE A 78 18.132 8.130 -3.162 1.00 0.00 C ATOM 1257 CZ PHE A 78 18.589 8.664 -4.349 1.00 0.00 C ATOM 0 H PHE A 78 14.779 2.710 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 78 16.675 4.179 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.848 5.870 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 78 15.028 5.661 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 78 16.699 6.892 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 78 16.804 6.736 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 78 18.432 8.633 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.535 8.478 -2.222 1.00 0.00 H new ATOM 0 HZ PHE A 78 19.349 9.431 -4.339 1.00 0.00 H new ATOM 1267 N PRO A 79 16.494 3.519 -2.259 1.00 0.00 N ATOM 1268 CA PRO A 79 17.327 3.210 -1.088 1.00 0.00 C ATOM 1269 C PRO A 79 18.062 1.875 -1.198 1.00 0.00 C ATOM 1270 O PRO A 79 19.264 1.859 -1.461 1.00 0.00 O ATOM 1271 CB PRO A 79 16.329 3.192 0.079 1.00 0.00 C ATOM 1272 CG PRO A 79 15.121 3.881 -0.451 1.00 0.00 C ATOM 1273 CD PRO A 79 15.070 3.523 -1.897 1.00 0.00 C ATOM 0 HA PRO A 79 18.125 3.943 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.100 2.173 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.729 3.708 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.221 3.552 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.192 4.960 -0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.604 2.551 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.503 4.250 -2.478 1.00 0.00 H new ATOM 1281 N LEU A 80 17.327 0.771 -1.007 1.00 0.00 N ATOM 1282 CA LEU A 80 17.905 -0.585 -1.017 1.00 0.00 C ATOM 1283 C LEU A 80 18.816 -0.785 0.197 1.00 0.00 C ATOM 1284 O LEU A 80 19.749 -0.017 0.422 1.00 0.00 O ATOM 1285 CB LEU A 80 18.681 -0.832 -2.320 1.00 0.00 C ATOM 1286 CG LEU A 80 18.359 -2.128 -3.056 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.159 -2.210 -4.347 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.660 -3.321 -2.175 1.00 0.00 C ATOM 0 H LEU A 80 16.321 0.789 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 80 17.091 -1.308 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.492 0.002 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.747 -0.822 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 80 17.297 -2.137 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.921 -3.140 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.906 -1.364 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.224 -2.185 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.425 -4.239 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.716 -3.318 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.055 -3.267 -1.270 1.00 0.00 H new ATOM 1300 N TYR A 81 18.528 -1.815 0.987 1.00 0.00 N ATOM 1301 CA TYR A 81 19.281 -2.082 2.207 1.00 0.00 C ATOM 1302 C TYR A 81 20.737 -2.377 1.871 1.00 0.00 C ATOM 1303 O TYR A 81 21.058 -3.430 1.316 1.00 0.00 O ATOM 1304 CB TYR A 81 18.661 -3.261 2.965 1.00 0.00 C ATOM 1305 CG TYR A 81 19.028 -3.330 4.434 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.276 -2.651 5.384 1.00 0.00 C ATOM 1307 CD2 TYR A 81 20.111 -4.083 4.870 1.00 0.00 C ATOM 1308 CE1 TYR A 81 18.590 -2.721 6.727 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.432 -4.157 6.213 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.669 -3.472 7.137 1.00 0.00 C ATOM 1311 OH TYR A 81 19.980 -3.544 8.477 1.00 0.00 O ATOM 0 H TYR A 81 17.777 -2.480 0.803 1.00 0.00 H new ATOM 0 HA TYR A 81 19.241 -1.199 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.576 -3.202 2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.970 -4.189 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.431 -2.058 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.711 -4.619 4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.992 -2.189 7.452 1.00 0.00 H new ATOM 0 HE2 TYR A 81 21.276 -4.748 6.537 1.00 0.00 H new ATOM 0 HH TYR A 81 20.767 -4.114 8.600 1.00 0.00 H new ATOM 1401 N GLU A 88 19.156 -5.757 0.421 1.00 0.00 N ATOM 1402 CA GLU A 88 17.767 -6.165 0.517 1.00 0.00 C ATOM 1403 C GLU A 88 16.831 -5.062 0.071 1.00 0.00 C ATOM 1404 O GLU A 88 16.818 -3.963 0.623 1.00 0.00 O ATOM 1405 CB GLU A 88 17.423 -6.628 1.935 1.00 0.00 C ATOM 1406 CG GLU A 88 17.766 -8.089 2.182 1.00 0.00 C ATOM 1407 CD GLU A 88 17.403 -8.558 3.577 1.00 0.00 C ATOM 1408 OE1 GLU A 88 18.212 -8.369 4.508 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.303 -9.123 3.753 1.00 0.00 O ATOM 0 HA GLU A 88 17.630 -7.010 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.959 -6.008 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.359 -6.475 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.245 -8.707 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.834 -8.237 2.022 1.00 0.00 H new ATOM 1416 N HIS A 89 16.073 -5.364 -0.962 1.00 0.00 N ATOM 1417 CA HIS A 89 15.032 -4.478 -1.435 1.00 0.00 C ATOM 1418 C HIS A 89 13.921 -4.451 -0.395 1.00 0.00 C ATOM 1419 O HIS A 89 13.133 -5.388 -0.305 1.00 0.00 O ATOM 1420 CB HIS A 89 14.484 -4.984 -2.772 1.00 0.00 C ATOM 1421 CG HIS A 89 15.422 -4.845 -3.933 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.714 -5.315 -3.926 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.245 -4.272 -5.144 1.00 0.00 C ATOM 1424 CE1 HIS A 89 17.288 -5.027 -5.078 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.419 -4.399 -5.837 1.00 0.00 N ATOM 0 H HIS A 89 16.161 -6.229 -1.496 1.00 0.00 H new ATOM 0 HA HIS A 89 15.431 -3.475 -1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.217 -6.035 -2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.565 -4.443 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.342 -3.800 -5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.305 -5.268 -5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 89 16.590 -4.062 -6.784 1.00 0.00 H new ATOM 1434 N TYR A 90 13.882 -3.408 0.412 1.00 0.00 N ATOM 1435 CA TYR A 90 13.003 -3.399 1.570 1.00 0.00 C ATOM 1436 C TYR A 90 11.879 -2.387 1.423 1.00 0.00 C ATOM 1437 O TYR A 90 12.054 -1.316 0.838 1.00 0.00 O ATOM 1438 CB TYR A 90 13.809 -3.111 2.842 1.00 0.00 C ATOM 1439 CG TYR A 90 14.335 -1.693 2.937 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.414 -1.276 2.171 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.745 -0.773 3.792 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.891 0.018 2.255 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.213 0.520 3.882 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.287 0.911 3.111 1.00 0.00 C ATOM 1445 OH TYR A 90 15.757 2.200 3.196 1.00 0.00 O ATOM 0 H TYR A 90 14.441 -2.564 0.291 1.00 0.00 H new ATOM 0 HA TYR A 90 12.548 -4.387 1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.181 -3.312 3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.650 -3.802 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.889 -1.974 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.904 -1.076 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.733 0.327 1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.741 1.223 4.553 1.00 0.00 H new ATOM 0 HH TYR A 90 15.220 2.702 3.845 1.00 0.00 H new ATOM 1455 N GLY A 91 10.724 -2.748 1.951 1.00 0.00 N ATOM 1456 CA GLY A 91 9.619 -1.828 2.039 1.00 0.00 C ATOM 1457 C GLY A 91 9.005 -1.871 3.420 1.00 0.00 C ATOM 1458 O GLY A 91 9.320 -2.760 4.206 1.00 0.00 O ATOM 0 H GLY A 91 10.532 -3.677 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.961 -0.817 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.867 -2.081 1.292 1.00 0.00 H new ATOM 1462 N ILE A 92 8.133 -0.930 3.726 1.00 0.00 N ATOM 1463 CA ILE A 92 7.530 -0.872 5.049 1.00 0.00 C ATOM 1464 C ILE A 92 6.137 -1.500 5.032 1.00 0.00 C ATOM 1465 O ILE A 92 5.218 -0.982 4.389 1.00 0.00 O ATOM 1466 CB ILE A 92 7.453 0.581 5.565 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.791 1.290 5.328 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.092 0.606 7.047 1.00 0.00 C ATOM 1469 CD1 ILE A 92 8.853 2.687 5.903 1.00 0.00 C ATOM 0 H ILE A 92 7.826 -0.199 3.084 1.00 0.00 H new ATOM 0 HA ILE A 92 8.164 -1.441 5.729 1.00 0.00 H new ATOM 0 HB ILE A 92 6.672 1.107 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.591 0.692 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.980 1.340 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.043 1.639 7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.124 0.128 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.852 0.069 7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.830 3.123 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.077 3.302 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.697 2.644 6.981 1.00 0.00 H new ATOM 1481 N PRO A 93 5.968 -2.635 5.731 1.00 0.00 N ATOM 1482 CA PRO A 93 4.716 -3.394 5.739 1.00 0.00 C ATOM 1483 C PRO A 93 3.666 -2.816 6.685 1.00 0.00 C ATOM 1484 O PRO A 93 3.912 -2.624 7.877 1.00 0.00 O ATOM 1485 CB PRO A 93 5.159 -4.777 6.215 1.00 0.00 C ATOM 1486 CG PRO A 93 6.330 -4.515 7.100 1.00 0.00 C ATOM 1487 CD PRO A 93 6.998 -3.270 6.575 1.00 0.00 C ATOM 0 HA PRO A 93 4.233 -3.386 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.360 -5.285 6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.432 -5.416 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.011 -4.377 8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.020 -5.359 7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.309 -2.612 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.892 -3.510 5.999 1.00 0.00 H new ATOM 1495 N HIS A 94 2.494 -2.535 6.142 1.00 0.00 N ATOM 1496 CA HIS A 94 1.391 -2.012 6.929 1.00 0.00 C ATOM 1497 C HIS A 94 0.205 -2.958 6.851 1.00 0.00 C ATOM 1498 O HIS A 94 0.245 -3.955 6.123 1.00 0.00 O ATOM 1499 CB HIS A 94 0.964 -0.629 6.424 1.00 0.00 C ATOM 1500 CG HIS A 94 2.039 0.409 6.489 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.157 0.385 5.688 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.159 1.509 7.264 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.918 1.422 5.970 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.336 2.125 6.921 1.00 0.00 N ATOM 0 H HIS A 94 2.281 -2.661 5.152 1.00 0.00 H new ATOM 0 HA HIS A 94 1.727 -1.922 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.626 -0.721 5.392 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.111 -0.289 7.010 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.364 -0.325 4.986 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.458 1.842 8.015 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.862 1.657 5.500 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.700 2.984 7.333 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.852 -2.613 7.568 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.063 -3.400 7.554 1.00 0.00 C ATOM 1515 C GLY A 95 -3.139 -2.740 8.384 1.00 0.00 C ATOM 1516 O GLY A 95 -2.839 -1.917 9.250 1.00 0.00 O ATOM 0 H GLY A 95 -0.891 -1.789 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.411 -3.522 