USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 898 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot -68:sc= 0.922 USER MOD Set 1.2: A 102 HIS : no HD1:sc= -0.251 X(o=0.67,f=0.92) USER MOD Set 2.1: A 61 SER OG : rot -155:sc= 0.0623 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -2.46 X(o=-2.4,f=-2.3) USER MOD Set 3.1: A 36 ASN : amide:sc= 0.953 K(o=1.7,f=-0.26) USER MOD Set 3.2: A 50 ASN : amide:sc= 0.711 K(o=1.7,f=-0.46) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -0.556 X(o=-1.5,f=-1.3) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -0.969 K(o=-1.5,f=-5.7!) USER MOD Set 5.1: A 10 TYR OH : rot -154:sc= 0.0222 USER MOD Set 5.2: A 60 THR OG1 : rot 30:sc= 0.171 USER MOD Set 6.1: A 3 HIS : no HD1:sc= -0.443 K(o=-0.91,f=-1.7) USER MOD Set 6.2: A 4 MET CE :methyl 159:sc= -0.462 (180deg=-1.62) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 140:sc= 0 USER MOD Single : A 28 SER OG : rot -84:sc= 1.17 USER MOD Single : A 33 THR OG1 : rot 161:sc= 0.189 USER MOD Single : A 40 GLN : amide:sc= -0.0977 X(o=-0.098,f=0) USER MOD Single : A 41 MET CE :methyl 143:sc= -0.466 (180deg=-3.07!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -30:sc= 1.26 USER MOD Single : A 47 MET CE :methyl -153:sc= -0.114 (180deg=-1.24) USER MOD Single : A 49 SER OG : rot -160:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.382 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -0.48 K(o=-0.48,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -139:sc= 0.669 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.7!) USER MOD Single : A 83 GLN : amide:sc= 0.264 X(o=0.26,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -71:sc= 1.24 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00338) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 109 MET CE :methyl -121:sc= -1.7 (180deg=-4.16!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -126:sc= 0.868 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -13.499 -5.286 6.843 1.00 0.00 N ATOM 20 CA HIS A 3 -13.014 -4.499 5.719 1.00 0.00 C ATOM 21 C HIS A 3 -12.573 -5.425 4.581 1.00 0.00 C ATOM 22 O HIS A 3 -12.704 -5.056 3.419 1.00 0.00 O ATOM 23 CB HIS A 3 -11.859 -3.624 6.216 1.00 0.00 C ATOM 24 CG HIS A 3 -10.734 -4.454 6.770 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.692 -5.055 8.004 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.715 -4.967 6.029 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.681 -5.938 7.989 1.00 0.00 C ATOM 28 NE2 HIS A 3 -9.049 -5.918 6.804 1.00 0.00 N ATOM 0 HA HIS A 3 -13.804 -3.859 5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.489 -3.009 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.223 -2.943 6.986 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.465 -4.687 5.016 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.412 -6.577 8.817 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.246 -6.483 6.527 1.00 0.00 H new ATOM 36 N MET A 4 -12.139 -6.658 4.894 1.00 0.00 N ATOM 37 CA MET A 4 -11.842 -7.701 3.906 1.00 0.00 C ATOM 38 C MET A 4 -13.021 -7.910 2.944 1.00 0.00 C ATOM 39 O MET A 4 -12.814 -8.285 1.793 1.00 0.00 O ATOM 40 CB MET A 4 -11.530 -9.044 4.591 1.00 0.00 C ATOM 41 CG MET A 4 -10.468 -9.016 5.697 1.00 0.00 C ATOM 42 SD MET A 4 -8.720 -9.249 5.262 1.00 0.00 S ATOM 43 CE MET A 4 -8.403 -7.946 4.044 1.00 0.00 C ATOM 0 H MET A 4 -11.983 -6.959 5.856 1.00 0.00 H new ATOM 0 HA MET A 4 -10.970 -7.363 3.347 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.455 -9.434 5.016 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.208 -9.751 3.826 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.553 -8.057 6.207 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.730 -9.787 6.422 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.332 -7.750 3.991 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.762 -8.267 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.924 -7.036 4.341 1.00 0.00 H new ATOM 53 N GLU A 5 -14.248 -7.649 3.407 1.00 0.00 N ATOM 54 CA GLU A 5 -15.477 -7.733 2.625 1.00 0.00 C ATOM 55 C GLU A 5 -15.459 -6.855 1.371 1.00 0.00 C ATOM 56 O GLU A 5 -16.070 -7.206 0.363 1.00 0.00 O ATOM 57 CB GLU A 5 -16.728 -7.465 3.485 1.00 0.00 C ATOM 58 CG GLU A 5 -16.617 -6.376 4.569 1.00 0.00 C ATOM 59 CD GLU A 5 -17.811 -6.339 5.552 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.352 -7.414 5.920 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.194 -5.247 6.030 1.00 0.00 O ATOM 0 H GLU A 5 -14.414 -7.363 4.372 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.531 -8.763 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.546 -7.194 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.010 -8.399 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.699 -6.534 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.529 -5.404 4.084 1.00 0.00 H new ATOM 68 N VAL A 6 -14.745 -5.736 1.406 1.00 0.00 N ATOM 69 CA VAL A 6 -14.622 -4.796 0.291 1.00 0.00 C ATOM 70 C VAL A 6 -13.577 -5.271 -0.734 1.00 0.00 C ATOM 71 O VAL A 6 -13.699 -5.017 -1.936 1.00 0.00 O ATOM 72 CB VAL A 6 -14.265 -3.415 0.875 1.00 0.00 C ATOM 73 CG1 VAL A 6 -14.019 -2.367 -0.213 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.388 -2.929 1.800 1.00 0.00 C ATOM 0 H VAL A 6 -14.220 -5.447 2.232 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.566 -4.733 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.339 -3.537 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.771 -1.412 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.192 -2.688 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.918 -2.254 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.127 -1.953 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.316 -2.849 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.520 -3.639 2.616 1.00 0.00 H new ATOM 84 N PHE A 7 -12.531 -5.939 -0.255 1.00 0.00 N ATOM 85 CA PHE A 7 -11.385 -6.374 -1.054 1.00 0.00 C ATOM 86 C PHE A 7 -11.570 -7.759 -1.677 1.00 0.00 C ATOM 87 O PHE A 7 -10.854 -8.108 -2.619 1.00 0.00 O ATOM 88 CB PHE A 7 -10.121 -6.324 -0.183 1.00 0.00 C ATOM 89 CG PHE A 7 -9.804 -4.935 0.340 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.573 -3.880 -0.565 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.733 -4.691 1.725 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.268 -2.594 -0.089 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.407 -3.407 2.196 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.174 -2.360 1.292 1.00 0.00 C ATOM 0 H PHE A 7 -12.453 -6.201 0.728 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.288 -5.688 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.243 -7.003 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.274 -6.687 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.631 -4.061 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.929 -5.490 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.106 -1.785 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.336 -3.226 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.923 -1.375 1.658 1.00 0.00 H new ATOM 104 N ALA A 8 -12.535 -8.542 -1.198 1.00 0.00 N ATOM 105 CA ALA A 8 -12.664 -9.958 -1.501 1.00 0.00 C ATOM 106 C ALA A 8 -12.899 -10.206 -2.989 1.00 0.00 C ATOM 107 O ALA A 8 -12.449 -11.213 -3.549 1.00 0.00 O ATOM 108 CB ALA A 8 -13.853 -10.495 -0.714 1.00 0.00 C ATOM 0 H ALA A 8 -13.264 -8.197 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.737 -10.461 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.976 -11.558 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.679 -10.351 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.756 -9.961 -1.010 1.00 0.00 H new ATOM 114 N GLU A 9 -13.632 -9.295 -3.622 1.00 0.00 N ATOM 115 CA GLU A 9 -14.011 -9.343 -5.015 1.00 0.00 C ATOM 116 C GLU A 9 -12.877 -8.910 -5.946 1.00 0.00 C ATOM 117 O GLU A 9 -13.046 -9.009 -7.161 1.00 0.00 O ATOM 118 CB GLU A 9 -15.240 -8.448 -5.205 1.00 0.00 C ATOM 119 CG GLU A 9 -16.503 -9.053 -4.587 1.00 0.00 C ATOM 120 CD GLU A 9 -17.645 -8.045 -4.662 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.651 -7.065 -3.879 1.00 0.00 O ATOM 122 OE2 GLU A 9 -18.485 -8.182 -5.583 1.00 0.00 O ATOM 0 H GLU A 9 -13.991 -8.467 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.242 -10.375 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.050 -7.474 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.404 -8.281 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.776 -9.967 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.316 -9.328 -3.549 1.00 0.00 H new ATOM 129 N TYR A 10 -11.736 -8.437 -5.435 1.00 0.00 N ATOM 130 CA TYR A 10 -10.512 -8.378 -6.222 1.00 0.00 C ATOM 131 C TYR A 10 -9.688 -9.624 -5.993 1.00 0.00 C ATOM 132 O TYR A 10 -9.200 -10.198 -6.960 1.00 0.00 O ATOM 133 CB TYR A 10 -9.651 -7.171 -5.874 1.00 0.00 C ATOM 134 CG TYR A 10 -8.417 -7.075 -6.767 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.578 -6.976 -8.164 1.00 0.00 C ATOM 136 CD2 TYR A 10 -7.127 -6.956 -6.217 1.00 0.00 C ATOM 137 CE1 TYR A 10 -7.477 -6.743 -9.004 1.00 0.00 C ATOM 138 CE2 TYR A 10 -6.015 -6.743 -7.058 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.184 -6.625 -8.456 1.00 0.00 C ATOM 140 OH TYR A 10 -5.113 -6.385 -9.266 1.00 0.00 O ATOM 0 H TYR A 10 -11.640 -8.091 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.818 -8.296 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.243 -6.262 -5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.340 -7.235 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.563 -7.081 -8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.988 -7.028 -5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.621 -6.654 -10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.026 -6.669 -6.630 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.299 -6.730 -8.843 1.00 0.00 H new ATOM 150 N LEU A 11 -9.541 -10.033 -4.729 1.00 0.00 N ATOM 151 CA LEU A 11 -8.723 -11.172 -4.332 1.00 0.00 C ATOM 152 C LEU A 11 -9.037 -12.400 -5.176 1.00 0.00 C ATOM 153 O LEU A 11 -8.123 -13.058 -5.670 1.00 0.00 O ATOM 154 CB LEU A 11 -8.915 -11.461 -2.826 1.00 0.00 C ATOM 155 CG LEU A 11 -7.828 -10.880 -1.903 1.00 0.00 C ATOM 156 CD1 LEU A 11 -6.451 -11.229 -2.469 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.935 -9.371 -1.665 1.00 0.00 C ATOM 0 H LEU A 11 -9.997 -9.570 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.676 -10.923 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.882 -11.064 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.953 -12.541 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.978 -11.336 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.677 -10.820 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.344 -12.312 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.349 -10.803 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.130 -9.049 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.855 -8.846 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.896 -9.143 -1.204 1.00 0.00 H new ATOM 169 N LYS A 12 -10.327 -12.638 -5.417 1.00 0.00 N ATOM 170 CA LYS A 12 -10.819 -13.704 -6.279 1.00 0.00 C ATOM 171 C LYS A 12 -10.135 -13.743 -7.647 1.00 0.00 C ATOM 172 O LYS A 12 -9.950 -14.821 -8.204 1.00 0.00 O ATOM 173 CB LYS A 12 -12.342 -13.556 -6.422 1.00 0.00 C ATOM 174 CG LYS A 12 -12.810 -12.465 -7.406 1.00 0.00 C ATOM 175 CD LYS A 12 -14.334 -12.333 -7.371 1.00 0.00 C ATOM 176 CE LYS A 12 -14.880 -11.288 -8.349 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.330 -11.456 -8.581 1.00 0.00 N ATOM 0 H LYS A 12 -11.074 -12.079 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.574 -14.657 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.755 -14.512 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.763 -13.341 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.350 -11.511 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.483 -12.713 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.780 -13.301 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.645 -12.070 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.688 -10.289 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.349 -11.366 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.661 -10.730 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.511 -12.400 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.840 -11.356 -7.680 1.00 0.00 H new ATOM 191 N GLY A 13 -9.815 -12.586 -8.219 1.00 0.00 N ATOM 192 CA GLY A 13 -9.389 -12.415 -9.595 1.00 0.00 C ATOM 193 C GLY A 13 -7.900 -12.139 -9.727 1.00 0.00 C ATOM 194 O GLY A 13 -7.449 -11.960 -10.859 1.00 0.00 O ATOM 0 H GLY A 13 -9.849 -11.704 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.638 -13.313 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.946 -11.592 -10.042 1.00 0.00 H new ATOM 198 N ILE A 14 -7.135 -12.086 -8.630 1.00 0.00 N ATOM 199 CA ILE A 14 -5.682 -12.049 -8.716 1.00 0.00 C ATOM 200 C ILE A 14 -5.264 -13.449 -9.160 1.00 0.00 C ATOM 201 O ILE A 14 -5.230 -14.387 -8.365 1.00 0.00 O ATOM 202 CB ILE A 14 -5.013 -11.613 -7.391 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.560 -10.253 -6.902 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.485 -11.538 -7.594 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.860 -9.712 -5.649 1.00 0.00 C ATOM 0 H ILE A 14 -7.502 -12.068 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.349 -11.295 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.246 -12.352 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.460 -9.523 -7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.625 -10.355 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.009 -11.231 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.109 -12.518 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.257 -10.812 -8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.301 -8.755 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.982 -10.420 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.798 -9.575 -5.856 1.00 0.00 H new ATOM 217 N ASP A 15 -4.941 -13.594 -10.441 1.00 0.00 N ATOM 218 CA ASP A 15 -4.538 -14.843 -11.098 1.00 0.00 C ATOM 219 C ASP A 15 -3.157 -15.361 -10.642 1.00 0.00 C ATOM 220 O ASP A 