USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 26 TYR OH : rot 14:sc= 0.484 USER MOD Set 1.2: A 49 SER OG : rot 84:sc= 1.64 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 18 ASN : amide:sc= -0.69 K(o=-0.54,f=-8.9!) USER MOD Set 3.2: A 20 GLN : amide:sc= 0.15 K(o=-0.54,f=-7.4!) USER MOD Set 4.1: A 14 SER OG : rot -123:sc= 0.977 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.76 USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.099 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 6:sc= 1.96 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0.969 (180deg=0.96) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.656 K(o=0.66,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 104:sc= 1.28 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.076) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0.846 (180deg=0.846) USER MOD Single : A 64 TYR OH : rot -28:sc= 0.129 USER MOD Single : A 66 GLN : amide:sc= -0.0875 X(o=-0.087,f=-0.12) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -34:sc= 1.28 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.358 -15.139 -7.030 1.00 0.00 N ATOM 2 CA SER A 1 -5.900 -15.117 -7.011 1.00 0.00 C ATOM 3 C SER A 1 -5.371 -13.689 -6.990 1.00 0.00 C ATOM 4 O SER A 1 -6.143 -12.731 -6.972 1.00 0.00 O ATOM 5 CB SER A 1 -5.351 -15.851 -8.219 1.00 0.00 C ATOM 6 OG SER A 1 -5.608 -15.140 -9.399 1.00 0.00 O ATOM 0 H1 SER A 1 -7.709 -15.643 -6.190 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.720 -14.164 -7.025 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.687 -15.626 -7.888 1.00 0.00 H new ATOM 0 HA SER A 1 -5.568 -15.618 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.277 -15.995 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.801 -16.842 -8.282 1.00 0.00 H new ATOM 0 HG SER A 1 -5.243 -15.632 -10.164 1.00 0.00 H new ATOM 11 N VAL A 2 -4.049 -13.553 -6.992 1.00 0.00 N ATOM 12 CA VAL A 2 -3.413 -12.241 -6.960 1.00 0.00 C ATOM 13 C VAL A 2 -2.723 -11.931 -8.282 1.00 0.00 C ATOM 14 O VAL A 2 -1.627 -12.423 -8.551 1.00 0.00 O ATOM 15 CB VAL A 2 -2.383 -12.173 -5.818 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.726 -10.802 -5.773 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.057 -12.493 -4.493 1.00 0.00 C ATOM 0 H VAL A 2 -3.396 -14.337 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.194 -11.499 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.604 -12.913 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.001 -10.772 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.219 -10.610 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.487 -10.039 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.322 -12.443 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.851 -11.770 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.482 -13.496 -4.534 1.00 0.00 H new ATOM 27 N LYS A 3 -3.371 -11.113 -9.104 1.00 0.00 N ATOM 28 CA LYS A 3 -2.841 -10.770 -10.419 1.00 0.00 C ATOM 29 C LYS A 3 -1.617 -9.872 -10.303 1.00 0.00 C ATOM 30 O LYS A 3 -0.529 -10.226 -10.760 1.00 0.00 O ATOM 31 CB LYS A 3 -3.914 -10.089 -11.268 1.00 0.00 C ATOM 32 CG LYS A 3 -3.461 -9.715 -12.674 1.00 0.00 C ATOM 33 CD LYS A 3 -4.606 -9.126 -13.485 1.00 0.00 C ATOM 34 CE LYS A 3 -4.134 -8.670 -14.858 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.251 -8.123 -15.676 1.00 0.00 N ATOM 0 H LYS A 3 -4.265 -10.675 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.538 -11.696 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.776 -10.751 -11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.248 -9.187 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.645 -8.994 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.071 -10.598 -13.180 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.395 -9.870 -13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.038 -8.282 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.362 -7.909 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.678 -9.510 -15.