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.858 -4.398 7.942 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.388 -3.087 8.116 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.520 -2.418 8.742 1.00 0.00 C ATOM 1522 C PHE A 96 -6.621 -3.425 9.025 1.00 0.00 C ATOM 1523 O PHE A 96 -6.363 -4.617 9.164 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.066 -1.314 7.821 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.018 -0.371 7.312 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.517 0.635 8.117 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.529 -0.500 6.024 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.545 1.495 7.646 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.561 0.357 5.548 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.067 1.356 6.360 1.00 0.00 C ATOM 0 H PHE A 96 -4.645 -3.831 7.467 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.184 -1.969 9.677 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.566 -1.778 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.821 -0.744 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.890 0.749 9.124 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.911 -1.282 5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.159 2.276 8.284 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -3.189 0.246 4.540 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.307 2.028 5.990 1.00 0.00 H new ATOM 1540 N SER A 97 -7.849 -2.944 9.069 1.00 0.00 N ATOM 1541 CA SER A 97 -8.995 -3.801 9.309 1.00 0.00 C ATOM 1542 C SER A 97 -10.257 -3.214 8.676 1.00 0.00 C ATOM 1543 O SER A 97 -11.354 -3.735 8.863 1.00 0.00 O ATOM 1544 CB SER A 97 -9.191 -3.966 10.815 1.00 0.00 C ATOM 1545 OG SER A 97 -9.158 -2.707 11.468 1.00 0.00 O ATOM 0 H SER A 97 -8.079 -1.959 8.941 1.00 0.00 H new ATOM 0 HA SER A 97 -8.811 -4.774 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.144 -4.457 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.411 -4.611 11.219 1.00 0.00 H new ATOM 0 HG SER A 97 -9.287 -2.835 12.431 1.00 0.00 H new ATOM 1551 N SER A 98 -10.092 -2.147 7.896 1.00 0.00 N ATOM 1552 CA SER A 98 -11.216 -1.506 7.239 1.00 0.00 C ATOM 1553 C SER A 98 -10.746 -0.765 5.994 1.00 0.00 C ATOM 1554 O SER A 98 -9.725 -0.067 6.017 1.00 0.00 O ATOM 1555 CB SER A 98 -11.929 -0.537 8.185 1.00 0.00 C ATOM 1556 OG SER A 98 -13.111 -0.035 7.590 1.00 0.00 O ATOM 0 H SER A 98 -9.189 -1.713 7.707 1.00 0.00 H new ATOM 0 HA SER A 98 -11.923 -2.283 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.173 -1.045 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.264 0.289 8.437 1.00 0.00 H new ATOM 0 HG SER A 98 -13.770 0.162 8.288 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.479 -0.951 4.909 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.201 -0.274 3.650 1.00 0.00 C ATOM 1564 C ARG A 99 -11.288 1.242 3.808 1.00 0.00 C ATOM 1565 O ARG A 99 -10.451 1.975 3.281 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.175 -0.770 2.581 1.00 0.00 C ATOM 1567 CG ARG A 99 -11.907 -2.205 2.151 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.174 -2.916 1.702 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.882 -2.192 0.652 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.085 -2.671 -0.574 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -13.580 -3.851 -0.924 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -14.798 -1.971 -1.449 1.00 0.00 N ATOM 0 H ARG A 99 -12.285 -1.576 4.875 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.182 -0.508 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.193 -0.695 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.112 -0.118 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.182 -2.209 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.459 -2.753 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.919 -3.913 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.836 -3.046 2.558 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.243 -1.263 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.035 -4.392 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.738 -4.215 -1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.189 -1.068 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.954 -2.337 -2.388 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.300 1.707 4.539 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.485 3.139 4.772 1.00 0.00 C ATOM 1588 C ILE A 100 -11.283 3.733 5.511 1.00 0.00 C ATOM 1589 O ILE A 100 -10.919 4.889 5.301 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.785 3.438 5.559 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.094 4.937 5.547 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.677 2.947 6.989 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.255 5.513 4.157 1.00 0.00 C ATOM 0 H ILE A 100 -13.004 1.114 4.980 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.570 3.608 3.792 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.600 2.906 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.008 5.115 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.293 5.468 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.602 3.169 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.506 1.871 6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.845 3.448 7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.472 6.579 4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.333 5.367 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.076 