15 -2.645 -16.370 -11.143 1.00 0.00 O ATOM 221 CB ASP A 15 -4.579 -14.626 -12.610 1.00 0.00 C ATOM 222 CG ASP A 15 -5.826 -15.252 -13.230 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.935 -16.498 -13.251 1.00 0.00 O ATOM 224 OD2 ASP A 15 -6.721 -14.496 -13.683 1.00 0.00 O ATOM 0 H ASP A 15 -4.952 -12.805 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.241 -15.623 -10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.561 -13.558 -12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.688 -15.059 -13.065 1.00 0.00 H new ATOM 229 N HIS A 16 -2.542 -14.657 -9.693 1.00 0.00 N ATOM 230 CA HIS A 16 -1.152 -14.738 -9.264 1.00 0.00 C ATOM 231 C HIS A 16 -1.046 -15.249 -7.809 1.00 0.00 C ATOM 232 O HIS A 16 -0.687 -14.498 -6.897 1.00 0.00 O ATOM 233 CB HIS A 16 -0.510 -13.351 -9.519 1.00 0.00 C ATOM 234 CG HIS A 16 0.817 -13.330 -10.229 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.589 -12.203 -10.410 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.436 -14.365 -10.875 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.672 -12.568 -11.119 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.624 -13.878 -11.417 1.00 0.00 N ATOM 0 H HIS A 16 -3.052 -13.953 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.591 -15.476 -9.838 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.214 -12.754 -10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.387 -12.853 -8.557 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.070 -15.378 -10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.470 -11.901 -11.409 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.321 -14.411 -11.938 1.00 0.00 H new ATOM 246 N PRO A 17 -1.311 -16.545 -7.565 1.00 0.00 N ATOM 247 CA PRO A 17 -1.401 -17.126 -6.226 1.00 0.00 C ATOM 248 C PRO A 17 -0.075 -17.192 -5.469 1.00 0.00 C ATOM 249 O PRO A 17 -0.062 -17.494 -4.277 1.00 0.00 O ATOM 250 CB PRO A 17 -1.913 -18.544 -6.445 1.00 0.00 C ATOM 251 CG PRO A 17 -1.462 -18.895 -7.852 1.00 0.00 C ATOM 252 CD PRO A 17 -1.609 -17.561 -8.558 1.00 0.00 C ATOM 0 HA PRO A 17 -2.047 -16.498 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.498 -19.234 -5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.998 -18.594 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.435 -19.260 -7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.085 -19.668 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.926 -17.491 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.618 -17.437 -8.951 1.00 0.00 H new ATOM 260 N ASP A 18 1.044 -16.950 -6.140 1.00 0.00 N ATOM 261 CA ASP A 18 2.359 -16.884 -5.507 1.00 0.00 C ATOM 262 C ASP A 18 2.631 -15.515 -4.866 1.00 0.00 C ATOM 263 O ASP A 18 3.587 -15.394 -4.099 1.00 0.00 O ATOM 264 CB ASP A 18 3.434 -17.275 -6.528 1.00 0.00 C ATOM 265 CG ASP A 18 3.466 -18.786 -6.741 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.748 -19.525 -5.764 1.00 0.00 O ATOM 267 OD2 ASP A 18 3.162 -19.221 -7.882 1.00 0.00 O ATOM 0 H ASP A 18 1.067 -16.792 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 18 2.385 -17.598 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.238 -16.775 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.410 -16.933 -6.183 1.00 0.00 H new ATOM 272 N HIS A 19 1.773 -14.512 -5.100 1.00 0.00 N ATOM 273 CA HIS A 19 1.959 -13.129 -4.635 1.00 0.00 C ATOM 274 C HIS A 19 0.727 -12.589 -3.905 1.00 0.00 C ATOM 275 O HIS A 19 0.836 -11.731 -3.026 1.00 0.00 O ATOM 276 CB HIS A 19 2.316 -12.253 -5.847 1.00 0.00 C ATOM 277 CG HIS A 19 3.328 -12.924 -6.746 1.00 0.00 C ATOM 278 ND1 HIS A 19 3.035 -13.548 -7.936 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.570 -13.346 -6.358 1.00 0.00 C ATOM 280 CE1 HIS A 19 4.057 -14.362 -8.233 1.00 0.00 C ATOM 281 NE2 HIS A 19 5.028 -14.266 -7.309 1.00 0.00 N ATOM 0 H HIS A 19 0.911 -14.642 -5.630 1.00 0.00 H new ATOM 0 HA HIS A 19 2.770 -13.109 -3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.412 -12.035 -6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.713 -11.299 -5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.103 -13.026 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.095 -15.008 -9.098 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.919 -14.763 -7.302 1.00 0.00 H new ATOM 289 N ARG A 20 -0.456 -13.100 -4.256 1.00 0.00 N ATOM 290 CA ARG A 20 -1.737 -12.647 -3.747 1.00 0.00 C ATOM 291 C ARG A 20 -1.800 -12.617 -2.219 1.00 0.00 C ATOM 292 O ARG A 20 -2.322 -11.646 -1.665 1.00 0.00 O ATOM 293 CB ARG A 20 -2.823 -13.543 -4.362 1.00 0.00 C ATOM 294 CG ARG A 20 -4.210 -13.189 -3.824 1.00 0.00 C ATOM 295 CD ARG A 20 -4.706 -14.170 -2.757 1.00 0.00 C ATOM 296 NE ARG A 20 -5.462 -15.239 -3.405 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.142 -16.198 -2.777 1.00 0.00 C ATOM 298 NH1 ARG A 20 -6.285 -16.177 -1.460 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.693 -17.174 -3.480 1.00 0.00 N ATOM 0 H ARG A 20 -0.543 -13.865 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.897 -11.610 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.814 -13.436 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.602 -14.588 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.185 -12.184 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.920 -13.170 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.862 -14.586 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.334 -13.652 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.470 -15.253 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.872 -15.421 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.808 -16.917 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.596 -17.189 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.215 -17.912 -3.007 1.00 0.00 H new ATOM 313 N ASP A 21 -1.328 -13.654 -1.531 1.00 0.00 N ATOM 314 CA ASP A 21 -1.466 -13.736 -0.083 1.00 0.00 C ATOM 315 C ASP A 21 -0.658 -12.637 0.602 1.00 0.00 C ATOM 316 O ASP A 21 -1.108 -12.119 1.619 1.00 0.00 O ATOM 317 CB ASP A 21 -1.071 -15.125 0.446 1.00 0.00 C ATOM 318 CG ASP A 21 -2.285 -16.016 0.689 1.00 0.00 C ATOM 319 OD1 ASP A 21 -3.146 -15.626 1.511 1.00 0.00 O ATOM 320 OD2 ASP A 21 -2.381 -17.097 0.065 1.00 0.00 O ATOM 0 H ASP A 21 -0.847 -14.448 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.518 -13.584 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.405 -15.608 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.513 -15.013 1.376 1.00 0.00 H new ATOM 325 N ARG A 22 0.485 -12.211 0.047 1.00 0.00 N ATOM 326 CA ARG A 22 1.296 -11.135 0.588 1.00 0.00 C ATOM 327 C ARG A 22 0.606 -9.786 0.458 1.00 0.00 C ATOM 328 O ARG A 22 0.665 -9.004 1.403 1.00 0.00 O ATOM 329 CB ARG A 22 2.666 -11.228 -0.094 1.00 0.00 C ATOM 330 CG ARG A 22 3.432 -9.913 -0.196 1.00 0.00 C ATOM 331 CD ARG A 22 4.937 -10.096 -0.427 1.00 0.00 C ATOM 332 NE ARG A 22 5.225 -11.212 -1.339 1.00 0.00 N ATOM 333 CZ ARG A 22 6.404 -11.523 -1.871 1.00 0.00 C ATOM 334 NH1 ARG A 22 7.448 -10.715 -1.768 1.00 0.00 N ATOM 335 NH2 ARG A 22 6.500 -12.658 -2.540 1.00 0.00 N ATOM 0 H ARG A 22 0.870 -12.618 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 22 1.437 -11.237 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.278 -11.945 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.527 -11.628 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.017 -9.323 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.280 -9.342 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.355 -9.176 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.431 -10.272 0.528 1.00 0.00 H new ATOM 0 HE ARG A 22 4.438 -11.811 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.360 -9.829 -1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.340 -10.979 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.685 -13.264 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.389 -12.928 -2.961 1.00 0.00 H new ATOM 349 N THR A 23 -0.045 -9.510 -0.670 1.00 0.00 N ATOM 350 CA THR A 23 -0.895 -8.338 -0.845 1.00 0.00 C ATOM 351 C THR A 23 -1.972 -8.307 0.265 1.00 0.00 C ATOM 352 O THR A 23 -2.226 -7.232 0.814 1.00 0.00 O ATOM 353 CB THR A 23 -1.430 -8.401 -2.292 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.329 -8.213 -3.159 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.510 -7.393 -2.697 1.00 0.00 C ATOM 0 H THR A 23 0.005 -10.103 -1.498 1.00 0.00 H new ATOM 0 HA THR A 23 -0.367 -7.391 -0.731 1.00 0.00 H new ATOM 0 HB THR A 23 -1.920 -9.372 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.410 -8.817 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.788 -7.556 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.387 -7.524 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.125 -6.380 -2.579 1.00 0.00 H new ATOM 363 N GLU A 24 -2.552 -9.459 0.640 1.00 0.00 N ATOM 364 CA GLU A 24 -3.543 -9.604 1.712 1.00 0.00 C ATOM 365 C GLU A 24 -2.947 -9.318 3.087 1.00 0.00 C ATOM 366 O GLU A 24 -3.621 -8.731 3.940 1.00 0.00 O ATOM 367 CB GLU A 24 -4.158 -11.020 1.682 1.00 0.00 C ATOM 368 CG GLU A 24 -5.546 -11.030 1.048 1.00 0.00 C ATOM 369 CD GLU A 24 -6.606 -10.411 1.948 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.753 -9.174 1.875 1.00 0.00 O ATOM 371 OE2 GLU A 24 -7.252 -11.173 2.706 1.00 0.00 O ATOM 0 H GLU A 24 -2.334 -10.346 0.186 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.325 -8.866 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.501 -11.688 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.221 -11.409 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.514 -10.486 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.827 -12.057 0.815 1.00 0.00 H new ATOM 378 N GLU A 25 -1.685 -9.690 3.319 1.00 0.00 N ATOM 379 CA GLU A 25 -1.018 -9.351 4.567 1.00 0.00 C ATOM 380 C GLU A 25 -0.922 -7.836 4.694 1.00 0.00 C ATOM 381 O GLU A 25 -1.279 -7.317 5.744 1.00 0.00 O ATOM 382 CB GLU A 25 0.373 -9.978 4.691 1.00 0.00 C ATOM 383 CG GLU A 25 0.333 -11.505 4.670 1.00 0.00 C ATOM 384 CD GLU A 25 1.616 -12.134 5.203 1.00 0.00 C ATOM 385 OE1 GLU A 25 2.733 -11.605 4.987 1.00 0.00 O ATOM 386 OE2 GLU A 25 1.538 -13.191 5.862 1.00 0.00 O ATOM 0 H GLU A 25 -1.114 -10.221 2.662 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.619 -9.763 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.001 -9.623 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.837 -9.643 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.511 -11.851 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.163 -11.846 3.649 1.00 0.00 H new ATOM 393 N ILE A 26 -0.469 -7.131 3.649 1.00 0.00 N ATOM 394 CA ILE A 26 -0.286 -5.673 3.693 1.00 0.00 C ATOM 395 C ILE A 26 -1.635 -4.996 3.943 1.00 0.00 C ATOM 396 O ILE A 26 -1.727 -4.062 4.737 1.00 0.00 O ATOM 397 CB ILE A 26 0.332 -5.111 2.390 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.621 -5.840 1.955 1.00 0.00 C ATOM 399 CG2 ILE A 26 0.642 -3.612 2.591 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.992 -5.676 0.482 1.00 0.00 C ATOM 0 H ILE A 26 -0.220 -7.552 2.754 1.00 0.00 H new ATOM 0 HA ILE A 26 0.409 -5.460 4.505 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.399 -5.267 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.449 -5.477 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.509 -6.903 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.078 -3.205 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.279 -3.078 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.347 -3.493 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.911 -6.224 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.188 -6.067 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.142 -4.619 0.260 1.00 0.00 H new ATOM 412 N LEU A 27 -2.665 -5.459 3.233 1.00 0.00 N ATOM 413 CA LEU A 27 -4.040 -5.016 3.376 1.00 0.00 C ATOM 414 C LEU A 27 -4.428 -5.076 4.857 1.00 0.00 C ATOM 415 O LEU A 27 -4.626 -4.051 5.510 1.00 0.00 O ATOM 416 CB LEU A 27 -4.927 -5.893 2.462 1.00 0.00 C ATOM 417 CG LEU A 27 -5.129 -5.355 1.037 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.738 -6.427 0.127 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.055 -4.139 1.042 1.00 0.00 C ATOM 0 H LEU A 27 -2.554 -6.179 2.519 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.177 -3.981 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.485 -6.887 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.904 -6.008 2.932 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.148 -5.069 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.871 -6.021 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.072 -7.289 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.705 -6.735 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.183 -3.775 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.025 -4.422 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.618 -3.351 1.656 1.00 0.00 H new ATOM 431 N SER A 28 -4.516 -6.292 5.386 1.00 0.00 N ATOM 432 CA SER A 28 -5.053 -6.582 6.712 1.00 0.00 C ATOM 433 C SER A 28 -4.192 -6.010 7.843 1.00 0.00 C ATOM 434 O SER A 28 -4.697 -5.700 8.925 1.00 0.00 O ATOM 435 CB SER A 28 -5.162 -8.101 6.819 1.00 0.00 C ATOM 436 OG SER A 28 -3.924 -8.755 6.608 1.00 0.00 O ATOM 0 H SER A 28 -4.207 -7.128 4.890 1.00 0.00 H new ATOM 0 HA SER A 28 -6.025 -6.103 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.544 -8.365 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.887 -8.461 6.089 1.00 0.00 H new ATOM 0 HG SER A 28 -3.778 -8.877 5.647 1.00 0.00 H new ATOM 442 N TRP A 29 -2.893 -5.872 7.583 1.00 0.00 N ATOM 443 CA TRP A 29 -1.917 -5.237 8.455 1.00 0.00 C ATOM 444 C TRP A 29 -2.332 -3.810 8.786 1.00 0.00 C ATOM 445 O TRP A 29 -2.298 -3.452 9.962 1.00 0.00 O ATOM 446 CB TRP A 29 -0.524 -5.275 7.816 1.00 0.00 C ATOM 447 CG TRP A 29 0.545 -4.471 8.483 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.092 -4.732 9.688 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.225 -3.280 7.987 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.079 -3.807 9.961 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.161 -2.854 8.973 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.146 -2.518 6.803 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.958 -1.714 8.811 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.955 -1.382 6.616 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.852 -0.976 7.624 1.00 0.00 C ATOM 0 H TRP A 29 -2.477 -6.217 6.718 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.876 -5.795 9.391 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.195 -6.314 7.779 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.614 -4.932 6.785 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.802 -5.542 10.340 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.672 -3.828 10.790 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.454 -2.811 6.