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.871 -7.716 -16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.917 -8.887 -15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.746 -7.384 -15.138 1.00 0.00 H new ATOM 49 N GLU A 4 -1.798 -8.709 -9.688 1.00 0.00 N ATOM 50 CA GLU A 4 -0.712 -7.751 -9.522 1.00 0.00 C ATOM 51 C GLU A 4 -0.304 -7.628 -8.060 1.00 0.00 C ATOM 52 O GLU A 4 -1.137 -7.738 -7.161 1.00 0.00 O ATOM 53 CB GLU A 4 -1.122 -6.379 -10.064 1.00 0.00 C ATOM 54 CG GLU A 4 -1.376 -6.346 -11.565 1.00 0.00 C ATOM 55 CD GLU A 4 -1.761 -4.981 -12.063 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.955 -4.106 -11.253 1.00 0.00 O ATOM 57 OE2 GLU A 4 -1.861 -4.813 -13.255 1.00 0.00 O ATOM 0 H GLU A 4 -2.689 -8.406 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 4 0.144 -8.118 -10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.025 -6.053 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.340 -5.659 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.479 -6.678 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.168 -7.053 -11.810 1.00 0.00 H new ATOM 64 N THR A 5 0.985 -7.400 -7.828 1.00 0.00 N ATOM 65 CA THR A 5 1.515 -7.307 -6.473 1.00 0.00 C ATOM 66 C THR A 5 2.160 -5.950 -6.227 1.00 0.00 C ATOM 67 O THR A 5 2.813 -5.739 -5.204 1.00 0.00 O ATOM 68 CB THR A 5 2.538 -8.424 -6.200 1.00 0.00 C ATOM 69 OG1 THR A 5 3.620 -8.324 -7.135 1.00 0.00 O ATOM 70 CG2 THR A 5 1.884 -9.791 -6.332 1.00 0.00 C ATOM 0 H THR A 5 1.682 -7.276 -8.562 1.00 0.00 H new ATOM 0 HA THR A 5 0.675 -7.425 -5.789 1.00 0.00 H new ATOM 0 HB THR A 5 2.915 -8.310 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.271 -9.035 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.623 -10.568 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.069 -9.875 -5.613 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.491 -9.911 -7.342 1.00 0.00 H new ATOM 78 N LYS A 6 1.976 -5.032 -7.169 1.00 0.00 N ATOM 79 CA LYS A 6 2.623 -3.727 -7.105 1.00 0.00 C ATOM 80 C LYS A 6 2.310 -3.021 -5.792 1.00 0.00 C ATOM 81 O LYS A 6 3.213 -2.558 -5.094 1.00 0.00 O ATOM 82 CB LYS A 6 2.189 -2.856 -8.286 1.00 0.00 C ATOM 83 CG LYS A 6 2.814 -1.467 -8.306 1.00 0.00 C ATOM 84 CD LYS A 6 2.376 -0.682 -9.532 1.00 0.00 C ATOM 85 CE LYS A 6 2.965 0.722 -9.531 1.00 0.00 C ATOM 86 NZ LYS A 6 2.580 1.487 -10.748 1.00 0.00 N ATOM 0 H LYS A 6 1.383 -5.168 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 6 3.700 -3.886 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.444 -3.369 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.104 -2.753 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.530 -0.925 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.900 -1.555 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.688 -1.209 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.288 -0.622 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.626 1.257 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.052 0.660 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.001 2.437 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.925 0.990 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.544 1.569 -10.793 1.00 0.00 H new ATOM 100 N LEU A 7 1.026 -2.942 -5.459 1.00 0.00 N ATOM 101 CA LEU A 7 0.582 -2.201 -4.284 1.00 0.00 C ATOM 102 C LEU A 7 1.033 -2.885 -3.000 1.00 0.00 C ATOM 103 O LEU A 7 1.327 -2.224 -2.004 1.00 0.00 O ATOM 104 CB LEU A 7 -0.945 -2.064 -4.289 1.00 0.00 C ATOM 105 CG LEU A 7 -1.538 -1.264 -5.456 