5.008 3.647 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.666 2.930 6.371 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.487 3.363 7.102 1.00 0.00 C ATOM 1607 C ALA A 101 -8.346 3.626 6.134 1.00 0.00 C ATOM 1608 O ALA A 101 -7.711 4.680 6.180 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.086 2.326 8.139 1.00 0.00 C ATOM 0 H ALA A 101 -10.965 1.977 6.577 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.720 4.289 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.201 2.670 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.904 2.182 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.865 1.381 7.642 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.117 2.671 5.236 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.087 2.810 4.213 1.00 0.00 C ATOM 1617 C LEU A 102 -7.324 4.072 3.388 1.00 0.00 C ATOM 1618 O LEU A 102 -6.380 4.788 3.051 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.068 1.574 3.305 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.077 1.631 2.135 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.661 1.868 2.635 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.142 0.345 1.324 1.00 0.00 C ATOM 0 H LEU A 102 -8.632 1.792 5.197 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.118 2.895 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.835 0.701 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.070 1.424 2.903 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.356 2.466 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.977 1.904 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.620 2.814 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.370 1.056 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.434 0.400 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.889 -0.501 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.150 0.214 0.930 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.592 4.346 3.098 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.986 5.546 2.366 1.00 0.00 C ATOM 1636 C GLU A 103 -8.443 6.792 3.069 1.00 0.00 C ATOM 1637 O GLU A 103 -7.740 7.607 2.471 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.518 5.611 2.284 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.060 6.431 1.117 1.00 0.00 C ATOM 1640 CD GLU A 103 -10.861 7.926 1.283 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.566 8.537 2.115 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.019 8.501 0.566 1.00 0.00 O ATOM 0 H GLU A 103 -9.373 3.745 3.362 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.572 5.508 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.908 4.596 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.901 6.031 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.571 6.107 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.124 6.225 1.002 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.746 6.900 4.356 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.381 8.069 5.151 1.00 0.00 C ATOM 1651 C ARG A 104 -6.870 8.155 5.357 1.00 0.00 C ATOM 1652 O ARG A 104 -6.311 9.245 5.480 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.083 8.009 6.506 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.584 7.803 6.403 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.227 7.748 7.773 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.120 9.026 8.473 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.925 9.143 9.785 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.765 8.059 10.539 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.878 10.345 10.343 1.00 0.00 N ATOM 0 H ARG A 104 -9.250 6.183 4.878 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.699 8.959 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.653 7.198 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.888 8.934 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.026 8.614 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.790 6.878 5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.278 7.476 7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.752 6.967 8.367 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.200 9.881 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.791 7.133 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.616 8.154 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.991 11.179 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.729 10.435 11.348 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.205 7.008 5.402 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.763 6.987 5.554 1.00 0.00 C ATOM 1675 C TYR A 105 -4.072 7.421 4.268 1.00 0.00 C ATOM 1676 O TYR A 105 -3.122 8.193 4.310 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.289 5.609 6.006 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.583 5.345 7.466 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.123 6.213 8.448 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.326 4.242 7.865 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -4.394 5.989 9.783 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.599 4.009 9.199 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.133 4.887 10.153 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.408 4.662 11.482 1.00 0.00 O ATOM 0 H TYR A 105 -6.641 6.088 5.336 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.490 7.703 6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.772 4.845 