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.643 -1.408 9.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.888 -0.819 5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.459 -0.094 7.482 1.00 0.00 H new ATOM 466 N VAL A 30 -2.748 -2.982 7.814 1.00 0.00 N ATOM 467 CA VAL A 30 -2.968 -1.591 8.186 1.00 0.00 C ATOM 468 C VAL A 30 -4.213 -1.517 9.078 1.00 0.00 C ATOM 469 O VAL A 30 -4.272 -0.776 10.042 1.00 0.00 O ATOM 470 CB VAL A 30 -3.179 -0.663 6.996 1.00 0.00 C ATOM 471 CG1 VAL A 30 -1.981 -0.580 6.039 1.00 0.00 C ATOM 472 CG2 VAL A 30 -4.544 -0.469 6.367 1.00 0.00 C ATOM 0 H VAL A 30 -2.925 -3.230 6.841 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.067 -1.255 8.699 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.218 0.270 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.215 0.101 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.109 -0.212 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.767 -1.570 5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.465 0.232 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.915 -1.426 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.235 -0.073 7.112 1.00 0.00 H new ATOM 482 N ALA A 31 -5.213 -2.325 8.777 1.00 0.00 N ATOM 483 CA ALA A 31 -6.393 -2.540 9.621 1.00 0.00 C ATOM 484 C ALA A 31 -6.051 -2.973 11.064 1.00 0.00 C ATOM 485 O ALA A 31 -6.934 -2.986 11.925 1.00 0.00 O ATOM 486 CB ALA A 31 -7.362 -3.514 8.945 1.00 0.00 C ATOM 0 H ALA A 31 -5.235 -2.870 7.915 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.886 -1.574 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.233 -3.663 9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.681 -3.104 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.863 -4.469 8.782 1.00 0.00 H new ATOM 492 N ALA A 32 -4.787 -3.277 11.373 1.00 0.00 N ATOM 493 CA ALA A 32 -4.261 -3.245 12.725 1.00 0.00 C ATOM 494 C ALA A 32 -3.599 -1.901 13.015 1.00 0.00 C ATOM 495 O ALA A 32 -4.043 -1.197 13.920 1.00 0.00 O ATOM 496 CB ALA A 32 -3.283 -4.400 12.933 1.00 0.00 C ATOM 0 H ALA A 32 -4.097 -3.555 10.675 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.086 -3.364 13.427 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.893 -4.368 13.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.798 -5.347 12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.459 -4.310 12.226 1.00 0.00 H new ATOM 502 N THR A 33 -2.503 -1.574 12.327 1.00 0.00 N ATOM 503 CA THR A 33 -1.578 -0.535 12.759 1.00 0.00 C ATOM 504 C THR A 33 -2.133 0.873 12.500 1.00 0.00 C ATOM 505 O THR A 33 -1.908 1.786 13.293 1.00 0.00 O ATOM 506 CB THR A 33 -0.249 -0.727 12.016 1.00 0.00 C ATOM 507 OG1 THR A 33 0.011 -2.064 11.642 1.00 0.00 O ATOM 508 CG2 THR A 33 0.949 -0.233 12.841 1.00 0.00 C ATOM 0 H THR A 33 -2.235 -2.026 11.453 1.00 0.00 H new ATOM 0 HA THR A 33 -1.430 -0.624 13.835 1.00 0.00 H new ATOM 0 HB THR A 33 -0.366 -0.130 11.112 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.689 -2.080 10.935 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.868 -0.388 12.276 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.830 0.829 13.055 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.000 -0.789 13.777 1.00 0.00 H new ATOM 516 N PHE A 34 -2.879 1.041 11.405 1.00 0.00 N ATOM 517 CA PHE A 34 -3.526 2.266 10.951 1.00 0.00 C ATOM 518 C PHE A 34 -5.042 2.041 10.879 1.00 0.00 C ATOM 519 O PHE A 34 -5.629 2.070 9.795 1.00 0.00 O ATOM 520 CB PHE A 34 -2.868 2.849 9.684 1.00 0.00 C ATOM 521 CG PHE A 34 -1.379 2.568 9.604 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.503 2.971 10.628 1.00 0.00 C ATOM 523 CD2 PHE A 34 -0.910 1.715 8.596 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.765 2.384 10.719 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.372 1.166 8.657 1.00 0.00 C ATOM 526 CZ PHE A 34 1.199 1.462 9.747 1.00 0.00 C ATOM 0 H PHE A 34 -3.057 0.264 10.768 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.372 3.062 11.679 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.358 2.434 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.030 3.927 9.661 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.806 3.727 11.338 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.550 1.479 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.416 2.641 11.542 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.724 0.517 7.868 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.164 0.986 9.842 1.00 0.00 H new ATOM 536 N PRO A 35 -5.717 1.833 12.024 1.00 0.00 N ATOM 537 CA PRO A 35 -7.126 1.453 12.059 1.00 0.00 C ATOM 538 C PRO A 35 -8.055 2.617 11.693 1.00 0.00 C ATOM 539 O PRO A 35 -9.256 2.401 11.558 1.00 0.00 O ATOM 540 CB PRO A 35 -7.370 0.970 13.491 1.00 0.00 C ATOM 541 CG PRO A 35 -6.411 1.835 14.300 1.00 0.00 C ATOM 542 CD PRO A 35 -5.203 1.964 13.381 1.00 0.00 C ATOM 0 HA PRO A 35 -7.345 0.681 11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.406 1.117 13.798 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.152 -0.092 13.604 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.845 2.807 14.534 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.148 1.366 15.248 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.708 2.925 13.520 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.465 1.191 13.595 1.00 0.00 H new ATOM 550 N ASN A 36 -7.524 3.836 11.532 1.00 0.00 N ATOM 551 CA ASN A 36 -8.279 5.008 11.087 1.00 0.00 C ATOM 552 C ASN A 36 -8.436 5.040 9.567 1.00 0.00 C ATOM 553 O ASN A 36 -9.209 5.833 9.036 1.00 0.00 O ATOM 554 CB ASN A 36 -7.580 6.285 11.573 1.00 0.00 C ATOM 555 CG ASN A 36 -8.575 7.417 11.828 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.522 7.254 12.591 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.358 8.596 11.277 1.00 0.00 N ATOM 0 H ASN A 36 -6.540 4.036 11.711 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.279 4.948 11.517 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.030 6.072 12.490 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.849 6.604 10.830 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.979 9.378 11.485 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.569 8.725 10.644 1.00 0.00 H new ATOM 564 N LEU A 37 -7.694 4.184 8.853 1.00 0.00 N ATOM 565 CA LEU A 37 -7.932 3.927 7.445 1.00 0.00 C ATOM 566 C LEU A 37 -9.176 3.045 7.338 1.00 0.00 C ATOM 567 O LEU A 37 -9.362 2.118 8.134 1.00 0.00 O ATOM 568 CB LEU A 37 -6.724 3.215 6.811 1.00 0.00 C ATOM 569 CG LEU A 37 -5.431 4.047 6.708 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.301 3.174 6.162 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.623 5.234 5.770 1.00 0.00 C ATOM 0 H LEU A 37 -6.914 3.655 9.244 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.079 4.867 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.510 2.317 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.004 2.888 5.809 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.183 4.413 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.388 3.764 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.136 2.331 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.573 2.804 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.697 5.806 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.888 4.873 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.421 5.872 6.149 1.00 0.00 H new ATOM 583 N GLU A 38 -9.980 3.276 6.314 1.00 0.00 N ATOM 584 CA GLU A 38 -11.181 2.538 5.938 1.00 0.00 C ATOM 585 C GLU A 38 -10.962 1.970 4.535 1.00 0.00 C ATOM 586 O GLU A 38 -10.225 2.581 3.765 1.00 0.00 O ATOM 587 CB GLU A 38 -12.351 3.533 5.925 1.00 0.00 C ATOM 588 CG GLU A 38 -12.814 3.895 7.342 1.00 0.00 C ATOM 589 CD GLU A 38 -13.891 2.928 7.842 1.00 0.00 C ATOM 590 OE1 GLU A 38 -13.707 1.690 7.771 1.00 0.00 O ATOM 591 OE2 GLU A 38 -14.976 3.410 8.242 1.00 0.00 O ATOM 0 H GLU A 38 -9.798 4.046 5.670 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.394 1.725 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.050 4.439 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.185 3.104 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.962 3.875 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.204 4.913 7.350 1.00 0.00 H new ATOM 598 N PRO A 39 -11.589 0.853 4.144 1.00 0.00 N ATOM 599 CA PRO A 39 -11.422 0.269 2.812 1.00 0.00 C ATOM 600 C PRO A 39 -12.200 1.071 1.755 1.00 0.00 C ATOM 601 O PRO A 39 -13.165 1.754 2.109 1.00 0.00 O ATOM 602 CB PRO A 39 -11.998 -1.139 2.967 1.00 0.00 C ATOM 603 CG PRO A 39 -13.122 -0.938 3.983 1.00 0.00 C ATOM 604 CD PRO A 39 -12.506 0.064 4.951 1.00 0.00 C ATOM 0 HA PRO A 39 -10.385 0.269 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.374 -1.528 2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.249 -1.844 3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.028 -0.550 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.393 -1.870 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.270 0.693 5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.983 -0.442 5.762 1.00 0.00 H new ATOM 612 N GLN A 40 -11.826 1.008 0.468 1.00 0.00 N ATOM 613 CA GLN A 40 -12.623 1.420 -0.687 1.00 0.00 C ATOM 614 C GLN A 40 -11.850 0.966 -1.919 1.00 0.00 C ATOM 615 O GLN A 40 -10.802 1.529 -2.210 1.00 0.00 O ATOM 616 CB GLN A 40 -12.832 2.943 -0.715 1.00 0.00 C ATOM 617 CG GLN A 40 -13.620 3.441 -1.928 1.00 0.00 C ATOM 618 CD GLN A 40 -14.329 4.775 -1.638 1.00 0.00 C ATOM 619 OE1 GLN A 40 -15.461 4.996 -2.061 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.672 5.691 -0.941 1.00 0.00 N ATOM 0 H GLN A 40 -10.911 0.649 0.196 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.617 0.974 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.354 3.244 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.859 3.433 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.945 3.564 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.358 2.692 -2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.733 5.493 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.106 6.594 -0.749 1.00 0.00 H new ATOM 629 N MET A 41 -12.292 -0.076 -2.618 1.00 0.00 N ATOM 630 CA MET A 41 -11.618 -0.490 -3.848 1.00 0.00 C ATOM 631 C MET A 41 -12.035 0.459 -4.988 1.00 0.00 C ATOM 632 O MET A 41 -13.221 0.766 -5.127 1.00 0.00 O ATOM 633 CB MET A 41 -11.888 -1.986 -4.082 1.00 0.00 C ATOM 634 CG MET A 41 -13.083 -2.314 -4.986 1.00 0.00 C ATOM 635 SD MET A 41 -12.778 -2.187 -6.773 1.00 0.00 S ATOM 636 CE MET A 41 -11.378 -3.329 -6.909 1.00 0.00 C ATOM 0 H MET A 41 -13.101 -0.642 -2.361 1.00 0.00 H new ATOM 0 HA MET A 41 -10.533 -0.402 -3.787 1.00 0.00 H new ATOM 0 HB2 MET A 41 -10.994 -2.434 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 41 -12.046 -2.463 -3.115 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.415 -3.328 -4.764 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.904 -1.646 -4.728 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.451 -3.885 -7.844 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.445 -2.765 -6.894 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.394 -4.025 -6.071 1.00 0.00 H new ATOM 646 N LYS A 42 -11.097 0.951 -5.804 1.00 0.00 N ATOM 647 CA LYS A 42 -11.332 1.943 -6.858 1.00 0.00 C ATOM 648 C LYS A 42 -10.388 1.675 -8.016 1.00 0.00 C ATOM 649 O LYS A 42 -9.292 1.177 -7.789 1.00 0.00 O ATOM 650 CB LYS A 42 -11.075 3.352 -6.284 1.00 0.00 C ATOM 651 CG LYS A 42 -12.091 4.367 -6.818 1.00 0.00 C ATOM 652 CD LYS A 42 -13.422 4.293 -6.050 1.00 0.00 C ATOM 653 CE LYS A 42 -14.634 4.630 -6.930 1.00 0.00 C ATOM 654 NZ LYS A 42 -15.491 3.451 -7.175 1.00 0.00 N ATOM 0 H LYS A 42 -10.121 0.660 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.360 1.878 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.129 3.319 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.066 3.674 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.679 5.373 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.270 4.181 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.544 3.291 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.388 4.982 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.223 5.412 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.289 5.030 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.296 3.725 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.938 2.714 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.843 3.083 -6.268 1.00 0.00 H new ATOM 668 N TRP A 43 -10.760 2.042 -9.243 1.00 0.00 N ATOM 669 CA TRP A 43 -9.961 1.810 -10.453 1.00 0.00 C ATOM 670 C TRP A 43 -9.514 0.346 -10.612 1.00 0.00 C ATOM 671 O TRP A 43 -8.416 0.054 -11.087 1.00 0.00 O ATOM 672 CB TRP A 43 -8.787 2.798 -10.506 1.00 0.00 C ATOM 673 CG TRP A 43 -9.117 4.190 -10.947 1.00 0.00 C ATOM 674 CD1 TRP A 43 -9.928 5.069 -10.320 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.645 4.867 -12.148 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.011 6.232 -11.061 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.217 6.171 -12.190 1.00 0.00 C ATOM 678 CE3 TRP A 43 -7.790 4.503 -13.208 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.943 7.073 -13.232 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.502 5.403 -14.252 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.068 6.689 -14.262 1.00 0.00 C ATOM 0 H TRP A 43 -11.642 2.519 -9.430 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.602 1.998 -11.314 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.337 2.850 -9.514 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.030 2.395 -11.179 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.434 4.890 -9.383 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.586 7.035 -10.807 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.348 3.517 -13.