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.049 -1.174 -5.296 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.908 0.120 -5.495 1.00 0.00 C ATOM 0 H LEU A 7 0.273 -3.383 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 7 1.034 -1.210 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.381 -3.063 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.252 -1.592 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.322 -1.766 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.469 -0.605 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.475 -2.177 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.286 -0.675 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.329 0.688 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.112 0.639 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.169 0.026 -5.630 1.00 0.00 H new ATOM 119 N TYR A 8 1.085 -4.213 -3.029 1.00 0.00 N ATOM 120 CA TYR A 8 1.571 -4.985 -1.892 1.00 0.00 C ATOM 121 C TYR A 8 3.055 -4.741 -1.654 1.00 0.00 C ATOM 122 O TYR A 8 3.511 -4.691 -0.512 1.00 0.00 O ATOM 123 CB TYR A 8 1.307 -6.477 -2.108 1.00 0.00 C ATOM 124 CG TYR A 8 -0.159 -6.849 -2.074 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.776 -7.342 -3.214 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.886 -6.696 -0.902 1.00 0.00 C ATOM 127 CE1 TYR A 8 -2.114 -7.681 -3.183 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.224 -7.036 -0.871 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.838 -7.526 -2.006 1.00 0.00 C ATOM 130 OH TYR A 8 -4.172 -7.865 -1.975 1.00 0.00 O ATOM 0 H TYR A 8 0.796 -4.777 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 8 1.028 -4.655 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.726 -6.775 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.834 -7.044 -1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.210 -7.461 -4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.406 -6.311 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.597 -8.065 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.790 -6.919 0.041 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.425 -8.278 -2.827 1.00 0.00 H new ATOM 140 N ASP A 9 3.806 -4.587 -2.739 1.00 0.00 N ATOM 141 CA ASP A 9 5.238 -4.322 -2.650 1.00 0.00 C ATOM 142 C ASP A 9 5.507 -2.919 -2.123 1.00 0.00 C ATOM 143 O ASP A 9 6.482 -2.690 -1.407 1.00 0.00 O ATOM 144 CB ASP A 9 5.902 -4.496 -4.017 1.00 0.00 C ATOM 145 CG ASP A 9 5.989 -5.953 -4.453 1.00 0.00 C ATOM 146 OD1 ASP A 9 5.841 -6.813 -3.617 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.204 -6.192 -5.618 1.00 0.00 O ATOM 0 H ASP A 9 3.447 -4.641 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 9 5.664 -5.041 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.341 -3.932 -4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.905 -4.071 -3.985 1.00 0.00 H new ATOM 152 N LEU A 10 4.635 -1.982 -2.480 1.00 0.00 N ATOM 153 CA LEU A 10 4.735 -0.614 -1.986 1.00 0.00 C ATOM 154 C LEU A 10 4.591 -0.564 -0.470 1.00 0.00 C ATOM 155 O LEU A 10 5.272 0.210 0.203 1.00 0.00 O ATOM 156 CB LEU A 10 3.660 0.265 -2.637 1.00 0.00 C ATOM 157 CG LEU A 10 3.869 0.581 -4.124 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.651 1.316 -4.663 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.131 1.414 -4.294 1.00 0.00 C ATOM 0 H LEU A 10 3.850 -2.146 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 10 5.722 -0.234 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.695 -0.228 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.605 1.206 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 10 3.990 -0.344 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.799 1.540 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.767 0.690 