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.216 5.523 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.543 7.078 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.697 3.554 7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -4.028 6.674 10.533 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.174 3.143 9.492 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.940 3.844 11.572 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.555 6.942 3.125 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.061 7.420 1.833 1.00 0.00 C ATOM 1696 C LEU A 106 -4.318 8.919 1.713 1.00 0.00 C ATOM 1697 O LEU A 106 -3.521 9.666 1.141 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.752 6.683 0.680 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.544 5.167 0.647 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.337 4.552 -0.497 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.066 4.829 0.515 1.00 0.00 C ATOM 0 H LEU A 106 -5.282 6.229 3.064 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.990 7.224 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.822 6.884 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.395 7.102 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.905 4.748 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.181 3.473 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.397 4.763 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.002 4.978 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.941 3.746 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.676 5.258 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.521 5.240 1.365 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.443 9.333 2.277 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.863 10.731 2.307 1.00 0.00 C ATOM 1715 C ASN A 107 -4.834 11.603 3.014 1.00 0.00 C ATOM 1716 O ASN A 107 -4.384 12.614 2.479 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.191 10.824 3.054 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.813 12.203 3.031 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.521 13.045 3.882 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.691 12.440 2.073 1.00 0.00 N ATOM 0 H ASN A 107 -6.100 8.701 2.734 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.966 11.087 1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.892 10.113 2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.035 10.524 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.155 13.347 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.905 11.716 1.387 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.488 11.206 4.228 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.567 11.985 5.041 1.00 0.00 C ATOM 1729 C GLY A 108 -2.099 11.756 4.701 1.00 0.00 C ATOM 1730 O GLY A 108 -1.307 12.699 4.698 1.00 0.00 O ATOM 0 H GLY A 108 -4.829 10.353 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.797 13.044 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.729 11.741 6.091 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.736 10.512 4.421 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.339 10.150 4.183 1.00 0.00 C ATOM 1736 C LEU A 109 0.142 10.639 2.821 1.00 0.00 C ATOM 1737 O LEU A 109 1.144 11.352 2.731 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.168 8.628 4.319 1.00 0.00 C ATOM 1739 CG LEU A 109 1.186 8.042 3.901 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.337 8.789 4.543 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.256 6.585 4.301 1.00 0.00 C ATOM 0 H LEU A 109 -2.389 9.732 4.352 1.00 0.00 H new ATOM 0 HA LEU A 109 0.279 10.643 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.348 8.358 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.944 8.145 3.726 1.00 0.00 H new ATOM 0 HG LEU A 109 1.273 8.141 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.281 8.346 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.306 9.835 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.253 8.723 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.219 6.172 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.143 6.499 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.456 6.033 3.807 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.568 10.265 1.770 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.173 10.638 0.422 1.00 0.00 C ATOM 1755 C PHE A 110 -0.876 11.916 -0.008 1.00 0.00 C ATOM 1756 O PHE A 110 -0.248 12.833 -0.533 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.478 9.507 -0.562 1.00 0.00 C ATOM 1758 CG PHE A 110 0.285 8.247 -0.272 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.610 8.121 -0.659 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.319 7.193 0.392 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.317 6.967 -0.391 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.383 6.034 0.662 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.703 5.922 0.270 1.00 0.00 C ATOM 0 H PHE A 110 -1.419 9.705 1.824 1.00 0.00 H new ATOM 0 HA PHE A 110 0.902 10.817 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.546 9.291 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.244 9.841 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.095 8.936 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.350 7.278 0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.349 6.881 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.099 5.217 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.254 5.017 0.481 1.00 0.00 H new