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.400 8.051 -13.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.841 5.102 -15.051 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.831 7.379 -15.058 1.00 0.00 H new ATOM 692 N ASN A 44 -10.357 -0.589 -10.176 1.00 0.00 N ATOM 693 CA ASN A 44 -10.070 -2.022 -10.101 1.00 0.00 C ATOM 694 C ASN A 44 -8.840 -2.321 -9.230 1.00 0.00 C ATOM 695 O ASN A 44 -8.241 -3.387 -9.346 1.00 0.00 O ATOM 696 CB ASN A 44 -9.894 -2.634 -11.498 1.00 0.00 C ATOM 697 CG ASN A 44 -10.351 -4.091 -11.569 1.00 0.00 C ATOM 698 OD1 ASN A 44 -9.575 -5.040 -11.541 1.00 0.00 O ATOM 699 ND2 ASN A 44 -11.649 -4.329 -11.656 1.00 0.00 N ATOM 0 H ASN A 44 -11.297 -0.360 -9.852 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.935 -2.486 -9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.459 -2.045 -12.221 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.845 -2.573 -11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.990 -5.289 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.309 -3.552 -11.680 1.00 0.00 H new ATOM 706 N THR A 45 -8.448 -1.409 -8.340 1.00 0.00 N ATOM 707 CA THR A 45 -7.351 -1.578 -7.399 1.00 0.00 C ATOM 708 C THR A 45 -7.918 -1.535 -5.974 1.00 0.00 C ATOM 709 O THR A 45 -8.892 -0.825 -5.703 1.00 0.00 O ATOM 710 CB THR A 45 -6.274 -0.497 -7.616 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.709 0.813 -7.320 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.687 -0.476 -9.032 1.00 0.00 C ATOM 0 H THR A 45 -8.905 -0.501 -8.255 1.00 0.00 H new ATOM 0 HA THR A 45 -6.867 -2.541 -7.560 1.00 0.00 H new ATOM 0 HB THR A 45 -5.502 -0.794 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.670 0.886 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.937 0.312 -9.103 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.224 -1.439 -9.248 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.482 -0.286 -9.753 1.00 0.00 H new ATOM 720 N PRO A 46 -7.315 -2.258 -5.028 1.00 0.00 N ATOM 721 CA PRO A 46 -7.560 -2.049 -3.615 1.00 0.00 C ATOM 722 C PRO A 46 -6.904 -0.737 -3.181 1.00 0.00 C ATOM 723 O PRO A 46 -5.803 -0.416 -3.623 1.00 0.00 O ATOM 724 CB PRO A 46 -6.889 -3.249 -2.957 1.00 0.00 C ATOM 725 CG PRO A 46 -5.719 -3.569 -3.884 1.00 0.00 C ATOM 726 CD PRO A 46 -6.302 -3.273 -5.244 1.00 0.00 C ATOM 0 HA PRO A 46 -8.615 -1.974 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.547 -3.013 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.574 -4.093 -2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.848 -2.949 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.400 -4.608 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.533 -2.918 -5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.735 -4.170 -5.687 1.00 0.00 H new ATOM 734 N MET A 47 -7.523 -0.006 -2.264 1.00 0.00 N ATOM 735 CA MET A 47 -6.891 1.081 -1.534 1.00 0.00 C ATOM 736 C MET A 47 -7.730 1.342 -0.280 1.00 0.00 C ATOM 737 O MET A 47 -8.753 0.680 -0.063 1.00 0.00 O ATOM 738 CB MET A 47 -6.706 2.326 -2.428 1.00 0.00 C ATOM 739 CG MET A 47 -7.959 2.709 -3.220 1.00 0.00 C ATOM 740 SD MET A 47 -8.037 4.416 -3.807 1.00 0.00 S ATOM 741 CE MET A 47 -8.223 5.197 -2.182 1.00 0.00 C ATOM 0 H MET A 47 -8.497 -0.156 -2.003 1.00 0.00 H new ATOM 0 HA MET A 47 -5.880 0.812 -1.227 1.00 0.00 H new ATOM 0 HB2 MET A 47 -6.410 3.169 -1.804 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.888 2.143 -3.125 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.036 2.046 -4.082 1.00 0.00 H new ATOM 0 HG3 MET A 47 -8.831 2.521 -2.594 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.753 6.143 -2.292 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.790 4.538 -1.524 1.00 0.00 H new ATOM 0 HE3 MET A 47 -7.239 5.380 -1.751 1.00 0.00 H new ATOM 751 N PHE A 48 -7.283 2.279 0.553 1.00 0.00 N ATOM 752 CA PHE A 48 -7.939 2.659 1.794 1.00 0.00 C ATOM 753 C PHE A 48 -8.065 4.191 1.819 1.00 0.00 C ATOM 754 O PHE A 48 -7.519 4.869 0.945 1.00 0.00 O ATOM 755 CB PHE A 48 -7.158 2.144 3.026 1.00 0.00 C ATOM 756 CG PHE A 48 -6.271 0.912 2.908 1.00 0.00 C ATOM 757 CD1 PHE A 48 -4.943 1.052 2.455 1.00 0.00 C ATOM 758 CD2 PHE A 48 -6.698 -0.334 3.409 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.025 -0.008 2.548 1.00 0.00 C ATOM 760 CE2 PHE A 48 -5.786 -1.403 3.487 1.00 0.00 C ATOM 761 CZ PHE A 48 -4.448 -1.219 3.095 1.00 0.00 C ATOM 0 H PHE A 48 -6.429 2.808 0.375 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.928 2.204 1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.530 2.963 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.887 1.944 3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.625 1.992 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.720 -0.468 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.009 0.113 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.114 -2.366 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.740 -2.025 3.219 1.00 0.00 H new ATOM 771 N SER A 49 -8.709 4.768 2.832 1.00 0.00 N ATOM 772 CA SER A 49 -8.753 6.208 3.037 1.00 0.00 C ATOM 773 C SER A 49 -8.793 6.489 4.536 1.00 0.00 C ATOM 774 O SER A 49 -9.529 5.838 5.268 1.00 0.00 O ATOM 775 CB SER A 49 -9.970 6.758 2.284 1.00 0.00 C ATOM 776 OG SER A 49 -11.214 6.402 2.837 1.00 0.00 O ATOM 0 H SER A 49 -9.220 4.240 3.539 1.00 0.00 H new ATOM 0 HA SER A 49 -7.868 6.709 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.900 7.845 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.932 6.406 1.253 1.00 0.00 H new ATOM 0 HG SER A 49 -11.915 6.505 2.160 1.00 0.00 H new ATOM 782 N ASN A 50 -7.991 7.437 5.014 1.00 0.00 N ATOM 783 CA ASN A 50 -8.137 8.007 6.346 1.00 0.00 C ATOM 784 C ASN A 50 -9.324 8.949 6.263 1.00 0.00 C ATOM 785 O ASN A 50 -9.241 9.931 5.526 1.00 0.00 O ATOM 786 CB ASN A 50 -6.856 8.765 6.722 1.00 0.00 C ATOM 787 CG ASN A 50 -6.846 9.160 8.188 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.731 8.293 9.042 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.937 10.434 8.524 1.00 0.00 N ATOM 0 H ASN A 50 -7.216 7.833 4.482 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.298 7.245 7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.988 8.141 6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.767 9.658 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.912 10.705 9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.033 11.147 7.801 1.00 0.00 H new ATOM 796 N GLN A 51 -10.440 8.627 6.915 1.00 0.00 N ATOM 797 CA GLN A 51 -11.635 9.469 6.941 1.00 0.00 C ATOM 798 C GLN A 51 -12.063 9.941 5.537 1.00 0.00 C ATOM 799 O GLN A 51 -12.358 11.119 5.323 1.00 0.00 O ATOM 800 CB GLN A 51 -11.426 10.638 7.924 1.00 0.00 C ATOM 801 CG GLN A 51 -10.753 10.226 9.241 1.00 0.00 C ATOM 802 CD GLN A 51 -10.905 11.296 10.307 1.00 0.00 C ATOM 803 OE1 GLN A 51 -10.804 12.488 10.033 1.00 0.00 O ATOM 804 NE2 GLN A 51 -11.191 10.889 11.528 1.00 0.00 N ATOM 0 H GLN A 51 -10.541 7.763 7.447 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.469 8.866 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.819 11.403 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.392 11.091 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.190 9.293 9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.694 10.035 9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.269 9.892 11.728 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.334 11.571 12.273 1.00 0.00 H new ATOM 813 N GLY A 52 -12.049 9.044 4.547 1.00 0.00 N ATOM 814 CA GLY A 52 -12.612 9.293 3.223 1.00 0.00 C ATOM 815 C GLY A 52 -11.639 9.834 2.167 1.00 0.00 C ATOM 816 O GLY A 52 -12.016 9.861 0.999 1.00 0.00 O ATOM 0 H GLY A 52 -11.641 8.115 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.039 8.362 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.434 10.001 3.327 1.00 0.00 H new ATOM 820 N THR A 53 -10.408 10.203 2.524 1.00 0.00 N ATOM 821 CA THR A 53 -9.354 10.800 1.690 1.00 0.00 C ATOM 822 C THR A 53 -8.839 9.975 0.514 1.00 0.00 C ATOM 823 O THR A 53 -9.425 8.967 0.092 1.00 0.00 O ATOM 824 CB THR A 53 -8.182 11.111 2.612 1.00 0.00 C ATOM 825 OG1 THR A 53 -7.361 12.131 2.095 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.453 9.838 3.028 1.00 0.00 C ATOM 0 H THR A 53 -10.092 10.083 3.486 1.00 0.00 H new ATOM 0 HA THR A 53 -9.811 11.670 1.219 1.00 0.00 H new ATOM 0 HB THR A 53 -8.570 11.529 3.541 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.952 12.628 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.622 10.093 3.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.143 9.179 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.072 9.331 2.142 1.00 0.00 H new ATOM 834 N PHE A 54 -7.664 10.395 0.010 1.00 0.00 N ATOM 835 CA PHE A 54 -6.799 9.519 -0.737 1.00 0.00 C ATOM 836 C PHE A 54 -5.305 9.424 -0.330 1.00 0.00 C ATOM 837 O PHE A 54 -4.461 9.078 -1.145 1.00 0.00 O ATOM 838 CB PHE A 54 -7.044 9.913 -2.200 1.00 0.00 C ATOM 839 CG PHE A 54 -6.349 9.169 -3.331 1.00 0.00 C ATOM 840 CD1 PHE A 54 -6.955 8.063 -3.951 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.126 9.657 -3.839 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.328 7.433 -5.040 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.505 9.037 -4.935 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.109 7.924 -5.536 1.00 0.00 C ATOM 0 H PHE A 54 -7.307 11.345 0.118 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.060 8.484 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.117 9.837 -2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.779 10.966 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.905 7.696 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.662 10.517 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.785 6.568 -5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.567 9.416 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.637 7.444 -6.381 1.00 0.00 H new ATOM 854 N ILE A 55 -4.957 9.621 0.941 1.00 0.00 N ATOM 855 CA ILE A 55 -3.614 9.468 1.530 1.00 0.00 C ATOM 856 C ILE A 55 -3.025 8.034 1.400 1.00 0.00 C ATOM 857 O ILE A 55 -2.001 7.761 2.020 1.00 0.00 O ATOM 858 CB ILE A 55 -3.621 9.987 3.008 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.246 11.393 3.129 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.227 10.096 3.662 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.529 11.899 4.550 1.00 0.00 C ATOM 0 H ILE A 55 -5.645 9.910 1.637 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.933 10.086 0.945 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.208 9.227 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.581 12.105 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.183 11.398 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.332 10.463 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.754 9.114 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.609 10.788 3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.967 12.896 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.224 11.222 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.597 11.939 5.114 1.00 0.00 H new ATOM 873 N ILE A 56 -3.602 7.078 0.651 1.00 0.00 N ATOM 874 CA ILE A 56 -2.984 5.779 0.392 1.00 0.00 C ATOM 875 C ILE A 56 -3.553 5.083 -0.855 1.00 0.00 C ATOM 876 O ILE A 56 -4.700 5.315 -1.239 1.00 0.00 O ATOM 877 CB ILE A 56 -3.131 4.931 1.677 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.267 3.658 1.654 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.587 4.639 2.060 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.659 3.486 3.040 1.00 0.00 C ATOM 0 H ILE A 56 -4.514 7.192 0.209 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.928 5.913 0.158 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.739 5.560 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.872 2.790 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.484 3.741 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.611 4.040 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.114 5.578 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.073 4.091 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.039 2.590 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.046 4.355 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.456 3.390 3.777 1.00 0.00 H new ATOM 892 N GLY A 57 -2.792 4.150 -1.441 1.00 0.00 N ATOM 893 CA GLY A 57 -3.316 3.108 -2.324 1.00 0.00 C ATOM 894 C GLY A 57 -2.219 2.368 -3.090 1.00 0.00 C ATOM 895 O GLY A 57 -1.066 2.807 -3.150 1.00 0.00 O ATOM 0 H GLY A 57 -1.782 4.100 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.886 2.391 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.009 3.557 -3.036 1.00 0.00 H new ATOM 899 N PHE A 58 -2.570 1.211 -3.658 1.00 0.00 N ATOM 900 CA PHE A 58 -1.629 0.261 -4.252 1.00 0.00 C ATOM 901 C PHE A 58 -2.316 -0.698 -5.228 1.00 0.00 C ATOM 902 O PHE A 58 -3.536 -0.630 -5.361 1.00 0.00 O ATOM 903 CB PHE A 58 -0.910 -0.489 -3.123 1.00 0.00 C ATOM 904 CG PHE A 58 -1.677 -1.046 -1.942 1.00 0.00 C ATOM 905 CD1 PHE A 58 -3.060 -1.315 -1.963 1.00 0.00 C ATOM 906 CD2 PHE A 58 -0.932 -1.343 -0.792 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.679 -1.948 -0.870 1.00 0.00 C ATOM 908 CE2 PHE A 58 -1.560 -1.960 0.300 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.917 -2.316 0.250 1.00 0.00 C ATOM 0 H PHE A 58 -3.540 0.903 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.896 0.809 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.380 -1.324 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.154 0.186 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.648 -1.033 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.119 -1.098 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.740 -2.151 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.990 -2.165 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.369 -2.866 1.062 1.00 0.00 H new ATOM 919 N SER A 59 -1.580 -1.600 -5.894 1.00 0.00 N ATOM 920 CA SER A 59 -2.143 -2.684 -6.689 1.00 0.00 C ATOM 921 C SER A 59 -1.015 -3.614 -7.141 1.00 0.00 C ATOM 922 O SER A 59 0.110 -3.155 -7.375 1.00 0.00 O ATOM 923 CB SER A 59 -2.942 -2.150 -7.888 1.00 0.00 C ATOM 924 OG SER A 59 -2.151 -1.534 -8.890 1.00 0.00 O ATOM 0 H SER A 59 -0.560 -1.590 -5.891 1.00 0.00 H new ATOM 0 HA SER A 59 -2.845 -3.246 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.497 -2.974 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.677 -1.430 -7.528 1.00 0.00 H new ATOM 0 HG SER A 59 -2.729 -1.223 -9.618 1.00 0.00 H new ATOM 930 N THR A 60 -1.284 -4.909 -7.301 1.00 0.00 N ATOM 931 CA THR A 60 -0.308 -5.831 -7.863 1.00 0.00 C ATOM 932 C THR A 60 -0.016 -5.425 -9.316 1.00 0.00 C ATOM 933 O THR A 60 -0.960 -5.257 -10.100 1.00 0.00 O ATOM 934 CB THR A 60 -0.843 -7.271 -7.798 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.111 -7.365 -8.414 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.027 -7.784 -6.373 1.00 0.00 C ATOM 0 H THR A 60 -2.173 -5.341 -7.048 1.00 0.00 H new ATOM 0 HA THR A 60 0.616 -5.788 -7.286 1.00 0.00 H new ATOM 0 HB THR A 60 -0.090 -7.871 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.175 -6.702 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.407 -8.805 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.069 -7.767 -5.854 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.737 -7.147 -5.846 1.00 0.00 H new ATOM 944 N SER A 61 1.258 -5.285 -9.674 1.00 0.00 N ATOM 945 CA SER A 61 1.732 -5.355 -11.052 1.00 0.00 C ATOM 946 C SER A 61 2.253 -6.785 -11.273 1.00 0.00 C ATOM 947 O SER A 61 2.200 -7.606 -10.350 1.00 0.00 O ATOM 948 CB SER A 61 2.830 -4.299 -11.243 1.00 0.00 C ATOM 949 OG SER A 61 3.047 -4.001 -12.607 1.00 0.00 O ATOM 0 H SER A 61 2.004 -5.116 -9.000 1.00 0.00 H new ATOM 0 HA SER A 61 0.948 -5.146 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.553 -3.388 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.758 -4.657 -10.798 1.00 0.00 H new ATOM 0 HG SER A 61 3.962 -3.671 -12.728 1.00 0.00 H new ATOM 955 N LYS A 62 2.785 -7.098 -12.466 1.00 0.00 N ATOM 956 CA LYS A 62 3.326 -8.430 -12.763 1.00 0.00 C ATOM 957 C LYS A 62 4.371 -8.819 -11.725 1.00 0.00 C ATOM 958 O LYS A 62 4.154 -9.754 -10.965 1.00 0.00 O ATOM 959 CB LYS A 62 3.931 -8.533 -14.177 1.00 0.00 C ATOM 960 CG LYS A 62 2.882 -8.436 -15.289 1.00 0.00 C ATOM 961 CD LYS A 62 3.446 -8.750 -16.682 1.00 0.00 C ATOM 962 CE LYS A 62 4.611 -7.841 -17.091 1.00 0.00 C ATOM 963 NZ LYS A 62 4.806 -7.805 -18.558 1.00 0.00 N ATOM 0 H LYS A 62 2.851 -6.441 -13.243 1.00 0.00 H new ATOM 0 HA LYS A 62 2.485 -9.123 -12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.666 -7.739 -14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.463 -9.480 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.066 -9.125 -15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.459 -7.432 -15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.780 -9.787 -16.704 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.647 -8.657 -17.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.426 -6.831 -16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.526 -8.190 -16.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.604 -7.178 -18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.009 -8.764 -18.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.943 -7.447 -19.014 1.00 0.00 H new ATOM 977 N HIS A 63 5.495 -8.103 -11.679 1.00 0.00 N ATOM 978 CA HIS A 63 6.698 -8.551 -10.975 1.00 0.00 C ATOM 979 C HIS A 63 6.893 -7.877 -9.613 1.00 0.00 C ATOM 980 O HIS A 63 7.922 -8.076 -8.964 1.00 0.00 O ATOM 981 CB HIS A 63 7.913 -8.313 -11.877 1.00 0.00 C ATOM 982 CG HIS A 63 7.759 -8.904 -13.254 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.607 -10.241 -13.533 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.685 -8.219 -14.437 1.00 0.00 C ATOM 985 CE1 HIS A 63 7.436 -10.371 -14.857 1.00 0.00 C ATOM 986 NE2 HIS A 63 7.506 -9.166 -15.454 1.00 0.00 N ATOM 0 H HIS A 63 5.597 -7.194 -12.130 1.00 0.00 H new ATOM 0 HA HIS A 63 6.582 -9.614 -10.762 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.085 -7.240 -11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.797 -8.739 -11.403 1.00 0.00 H new ATOM 0 HD1 HIS A 63 7.622 -11.001 -12.853 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.752 -7.148 -14.563 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.267 -11.306 -15.370 1.00 0.00 H new ATOM 994 N HIS A 64 5.958 -7.021 -9.209 1.00 0.00 N ATOM 995 CA HIS A 64 6.115 -6.109 -8.098 1.00 0.00 C ATOM 996 C HIS A 64 4.738 -5.647 -7.616 1.00 0.00 C ATOM 997 O HIS A 64 3.806 -5.537 -8.416 1.00 0.00 O ATOM 998 CB HIS A 64 7.004 -4.923 -8.559 1.00 0.00 C ATOM 999 CG HIS A 64 6.740 -4.396 -9.952 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.396 -4.797 -11.097 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.913 -3.357 -10.294 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.938 -4.054 -12.114 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.069 -3.136 -11.667 1.00 0.00 N ATOM 0 H HIS A 64 5.048 -6.947 -9.663 1.00 0.00 H new ATOM 0 HA HIS A 64 6.604 -6.598 -7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.876 -4.103 -7.852 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.047 -5.234 -8.502 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.262 -2.811 -9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.228 -4.177 -13.147 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.609 -2.414 -12.222 1.00 0.00 H new ATOM 1011 N LEU A 65 4.605 -5.345 -6.324 1.00 0.00 N ATOM 1012 CA LEU A 65 3.505 -4.535 -5.785 1.00 0.00 C ATOM 1013 C LEU A 65 3.966 -3.092 -5.833 1.00 0.00 C ATOM 1014 O LEU A 65 5.139 -2.837 -5.555 1.00 0.00 O ATOM 1015 CB LEU A 65 3.198 -4.939 -4.333 1.00 0.00 C ATOM 1016 CG LEU A 65 2.071 -4.166 -3.609 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.516 -2.895 -2.884 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.766 -4.009 -4.374 1.00 0.00 C ATOM 0 H LEU A 65 5.264 -5.658 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 65 2.595 -4.682 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.941 -5.998 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.113 -4.828 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 65 1.812 -4.863 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.654 -2.426 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.255 -3.149 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.956 -2.202 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.053 -3.451 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.951 -3.470 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.357 -4.993 -4.601 1.00 0.00 H new ATOM 1030 N SER A 66 3.063 -2.162 -6.131 1.00 0.00 N ATOM 1031 CA SER A 66 3.349 -0.730 -6.194 1.00 0.00 C ATOM 1032 C SER A 66 2.443 0.032 -5.235 1.00 0.00 C ATOM 1033 O SER A 66 1.282 -0.349 -5.106 1.00 0.00 O ATOM 1034 CB SER A 66 3.212 -0.170 -7.614 1.00 0.00 C ATOM 1035 OG SER A 66 2.556 -1.027 -8.529 1.00 0.00 O ATOM 0 H SER A 66 2.090 -2.387 -6.340 1.00 0.00 H new ATOM 0 HA SER A 66 4.388 -0.595 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.667 0.773 -7.567 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.207 0.055 -7.998 1.00 0.00 H new ATOM 0 HG SER A 66 2.510 -0.594 -9.407 1.00 0.00 H new ATOM 1041 N VAL A 67 2.963 1.065 -4.559 1.00 0.00 N ATOM 1042 CA VAL A 67 2.303 1.718 -3.425 1.00 0.00 C ATOM 1043 C VAL A 67 2.834 3.136 -3.158 1.00 0.00 C ATOM 1044 O VAL A 67 3.974 3.428 -3.507 1.00 0.00 O ATOM 1045 CB VAL A 67 2.474 0.773 -2.227 1.00 0.00 C ATOM 1046 CG1 VAL A 67 3.870 0.248 -1.888 1.00 0.00 C ATOM 1047 CG2 VAL A 67 1.794 1.272 -0.951 1.00 0.00 C ATOM 0 H VAL A 67 3.868 1.475 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 67 1.246 1.880 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 67 1.955 -0.098 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.812 -0.404 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.264 -0.313 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.531 1.087 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.957 0.554 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.216 2.236 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.724 1.382 -1.128 1.00 0.00 H new ATOM 1057 N SER A 68 2.041 4.007 -2.523 1.00 0.00 N ATOM 1058 CA SER A 68 2.445 5.304 -1.966 1.00 0.00 C ATOM 1059 C SER A 68 1.355 5.761 -0.979 1.00 0.00 C ATOM 1060 O SER A 68 0.274 5.158 -0.958 1.00 0.00 O ATOM 1061 CB SER A 68 2.634 6.311 -3.112 1.00 0.00 C ATOM 1062 OG SER A 68 2.910 7.637 -2.694 1.00 0.00 O ATOM 0 H SER A 68 1.050 3.817 -2.376 1.00 0.00 H new ATOM 0 HA SER A 68 3.393 5.229 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.449 5.968 -3.749 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.732 6.318 -3.725 1.00 0.00 H new ATOM 0 HG SER A 68 2.411 8.267 -3.254 1.00 0.00 H new ATOM 1068 N PRO A 69 1.620 6.767 -0.121 1.00 0.00 N ATOM 1069 CA PRO A 69 0.564 7.536 0.505 1.00 0.00 C ATOM 1070 C PRO A 69 0.012 8.618 -0.436 1.00 0.00 C ATOM 1071 O PRO A 69 -1.156 8.566 -0.795 1.00 0.00 O ATOM 1072 CB PRO A 69 1.194 8.152 1.758 1.00 0.00 C ATOM 1073 CG PRO A 69 2.676 8.276 1.389 1.00 0.00 C ATOM 1074 CD PRO A 69 2.899 7.055 0.496 1.00 0.00 C ATOM 0 HA PRO A 69 -0.291 6.906 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.756 9.122 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.050 7.518 2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.886 9.207 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.317 8.256 2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.658 7.258 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.250 6.204 1.080 1.00 0.00 H new ATOM 1082 N GLU A 70 0.840 9.529 -0.953 1.00 0.00 N ATOM 1083 CA GLU A 70 0.454 10.546 -1.923 1.00 0.00 C ATOM 1084 C GLU A 70 1.669 10.748 -2.827 1.00 0.00 C ATOM 1085 O GLU A 70 1.838 10.042 -3.823 1.00 0.00 O ATOM 1086 CB GLU A 70 0.061 11.883 -1.238 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.250 11.901 -0.448 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.631 13.321 0.022 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.071 14.325 -0.480 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.585 13.465 0.817 1.00 0.00 O ATOM 0 H GLU A 70 1.826 9.577 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.424 10.225 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.868 12.167 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.004 12.653 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.051 11.499 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.159 11.246 0.419 1.00 0.00 H new ATOM 1097 N GLU A 71 2.581 11.622 -2.402 1.00 0.00 N ATOM 1098 CA GLU A 71 3.725 12.097 -3.166 1.00 0.00 C ATOM 1099 C GLU A 71 4.959 12.163 -2.269 1.00 0.00 C ATOM 1100 O GLU A 71 6.030 11.764 -2.706 1.00 0.00 O ATOM 1101 CB GLU A 71 3.425 13.456 -3.823 1.00 0.00 C ATOM 1102 CG GLU A 71 2.881 14.511 -2.846 1.00 0.00 C ATOM 1103 CD GLU A 71 2.721 15.895 -3.481 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.428 15.977 -4.695 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.906 16.898 -2.759 1.00 0.00 O ATOM 0 H GLU A 71 2.536 12.035 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 71 3.928 11.392 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.337 13.836 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.701 13.310 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.915 14.180 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.553 14.586 -1.991 1.00 0.00 H new ATOM 1112 N ILE A 72 4.818 12.557 -0.993 1.00 0.00 N ATOM 1113 CA ILE A 72 5.944 12.690 -0.068 1.00 0.00 C ATOM 1114 C ILE A 72 6.717 11.373 0.066 1.00 0.00 C ATOM 1115 O ILE A 72 7.947 11.378 0.151 1.00 0.00 O ATOM 1116 CB ILE A 72 5.454 13.255 1.287 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.655 13.645 2.177 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.499 12.290 2.005 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.311 14.222 3.553 1.00 0.00 C ATOM 0 H ILE A 72 3.916 12.792 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 72 6.657 13.407 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 72 4.879 14.158 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.277 12.762 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.258 14.376 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.181 12.729 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.626 12.108 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.011 11.347 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.230 14.459 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.719 15.129 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.738 13.490 4.122 1.00 0.00 H new ATOM 1131 N GLY A 73 5.992 10.246 0.019 1.00 0.00 N ATOM 1132 CA GLY A 73 6.500 8.871 -0.024 1.00 0.00 C ATOM 1133 C GLY A 73 7.524 8.634 -1.139 1.00 0.00 C ATOM 1134 O GLY A 73 8.310 7.686 -1.095 1.00 0.00 O ATOM 0 H GLY A 73 4.972 10.274 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.957 8.630 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.663 8.186 -0.159 1.00 0.00 H new ATOM 1138 N ILE A 74 7.510 9.495 -2.149 1.00 0.00 N ATOM 1139 CA ILE A 74 8.267 9.413 -3.377 1.00 0.00 C ATOM 1140 C ILE A 74 9.213 10.619 -3.493 1.00 0.00 C ATOM 1141 O ILE A 74 10.161 10.586 -4.283 1.00 0.00 O ATOM 1142 CB ILE A 74 7.269 9.326 -4.554 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.067 8.373 -4.334 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.006 8.898 -5.816 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.450 6.910 -4.073 1.00 0.00 C ATOM 0 H ILE A 74 6.923 10.329 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 74 8.896 8.523 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 74 6.847 10.327 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.481 8.737 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.422 8.415 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.302 8.837 -6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.780 9.628 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.464 7.922 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.546 6.317 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.008 6.522 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.068 6.850 -3.177 1.00 0.00 H new ATOM 1157 N SER A 75 9.009 11.659 -2.686 1.00 0.00 N ATOM 1158 CA SER A 75 9.961 12.726 -2.487 1.00 0.00 C ATOM 1159 C SER A 75 11.012 12.290 -1.464 1.00 0.00 C ATOM 1160 O SER A 75 12.101 11.872 -1.857 1.00 0.00 O ATOM 1161 CB SER A 75 9.213 14.004 -2.075 1.00 0.00 C ATOM 1162 OG SER A 75 8.384 14.430 -3.135 1.00 0.00 O ATOM 0 H SER A 75 8.153 11.776 -2.144 1.00 0.00 H new ATOM 0 HA SER A 75 10.493 12.949 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.614 13.815 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.926 14.788 -1.820 1.00 0.00 H new ATOM 0 HG SER A 75 7.907 15.244 -2.870 1.00 0.00 H new ATOM 1168 N GLN A 76 10.694 12.352 -0.165 1.00 0.00 N ATOM 1169 CA GLN A 76 11.689 12.284 0.891 1.00 0.00 C ATOM 1170 C GLN A 76 11.933 10.825 1.252 1.00 0.00 C ATOM 1171 O GLN A 76 13.082 10.373 1.237 1.00 0.00 O ATOM 1172 CB GLN A 76 11.308 13.212 2.065 1.00 0.00 C ATOM 1173 CG GLN A 76 10.104 12.829 2.949 1.00 0.00 C ATOM 1174 CD GLN A 76 10.525 12.089 4.212 1.00 0.00 C ATOM 1175 OE1 GLN A 76 11.512 11.362 4.238 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.846 12.283 5.324 1.00 0.00 N ATOM 0 H GLN A 76 9.737 12.451 0.175 1.00 0.00 H new ATOM 0 HA GLN A 76 12.651 12.671 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.180 13.300 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.115 14.203 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.557 13.731 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.420 12.204 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.022 12.885 5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.144 11.831 6.189 1.00 0.00 H new ATOM 1185 N PHE A 77 10.851 10.060 1.458 1.00 0.00 N ATOM 1186 CA PHE A 77 10.962 8.656 1.837 1.00 0.00 C ATOM 1187 C PHE A 77 11.630 7.823 0.736 1.00 0.00 C ATOM 1188 O PHE A 77 12.164 6.750 1.022 1.00 0.00 O ATOM 1189 CB PHE A 77 9.617 8.057 2.253 1.00 0.00 C ATOM 1190 CG PHE A 77 8.911 8.756 3.405 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.013 9.798 3.132 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.109 8.359 4.742 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.323 10.450 4.159 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.412 9.008 5.784 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.528 10.061 5.483 1.00 0.00 C ATOM 0 H PHE A 77 9.892 10.396 1.367 1.00 0.00 H new ATOM 0 HA PHE A 77 11.608 8.621 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.954 8.063 1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 77 9.774 7.014 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.851 10.103 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.795 7.557 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.635 11.250 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.557 8.698 6.808 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.006 10.570 6.280 1.00 0.00 H new ATOM 1205 N ALA A 78 11.657 8.328 -0.506 1.00 0.00 N ATOM 1206 CA ALA A 78 12.306 7.669 -1.626 1.00 0.00 C ATOM 1207 C ALA A 78 13.765 7.344 -1.363 1.00 0.00 C ATOM 1208 O ALA A 78 14.222 6.322 -1.872 1.00 0.00 O ATOM 1209 CB ALA A 78 12.173 8.534 -2.869 1.00 0.00 C ATOM 0 H ALA A 78 11.221 9.216 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 78 11.802 6.714 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.660 8.040 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.118 8.683 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.646 9.500 -2.692 1.00 0.00 H new ATOM 1215 N ASP A 79 14.473 8.154 -0.574 1.00 0.00 N ATOM 1216 CA ASP A 79 15.892 7.935 -0.328 1.00 0.00 C ATOM 1217 C ASP A 79 16.081 6.662 0.489 1.00 0.00 C ATOM 1218 O ASP A 79 16.795 5.750 0.080 1.00 0.00 O ATOM 1219 CB ASP A 79 16.518 9.143 0.378 1.00 0.00 C ATOM 1220 CG ASP A 79 18.032 9.120 0.222 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.505 9.177 -0.931 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.750 9.025 1.244 1.00 0.00 O ATOM 0 H ASP A 79 14.083 8.967 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 79 16.402 7.816 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.116 10.066 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.254 9.132 1.436 1.00 0.00 H new ATOM 1227 N ALA A 80 15.377 6.559 1.619 1.00 0.00 N ATOM 1228 CA ALA A 80 15.395 5.381 2.475 1.00 0.00 C ATOM 1229 C ALA A 80 14.976 4.129 1.695 1.00 0.00 C ATOM 1230 O ALA A 80 15.632 3.092 1.816 1.00 0.00 O ATOM 1231 CB ALA A 80 14.481 5.633 3.679 1.00 0.00 C ATOM 0 H ALA A 80 14.772 7.304 1.965 1.00 0.00 H new ATOM 0 HA ALA A 80 16.409 5.201 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.485 4.758 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.841 6.499 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.465 5.822 3.332 1.00 0.00 H new ATOM 1237 N ILE A 81 13.927 4.231 0.870 1.00 0.00 N ATOM 1238 CA ILE A 81 13.463 3.158 -0.010 1.00 0.00 C ATOM 1239 C ILE A 81 14.590 2.756 -0.976 1.00 0.00 C ATOM 1240 O ILE A 81 14.799 1.565 -1.211 1.00 0.00 O ATOM 1241 CB ILE A 81 12.182 3.620 -0.760 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.004 3.881 0.210 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.715 2.624 -1.838 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.917 4.767 -0.414 1.00 0.00 C ATOM 0 H ILE A 81 13.367 5.080 0.796 1.00 0.00 H new ATOM 0 HA ILE A 81 13.204 2.275 0.574 1.00 0.00 H new ATOM 0 HB ILE A 81 12.470 4.550 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.565 2.929 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.381 4.357 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.817 3.007 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.502 2.496 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.495 1.663 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.114 4.920 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.346 5.731 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.518 4.281 -1.304 1.00 0.00 H new ATOM 1256 N ALA A 82 15.300 3.730 -1.557 1.00 0.00 N ATOM 1257 CA ALA A 82 16.297 3.505 -2.592 1.00 0.00 C ATOM 1258 C ALA A 82 17.443 2.651 -2.066 1.00 0.00 C ATOM 1259 O ALA A 82 17.805 1.664 -2.709 1.00 0.00 O ATOM 1260 CB ALA A 82 16.846 4.835 -3.112 1.00 0.00 C ATOM 0 H ALA A 82 15.190 4.714 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 82 15.810 2.976 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.590 4.644 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.031 5.426 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.308 5.384 -2.291 1.00 0.00 H new ATOM 1266 N GLN A 83 17.968 3.012 -0.893 1.00 0.00 N ATOM 1267 CA GLN A 83 19.059 2.302 -0.238 1.00 0.00 C ATOM 1268 C GLN A 83 18.754 0.830 -0.002 1.00 0.00 C ATOM 1269 O GLN A 83 19.702 0.053 0.081 1.00 0.00 O ATOM 1270 CB GLN A 83 19.352 2.932 1.122 1.00 0.00 C ATOM 1271 CG GLN A 83 20.421 4.023 1.086 1.00 0.00 C ATOM 1272 CD GLN A 83 19.881 5.326 0.557 1.00 0.00 C ATOM 1273 OE1 GLN A 83 19.913 5.589 -0.643 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.389 6.165 1.450 1.00 0.00 N ATOM 0 H GLN A 83 17.638 3.821 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 83 19.913 2.378 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.430 3.355 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.669 2.150 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.817 4.176 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 83 21.252 3.695 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.380 5.911 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.018 7.067 1.152 1.00 0.00 H new ATOM 1283 N ALA A 84 17.480 0.446 0.148 1.00 0.00 N ATOM 1284 CA ALA A 84 17.135 -0.943 0.402 1.00 0.00 C ATOM 1285 C ALA A 84 16.976 -1.750 -0.902 1.00 0.00 C ATOM 1286 O ALA A 84 16.504 -2.886 -0.869 1.00 0.00 O ATOM 1287 CB ALA A 84 15.901 -1.051 1.297 1.00 0.00 C ATOM 0 H ALA A 84 16.682 1.079 0.097 1.00 0.00 H new ATOM 0 HA ALA A 84 17.970 -1.391 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.667 -2.102 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 84 16.099 -0.562 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.055 -0.566 0.810 1.00 0.00 H new ATOM 1293 N GLY A 85 17.327 -1.180 -2.058 1.00 0.00 N ATOM 1294 CA GLY A 85 17.289 -1.881 -3.334 1.00 0.00 C ATOM 1295 C GLY A 85 15.885 -1.952 -3.919 1.00 0.00 C ATOM 1296 O GLY A 85 15.513 -2.960 -4.526 1.00 0.00 O ATOM 0 H GLY A 85 17.646 -0.214 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.949 -1.378 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.675 -2.892 -3.201 1.00 0.00 H new ATOM 1300 N TYR A 86 15.098 -0.887 -3.743 1.00 0.00 N ATOM 1301 CA TYR A 86 13.741 -0.780 -4.262 1.00 0.00 C ATOM 1302 C TYR A 86 13.609 0.488 -5.101 1.00 0.00 C ATOM 1303 O TYR A 86 14.332 1.466 -4.886 1.00 0.00 O ATOM 1304 CB TYR A 86 12.752 -0.773 -3.096 1.00 0.00 C ATOM 1305 CG TYR A 86 12.858 -1.944 -2.139 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.707 -3.263 -2.604 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.103 -1.717 -0.774 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.720 -4.346 -1.704 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.111 -2.789 0.126 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.883 -4.109 -0.322 1.00 0.00 C ATOM 1311 OH TYR A 86 12.823 -5.127 0.575 1.00 0.00 O ATOM 0 H TYR A 86 15.397 -0.061 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 86 13.519 -1.635 -4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.891 0.149 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.740 -0.749 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.580 -3.447 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.285 -0.714 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.606 -5.356 -2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.293 -2.605 1.174 1.00 0.00 H new ATOM 0 HH TYR A 86 11.906 -5.471 0.619 1.00 0.00 H new ATOM 1321 N SER A 87 12.667 0.494 -6.047 1.00 0.00 N ATOM 1322 CA SER A 87 12.660 1.462 -7.137 1.00 0.00 C ATOM 1323 C SER A 87 11.446 2.381 -7.036 1.00 0.00 C ATOM 1324 O SER A 87 10.291 1.928 -7.033 1.00 0.00 O ATOM 1325 CB SER A 87 12.740 0.714 -8.471 1.00 0.00 C ATOM 1326 OG SER A 87 13.120 1.550 -9.549 1.00 0.00 O ATOM 0 H SER A 87 11.893 -0.170 -6.076 1.00 0.00 H new ATOM 0 HA SER A 87 13.532 2.112 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.456 -0.103 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.771 0.266 -8.689 1.00 0.00 H new ATOM 0 HG SER A 87 13.157 1.023 -10.374 1.00 0.00 H new ATOM 1332 N ALA A 88 11.691 3.687 -6.999 1.00 0.00 N ATOM 1333 CA ALA A 88 10.643 4.700 -7.019 1.00 0.00 C ATOM 1334 C ALA A 88 10.184 4.977 -8.454 1.00 0.00 C ATOM 1335 O ALA A 88 10.895 4.681 -9.417 1.00 0.00 O ATOM 1336 CB ALA A 88 11.172 5.980 -6.379 1.00 0.00 C ATOM 0 H ALA A 88 12.633 4.075 -6.954 1.00 0.00 H new ATOM 0 HA ALA A 88 9.784 4.336 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.393 6.742 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.466 5.777 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.036 6.337 -6.939 1.00 0.00 H new ATOM 1342 N THR A 89 8.991 5.542 -8.600 1.00 0.00 N ATOM 1343 CA THR A 89 8.471 6.178 -9.807 1.00 0.00 C ATOM 1344 C THR A 89 8.204 7.640 -9.437 1.00 0.00 C ATOM 1345 O THR A 89 8.760 8.135 -8.466 1.00 0.00 O ATOM 1346 CB THR A 89 7.255 5.450 -10.418 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.092 5.643 -9.638 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.481 3.952 -10.631 1.00 0.00 C ATOM 0 H THR A 89 8.319 5.571 -7.833 1.00 0.00 H new ATOM 0 HA THR A 89 9.200 6.121 -10.616 1.00 0.00 H new ATOM 0 HB THR A 89 7.118 5.901 -11.401 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.173 5.141 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.585 3.507 -11.063 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.322 3.804 -11.308 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.697 3.477 -9.674 1.00 0.00 H new ATOM 1356 N LYS A 90 7.409 8.355 -10.230 1.00 0.00 N ATOM 1357 CA LYS A 90 6.900 9.681 -9.895 1.00 0.00 C ATOM 1358 C LYS A 90 5.961 9.708 -8.688 1.00 0.00 C ATOM 1359 O LYS A 90 5.874 10.726 -8.009 1.00 0.00 O ATOM 1360 CB LYS A 90 6.174 10.281 -11.101 1.00 0.00 C ATOM 1361 CG LYS A 90 5.203 9.318 -11.808 1.00 0.00 C ATOM 1362 CD LYS A 90 5.847 8.600 -13.006 1.00 0.00 C ATOM 1363 CE LYS A 90 5.738 9.500 -14.234 1.00 0.00 C ATOM 1364 NZ LYS A 90 6.646 9.099 -15.324 1.00 0.00 N ATOM 0 H LYS A 90 7.095 8.021 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 90 7.775 10.271 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.619 11.160 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.916 10.622 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.848 8.576 -11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.330 9.874 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.892 8.375 -12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.347 7.649 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.711 9.484 -14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.958 10.528 -13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.528 9.746 -16.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.630 9.140 -14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.422 8.128 -15.623 1.00 0.00 H new ATOM 1378 N GLY A 91 5.202 8.633 -8.457 1.00 0.00 N ATOM 1379 CA GLY A 91 3.954 8.713 -7.698 1.00 0.00 C ATOM 1380 C GLY A 91 3.586 7.429 -6.962 1.00 0.00 C ATOM 1381 O GLY A 91 2.631 7.406 -6.191 1.00 0.00 O ATOM 0 H GLY A 91 5.432 7.695 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.034 9.524 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.144 8.973 -8.379 1.00 0.00 H new ATOM 1385 N LEU A 92 4.346 6.359 -7.180 1.00 0.00 N ATOM 1386 CA LEU A 92 4.297 5.110 -6.421 1.00 0.00 C ATOM 1387 C LEU A 92 5.705 4.546 -6.354 1.00 0.00 C ATOM 1388 O LEU A 92 6.546 4.911 -7.184 1.00 0.00 O ATOM 1389 CB LEU A 92 3.268 4.096 -6.970 1.00 0.00 C ATOM 1390 CG LEU A 92 3.211 3.914 -8.502 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.266 2.927 -9.016 1.00 0.00 C ATOM 1392 CD2 LEU A 92 1.805 3.449 -8.903 1.00 0.00 C ATOM 0 H LEU A 92 5.044 6.337 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 92 3.939 5.321 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.477 3.125 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.278 4.399 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 92 3.433 4.877 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.182 2.836 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.261 3.291 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.106 1.952 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.759 3.319 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.582 2.501 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.073 4.196 -8.596 1.00 0.00 H new ATOM 1404 N PHE A 93 5.976 3.633 -5.427 1.00 0.00 N ATOM 1405 CA PHE A 93 7.234 2.887 -5.445 1.00 0.00 C ATOM 1406 C PHE A 93 6.863 1.426 -5.514 1.00 0.00 C ATOM 1407 O PHE A 93 5.736 1.079 -5.163 1.00 0.00 O ATOM 1408 CB PHE A 93 8.129 3.228 -4.252 1.00 0.00 C ATOM 1409 CG PHE A 93 7.635 2.751 -2.903 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.807 3.579 -2.129 1.00 0.00 C ATOM 1411 CD2 PHE A 93 8.021 1.492 -2.411 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.370 3.159 -0.864 1.00 0.00 C ATOM 1413 CE2 PHE A 93 7.578 1.069 -1.147 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.761 1.904 -0.364 1.00 0.00 C ATOM 0 H PHE A 93 5.349 3.392 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 93 7.838 3.160 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.116 2.801 -4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.252 4.310 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.505 4.544 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.657 0.851 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.733 3.800 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.866 0.097 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.436 1.584 0.615 1.00 0.00 H new ATOM 1424 N ARG A 94 7.765 0.570 -5.996 1.00 0.00 N ATOM 1425 CA ARG A 94 7.433 -0.844 -6.137 1.00 0.00 C ATOM 1426 C ARG A 94 8.516 -1.727 -5.563 1.00 0.00 C ATOM 1427 O ARG A 94 9.705 -1.427 -5.690 1.00 0.00 O ATOM 1428 CB ARG A 94 6.996 -1.212 -7.570 1.00 0.00 C ATOM 1429 CG ARG A 94 8.110 -1.479 -8.594 1.00 0.00 C ATOM 1430 CD ARG A 94 8.858 -0.191 -8.834 1.00 0.00 C ATOM 1431 NE ARG A 94 9.376 -0.059 -10.205 1.00 0.00 N ATOM 1432 CZ ARG A 94 9.972 1.034 -10.693 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.131 2.077 -9.893 1.00 0.00 N ATOM 1434 NH2 ARG A 94 10.405 1.086 -11.946 1.00 0.00 N ATOM 0 H ARG A 94 8.709 0.824 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 94 6.548 -1.039 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.367 -2.101 -7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.372 -0.404 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.788 -2.248 -8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.686 -1.850 -9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.196 0.649 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.690 -0.127 -8.132 1.00 0.00 H new ATOM 0 HE ARG A 94 9.273 -0.860 -10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.802 2.035 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.583 2.923 -10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.286 0.281 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.857 1.931 -12.295 1.00 0.00 H new ATOM 1448 N ILE A 95 8.066 -2.808 -4.943 1.00 0.00 N ATOM 1449 CA ILE A 95 8.900 -3.806 -4.302 1.00 0.00 C ATOM 1450 C ILE A 95 8.870 -5.013 -5.247 1.00 0.00 C ATOM 1451 O ILE A 95 7.780 -5.339 -5.724 1.00 0.00 O ATOM 1452 CB ILE A 95 8.262 -4.176 -2.934 1.00 0.00 C ATOM 1453 CG1 ILE A 95 7.817 -2.980 -2.052 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.252 -5.002 -2.099 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.506 -2.278 -2.444 1.00 0.00 C ATOM 0 H ILE A 95 7.071 -3.019 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 95 9.919 -3.464 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 95 7.362 -4.728 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.719 -3.333 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.615 -2.238 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.797 -5.257 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.506 -5.916 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.157 -4.420 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.309 -1.461 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.594 -1.881 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.685 -2.993 -2.406 1.00 0.00 H new ATOM 1467 N PRO A 96 9.971 -5.756 -5.442 1.00 0.00 N ATOM 1468 CA PRO A 96 9.973 -6.981 -6.231 1.00 0.00 C ATOM 1469 C PRO A 96 9.294 -8.098 -5.443 1.00 0.00 C ATOM 1470 O PRO A 96 9.362 -8.121 -4.211 1.00 0.00 O ATOM 1471 CB PRO A 96 11.454 -7.296 -6.466 1.00 0.00 C ATOM 1472 CG PRO A 96 12.139 -6.711 -5.237 1.00 0.00 C ATOM 1473 CD PRO A 96 11.311 -5.458 -4.973 1.00 0.00 C ATOM 0 HA PRO A 96 9.432 -6.880 -7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.628 -8.369 -6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.821 -6.840 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.117 -7.399 -4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.186 -6.475 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.306 -5.210 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.726 -4.598 -5.499 1.00 0.00 H new ATOM 1481 N TRP A 97 8.685 -9.066 -6.127 1.00 0.00 N ATOM 1482 CA TRP A 97 8.155 -10.241 -5.439 1.00 0.00 C ATOM 1483 C TRP A 97 9.228 -11.113 -4.772 1.00 0.00 C ATOM 1484 O TRP A 97 8.902 -11.891 -3.877 1.00 0.00 O ATOM 1485 CB TRP A 97 7.314 -11.078 -6.394 1.00 0.00 C ATOM 1486 CG TRP A 97 6.048 -10.431 -6.857 1.00 0.00 C ATOM 1487 CD1 TRP A 97 5.624 -10.413 -8.137 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.997 -9.772 -6.078 1.00 0.00 C ATOM 1489 NE1 TRP A 97 4.424 -9.743 -8.217 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.990 -9.322 -6.983 1.00 0.00 C ATOM 1491 CE3 TRP A 97 4.761 -9.539 -4.703 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.836 -8.648 -6.562 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 3.585 -8.907 -4.262 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.630 -8.454 -5.187 1.00 0.00 C ATOM 0 H TRP A 97 8.548 -9.061 -7.138 1.00 0.00 H new ATOM 0 HA TRP A 97 7.533 -9.859 -4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.919 -11.323 -7.267 1.00 0.00 H new ATOM 0 HB3 TRP A 97 7.065 -12.019 -5.904 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.146 -10.856 -8.972 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.918 -9.579 -9.087 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.498 -9.852 -3.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 2.118 -8.284 -7.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.415 -8.769 -3.204 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.737 -7.956 -4.840 1.00 0.00 H new ATOM 1505 N ASN A 98 10.504 -11.006 -5.153 1.00 0.00 N ATOM 1506 CA ASN A 98 11.549 -11.816 -4.525 1.00 0.00 C ATOM 1507 C ASN A 98 11.727 -11.492 -3.037 1.00 0.00 C ATOM 1508 O ASN A 98 12.073 -12.394 -2.271 1.00 0.00 O ATOM 1509 CB ASN A 98 12.896 -11.702 -5.260 1.00 0.00 C ATOM 1510 CG ASN A 98 13.850 -10.683 -4.634 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.743 -9.496 -4.919 1.00 0.00 O ATOM 1512 ND2 ASN A 98 14.787 -11.120 -3.806 1.00 0.00 N ATOM 0 H ASN A 98 10.834 -10.375 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 98 11.207 -12.848 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.378 -12.680 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.712 -11.425 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.444 -10.462 -3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.851 -12.114 -3.588 1.00 0.00 H new ATOM 1519 N ASP A 99 11.493 -10.246 -2.626 1.00 0.00 N ATOM 1520 CA ASP A 99 11.986 -9.695 -1.360 1.00 0.00 C ATOM 1521 C ASP A 99 10.811 -9.236 -0.490 1.00 0.00 C ATOM 1522 O ASP A 99 9.711 -9.038 -1.022 1.00 0.00 O ATOM 1523 CB ASP A 99 12.951 -8.525 -1.657 1.00 0.00 C ATOM 1524 CG ASP A 99 14.339 -8.649 -1.022 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.760 -9.766 -0.642 1.00 0.00 O ATOM 1526 OD2 ASP A 99 15.011 -7.599 -0.926 1.00 0.00 O ATOM 0 H ASP A 99 10.947 -9.579 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 99 12.527 -10.464 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.069 -8.438 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.492 -7.599 -1.311 1.00 0.00 H new ATOM 1531 N PRO A 100 10.986 -9.043 0.829 1.00 0.00 N ATOM 1532 CA PRO A 100 9.889 -8.638 1.690 1.00 0.00 C ATOM 1533 C PRO A 100 9.517 -7.178 1.446 1.00 0.00 C ATOM 1534 O PRO A 100 10.294 -6.381 0.905 1.00 0.00 O ATOM 1535 CB PRO A 100 10.377 -8.861 3.121 1.00 0.00 C ATOM 1536 CG PRO A 100 11.874 -8.607 2.989 1.00 0.00 C ATOM 1537 CD PRO A 100 12.210 -9.167 1.608 1.00 0.00 C ATOM 0 HA PRO A 100 8.986 -9.216 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.907 -8.173 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.164 -9.871 3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.109 -7.545 3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.437 -9.111 3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.026 -8.611 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.530 -10.207 1.673 1.00 0.00 H new ATOM 1545 N VAL A 101 8.313 -6.835 1.888 1.00 0.00 N ATOM 1546 CA VAL A 101 7.784 -5.484 1.846 1.00 0.00 C ATOM 1547 C VAL A 101 8.199 -4.797 3.154 1.00 0.00 C ATOM 1548 O VAL A 101 8.064 -5.363 4.238 1.00 0.00 O ATOM 1549 CB VAL A 101 6.267 -5.571 1.581 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.584 -4.204 1.600 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.023 -6.201 0.197 1.00 0.00 C ATOM 0 H VAL A 101 7.664 -7.508 2.295 1.00 0.00 H new ATOM 0 HA VAL A 101 8.181 -4.870 1.038 1.00 0.00 H new ATOM 0 HB VAL A 101 5.843 -6.178 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.518 -4.327 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.725 -3.740 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.021 -3.568 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.951 -6.263 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.491 -5.585 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.454 -7.202 0.172 1.00 0.00 H new ATOM 1561 N HIS A 102 8.763 -3.591 3.048 1.00 0.00 N ATOM 1562 CA HIS A 102 9.285 -2.808 4.160 1.00 0.00 C ATOM 1563 C HIS A 102 8.115 -2.141 4.909 1.00 0.00 C ATOM 1564 O HIS A 102 7.713 -1.021 4.568 1.00 0.00 O ATOM 1565 CB HIS A 102 10.358 -1.803 3.647 1.00 0.00 C ATOM 1566 CG HIS A 102 11.790 -2.173 4.007 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.464 -1.605 5.051 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.597 -3.181 3.540 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.536 -2.329 5.340 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.703 -3.271 4.403 1.00 0.00 N ATOM 0 H HIS A 102 8.870 -3.120 2.150 1.00 0.00 H new ATOM 0 HA HIS A 102 9.793 -3.450 4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.277 -1.726 2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.138 -0.816 4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.415 -3.793 2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.175 -2.182 6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.481 -3.926 4.330 1.00 0.00 H new ATOM 1578 N TYR A 103 7.542 -2.823 5.910 1.00 0.00 N ATOM 1579 CA TYR A 103 6.417 -2.337 6.711 1.00 0.00 C ATOM 1580 C TYR A 103 6.795 -1.138 7.588 1.00 0.00 C ATOM 1581 O TYR A 103 5.957 -0.282 7.846 1.00 0.00 O ATOM 1582 CB TYR A 103 5.850 -3.451 7.605 1.00 0.00 C ATOM 1583 CG TYR A 103 4.964 -4.497 6.946 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.960 -4.733 5.556 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.090 -5.227 7.769 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.073 -5.676 5.007 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.182 -6.148 7.231 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.164 -6.366 5.840 1.00 0.00 C ATOM 1589 OH TYR A 103 2.263 -7.236 5.310 1.00 0.00 O ATOM 0 H TYR A 103 7.858 -3.751 6.190 1.00 0.00 H new ATOM 0 HA TYR A 103 5.658 -2.014 5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.689 -3.967 8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.278 -2.982 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.637 -4.190 4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.119 -5.075 8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.087 -5.873 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.503 -6.685 7.876 1.00 0.00 H new ATOM 0 HH TYR A 103 1.718 -7.621 6.028 1.00 0.00 H new ATOM 1599 N GLU A 104 8.036 -1.046 8.059 1.00 0.00 N ATOM 1600 CA GLU A 104 8.553 0.090 8.823 1.00 0.00 C ATOM 1601 C GLU A 104 8.445 1.375 7.982 1.00 0.00 C ATOM 1602 O GLU A 104 7.812 2.324 8.438 1.00 0.00 O ATOM 1603 CB GLU A 104 9.978 -0.272 9.310 1.00 0.00 C ATOM 1604 CG GLU A 104 10.555 0.347 10.580 1.00 0.00 C ATOM 1605 CD GLU A 104 11.106 -0.779 11.476 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.248 -1.267 11.279 1.00 0.00 O ATOM 1607 OE2 GLU A 104 10.315 -1.297 12.295 1.00 0.00 O ATOM 0 H GLU A 104 8.730 -1.779 7.917 1.00 0.00 H new ATOM 0 HA GLU A 104 7.964 0.298 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.006 -1.354 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.664 -0.032 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.348 1.052 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.785 0.908 11.110 1.00 0.00 H new ATOM 1614 N LEU A 105 8.931 1.416 6.728 1.00 0.00 N ATOM 1615 CA LEU A 105 8.811 2.640 5.930 1.00 0.00 C ATOM 1616 C LEU A 105 7.366 2.911 5.573 1.00 0.00 C ATOM 1617 O LEU A 105 6.936 4.062 5.621 1.00 0.00 O ATOM 1618 CB LEU A 105 9.623 2.553 4.636 1.00 0.00 C ATOM 1619 CG LEU A 105 11.063 3.013 4.884 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.032 2.199 4.038 1.00 0.00 C ATOM 1621 CD2 LEU A 105 11.193 4.511 4.581 1.00 0.00 C ATOM 0 H LEU A 105 9.397 0.638 6.260 1.00 0.00 H new ATOM 0 HA LEU A 105 9.202 3.453 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.620 1.528 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.163 3.173 3.867 1.00 0.00 H new ATOM 0 HG LEU A 105 11.314 2.851 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.051 2.537 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.946 1.144 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.794 2.332 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.220 4.831 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.932 4.695 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.520 5.073 5.229 1.00 0.00 H new ATOM 1633 N LEU A 106 6.625 1.858 5.215 1.00 0.00 N ATOM 1634 CA LEU A 106 5.200 1.940 4.924 1.00 0.00 C ATOM 1635 C LEU A 106 4.500 2.668 6.062 1.00 0.00 C ATOM 1636 O LEU A 106 3.760 3.618 5.814 1.00 0.00 O ATOM 1637 CB LEU A 106 4.610 0.531 4.778 1.00 0.00 C ATOM 1638 CG LEU A 106 4.383 0.082 3.332 1.00 0.00 C ATOM 1639 CD1 LEU A 106 4.503 -1.434 3.206 1.00 0.00 C ATOM 1640 CD2 LEU A 106 2.975 0.461 2.879 1.00 0.00 C ATOM 0 H LEU A 106 7.007 0.917 5.120 1.00 0.00 H new ATOM 0 HA LEU A 106 5.054 2.483 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.277 -0.180 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.659 0.492 5.310 1.00 0.00 H new ATOM 0 HG LEU A 106 5.138 0.573 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.338 -1.727 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.500 -1.747 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.758 -1.912 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.825 0.137 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.242 -0.025 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.852 1.542 2.941 1.00 0.00 H new ATOM 1652 N LYS A 107 4.767 2.229 7.296 1.00 0.00 N ATOM 1653 CA LYS A 107 4.245 2.811 8.516 1.00 0.00 C ATOM 1654 C LYS A 107 4.653 4.274 8.611 1.00 0.00 C ATOM 1655 O LYS A 107 3.795 5.141 8.758 1.00 0.00 O ATOM 1656 CB LYS A 107 4.724 1.981 9.721 1.00 0.00 C ATOM 1657 CG LYS A 107 4.281 2.651 11.020 1.00 0.00 C ATOM 1658 CD LYS A 107 4.185 1.706 12.217 1.00 0.00 C ATOM 1659 CE LYS A 107 5.509 1.028 12.556 1.00 0.00 C ATOM 1660 NZ LYS A 107 6.521 1.986 13.050 1.00 0.00 N ATOM 0 H LYS A 107 5.376 1.429 7.469 1.00 0.00 H new ATOM 0 HA LYS A 107 3.155 2.787 8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.316 0.972 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.810 1.888 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.982 3.451 11.259 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.308 3.116 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.838 2.265 13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.436 0.942 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.339 0.261 13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.893 0.522 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.391 1.474 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.730 2.684 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.154 2.475 13.891 1.00 0.00 H new ATOM 1674 N GLN A 108 5.950 4.554 8.535 1.00 0.00 N ATOM 1675 CA GLN A 108 6.469 5.891 8.755 1.00 0.00 C ATOM 1676 C GLN A 108 5.870 6.894 7.768 1.00 0.00 C ATOM 1677 O GLN A 108 5.609 8.028 8.157 1.00 0.00 O ATOM 1678 CB GLN A 108 8.001 5.842 8.651 1.00 0.00 C ATOM 1679 CG GLN A 108 8.598 5.099 9.852 1.00 0.00 C ATOM 1680 CD GLN A 108 10.014 4.604 9.584 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.283 3.412 9.469 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.964 5.503 9.464 1.00 0.00 N ATOM 0 H GLN A 108 6.666 3.860 8.320 1.00 0.00 H new ATOM 0 HA GLN A 108 6.184 6.233 9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.293 5.344 7.726 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.401 6.855 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.605 5.761 10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.961 4.251 10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.743 6.494 9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.923 5.210 9.276 1.00 0.00 H new ATOM 1691 N MET A 109 5.615 6.497 6.517 1.00 0.00 N ATOM 1692 CA MET A 109 5.058 7.405 5.526 1.00 0.00 C ATOM 1693 C MET A 109 3.529 7.453 5.526 1.00 0.00 C ATOM 1694 O MET A 109 2.988 8.310 4.830 1.00 0.00 O ATOM 1695 CB MET A 109 5.651 7.126 4.139 1.00 0.00 C ATOM 1696 CG MET A 109 5.083 5.891 3.444 1.00 0.00 C ATOM 1697 SD MET A 109 5.882 5.560 1.852 1.00 0.00 S ATOM 1698 CE MET A 109 7.482 4.915 2.406 1.00 0.00 C ATOM 0 H MET A 109 5.788 5.552 6.173 1.00 0.00 H new ATOM 0 HA MET A 109 5.357 8.412 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.481 7.995 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.730 7.008 4.236 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.204 5.025 4.094 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.013 6.026 3.288 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.283 5.539 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.520 4.924 3.495 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.607 3.893 2.047 1.00 0.00 H new ATOM 1708 N ILE A 110 2.814 6.613 6.282 1.00 0.00 N ATOM 1709 CA ILE A 110 1.371 6.734 6.432 1.00 0.00 C ATOM 1710 C ILE A 110 1.060 7.498 7.725 1.00 0.00 C ATOM 1711 O ILE A 110 0.409 8.537 7.648 1.00 0.00 O ATOM 1712 CB ILE A 110 0.704 5.353 6.245 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.799 5.446 5.953 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.957 4.329 7.351 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.684 5.857 7.130 1.00 0.00 C ATOM 0 H ILE A 110 3.222 5.836 6.802 1.00 0.00 H new ATOM 0 HA ILE A 110 0.919 7.341 5.648 1.00 0.00 H new ATOM 0 HB ILE A 110 1.219 4.970 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.949 6.161 5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.139 4.477 5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.440 3.400 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.027 4.138 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.585 4.718 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.725 5.890 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.576 5.132 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.383 6.842 7.485 1.00 0.00 H new ATOM 1727 N GLU A 111 1.581 7.058 8.878 1.00 0.00 N ATOM 1728 CA GLU A 111 1.334 7.656 10.198 1.00 0.00 C ATOM 1729 C GLU A 111 1.641 9.145 10.154 1.00 0.00 C ATOM 1730 O GLU A 111 0.802 9.962 10.531 1.00 0.00 O ATOM 1731 CB GLU A 111 2.204 6.979 11.270 1.00 0.00 C ATOM 1732 CG GLU A 111 2.039 5.469 11.437 1.00 0.00 C ATOM 1733 CD GLU A 111 1.380 5.026 12.740 1.00 0.00 C ATOM 1734 OE1 GLU A 111 0.235 5.451 13.014 1.00 0.00 O ATOM 1735 OE2 GLU A 111 2.052 4.243 13.454 1.00 0.00 O ATOM 0 H GLU A 111 2.205 6.252 8.920 1.00 0.00 H new ATOM 0 HA GLU A 111 0.285 7.508 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.249 7.183 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.992 7.452 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.448 5.090 10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.022 5.003 11.369 1.00 0.00 H new ATOM 1742 N PHE A 112 2.812 9.489 9.607 1.00 0.00 N ATOM 1743 CA PHE A 112 3.237 10.864 9.471 1.00 0.00 C ATOM 1744 C PHE A 112 2.171 11.691 8.767 1.00 0.00 C ATOM 1745 O PHE A 112 1.882 12.801 9.193 1.00 0.00 O ATOM 1746 CB PHE A 112 4.528 10.948 8.640 1.00 0.00 C ATOM 1747 CG PHE A 112 4.935 12.382 8.365 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.316 13.196 9.440 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.792 12.946 7.081 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.543 14.561 9.230 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.025 14.318 6.868 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.391 15.131 7.953 1.00 0.00 C ATOM 0 H PHE A 112 3.485 8.811 9.249 1.00 0.00 H new ATOM 0 HA PHE A 112 3.408 11.254 10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.333 10.438 9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.385 10.424 7.695 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.434 12.772 10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.501 12.319 6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.839 15.185 10.060 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.923 14.741 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.555 16.189 7.808 1.00 0.00 H new ATOM 1762 N ASN A 113 1.613 11.178 7.673 1.00 0.00 N ATOM 1763 CA ASN A 113 0.731 11.973 6.840 1.00 0.00 C ATOM 1764 C ASN A 113 -0.594 12.243 7.548 1.00 0.00 C ATOM 1765 O ASN A 113 -1.137 13.332 7.423 1.00 0.00 O ATOM 1766 CB ASN A 113 0.510 11.289 5.494 1.00 0.00 C ATOM 1767 CG ASN A 113 0.383 12.354 4.416 1.00 0.00 C ATOM 1768 OD1 ASN A 113 -0.603 13.071 4.323 1.00 0.00 O ATOM 1769 ND2 ASN A 113 1.420 12.526 3.615 1.00 0.00 N ATOM 0 H ASN A 113 1.758 10.222 7.349 1.00 0.00 H new ATOM 0 HA ASN A 113 1.207 12.936 6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.342 10.622 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.390 10.676 5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.403 13.263 2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.237 11.922 3.702 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.081 11.284 8.344 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.250 11.470 9.200 1.00 0.00 C ATOM 1778 C ILE A 114 -1.964 12.628 10.167 1.00 0.00 C ATOM 1779 O ILE A 114 -2.769 13.555 10.252 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.599 10.154 9.941 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.998 9.043 8.934 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.747 10.362 10.946 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.254 7.638 9.517 1.00 0.00 C ATOM 0 H ILE A 114 -0.670 10.353 8.410 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.124 11.725 8.601 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.706 9.846 10.486 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.900 9.364 8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.209 8.962 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.966 9.420 11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.453 11.107 11.685 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.636 10.707 10.417 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.524 6.954 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.351 7.279 10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.068 7.687 10.240 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.831 12.590 10.887 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.530 13.630 11.882 1.00 0.00 C ATOM 1797 C GLN A 115 -0.155 14.970 11.238 1.00 0.00 C ATOM 1798 O GLN A 115 -0.127 16.000 11.914 1.00 0.00 O ATOM 1799 CB GLN A 115 0.531 13.147 12.892 1.00 0.00 C ATOM 1800 CG GLN A 115 1.885 12.823 12.269 1.00 0.00 C ATOM 1801 CD GLN A 115 2.950 12.492 13.306 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.222 11.324 13.583 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.583 13.493 13.891 1.00 0.00 N ATOM 0 H GLN A 115 -0.120 11.864 10.801 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.448 13.815 12.440 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.668 13.915 13.653 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.155 12.259 13.400 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.773 11.979 11.588 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.217 13.672 11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.347 14.456 13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.308 13.303 14.583 1.00 0.00 H new ATOM 1812 N ASP A 116 0.151 14.954 9.944 1.00 0.00 N ATOM 1813 CA ASP A 116 0.475 16.131 9.131 1.00 0.00 C ATOM 1814 C ASP A 116 -0.805 16.846 8.677 1.00 0.00 C ATOM 1815 O ASP A 116 -0.890 18.072 8.694 1.00 0.00 O ATOM 1816 CB ASP A 116 1.328 15.687 7.937 1.00 0.00 C ATOM 1817 CG ASP A 116 1.824 16.845 7.084 1.00 0.00 C ATOM 1818 OD1 ASP A 116 2.726 17.582 7.547 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.390 16.948 5.914 1.00 0.00 O ATOM 0 H ASP A 116 0.182 14.087 9.407 1.00 0.00 H new ATOM 0 HA ASP A 116 1.044 16.846 9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.185 15.122 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.743 15.011 7.314 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.833 16.064 8.350 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.144 16.474 7.840 1.00 0.00 C ATOM 1826 C LYS A 117 -4.146 16.708 8.971 1.00 0.00 C ATOM 1827 O LYS A 117 -5.352 16.567 8.765 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.634 15.404 6.838 1.00 0.00 C ATOM 1829 CG LYS A 117 -2.811 15.448 5.545 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.278 16.562 4.599 1.00 0.00 C ATOM 1831 CE LYS A 117 -4.101 15.997 3.441 1.00 0.00 C ATOM 1832 NZ LYS A 117 -3.314 15.775 2.206 1.00 0.00 N ATOM 0 H LYS A 117 -1.768 15.050 8.441 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.053 17.431 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.557 14.415 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.687 15.569 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.760 15.599 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -2.885 14.487 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.875 17.286 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.412 17.096 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.548 15.053 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.921 16.681 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.771 16.265 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.352 16.147 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.266 14.756 2.003 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.670 16.989 10.177 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.473 17.473 11.287 1.00 0.00 C ATOM 1848 C GLU A 118 -5.157 18.775 10.873 1.00 0.00 C ATOM 1849 O GLU A 118 -6.335 18.959 11.240 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.543 17.679 12.492 1.00 0.00 C ATOM 1851 CG GLU A 118 -3.610 16.585 13.571 1.00 0.00 C ATOM 1852 CD GLU A 118 -4.949 16.475 14.327 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -5.479 17.490 14.854 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -5.421 15.327 14.513 1.00 0.00 O ATOM 0 H GLU A 118 -2.684 16.882 10.415 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.250 16.759 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.517 17.747 12.130 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.782 18.637 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.398 15.624 13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.818 16.767 14.297 1.00 0.00 H new