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.513 2.245 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.279 1.638 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.030 2.345 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.989 0.856 -3.918 1.00 0.00 H new ATOM 171 N LEU A 11 3.701 -1.395 0.062 1.00 0.00 N ATOM 172 CA LEU A 11 3.509 -1.490 1.505 1.00 0.00 C ATOM 173 C LEU A 11 4.518 -2.441 2.133 1.00 0.00 C ATOM 174 O LEU A 11 4.823 -2.342 3.321 1.00 0.00 O ATOM 175 CB LEU A 11 2.085 -1.964 1.818 1.00 0.00 C ATOM 176 CG LEU A 11 0.956 -1.036 1.353 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.389 -1.635 1.744 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.142 0.340 1.974 1.00 0.00 C ATOM 0 H LEU A 11 3.101 -2.013 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 11 3.662 -0.498 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.939 -2.942 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.996 -2.101 2.896 1.00 0.00 H new ATOM 0 HG LEU A 11 0.983 -0.931 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.191 -0.975 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.504 -2.611 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.436 -1.748 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.340 1.000 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.118 0.255 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.102 0.753 1.664 1.00 0.00 H new ATOM 190 N GLY A 12 5.034 -3.365 1.328 1.00 0.00 N ATOM 191 CA GLY A 12 6.079 -4.275 1.778 1.00 0.00 C ATOM 192 C GLY A 12 5.495 -5.434 2.577 1.00 0.00 C ATOM 193 O GLY A 12 6.027 -5.812 3.620 1.00 0.00 O ATOM 0 H GLY A 12 4.744 -3.502 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.624 -4.662 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.798 -3.732 2.392 1.00 0.00 H new ATOM 197 N VAL A 13 4.396 -5.993 2.080 1.00 0.00 N ATOM 198 CA VAL A 13 3.690 -7.054 2.788 1.00 0.00 C ATOM 199 C VAL A 13 3.076 -8.052 1.814 1.00 0.00 C ATOM 200 O VAL A 13 2.603 -7.677 0.742 1.00 0.00 O ATOM 201 CB VAL A 13 2.581 -6.458 3.675 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.567 -5.706 2.825 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.904 -7.563 4.471 1.00 0.00 C ATOM 0 H VAL A 13 3.975 -5.728 1.189 1.00 0.00 H new ATOM 0 HA VAL A 13 4.416 -7.576 3.412 1.00 0.00 H new ATOM 0 HB VAL A 13 3.028 -5.750 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.790 -5.291 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.067 -4.897 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.116 -6.390 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.121 -7.134 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.465 -8.288 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.640 -8.060 5.102 1.00 0.00 H new ATOM 213 N SER A 14 3.087 -9.325 2.194 1.00 0.00 N ATOM 214 CA SER A 14 2.585 -10.387 1.331 1.00 0.00 C ATOM 215 C SER A 14 1.117 -10.169 0.986 1.00 0.00 C ATOM 216 O SER A 14 0.320 -9.778 1.840 1.00 0.00 O ATOM 217 CB SER A 14 2.761 -11.734 2.004 1.00 0.00 C ATOM 218 OG SER A 14 2.156 -12.753 1.255 1.00 0.00 O ATOM 0 H SER A 14 3.439 -9.647 3.096 1.00 0.00 H new ATOM 0 HA SER A 14 3.160 -10.368 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.823 -11.948 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.326 -11.705 3.003 1.00 0.00 H new ATOM 0 HG SER A 14 1.499 -13.221 1.811 1.00 0.00 H new ATOM 224 N PRO A 15 0.765 -10.423 -0.269 1.00 0.00 N ATOM 225 CA PRO A 15 -0.623 -10.337 -0.710 1.00 0.00 C ATOM 226 C PRO A 15 -1.526 -11.219 0.143 1.00 0.00 C ATOM 227 O PRO A 15 -2.710 -10.932 0.310 1.00 0.00 O ATOM 228 CB PRO A 15 -0.556 -10.828 -2.159 1.00 0.00 C ATOM 229 CG PRO A 15 0.840 -10.526 -2.584 1.00 0.00 C ATOM 230 CD PRO A 15 1.673 -10.805 -1.361 1.00 0.00 C ATOM 0 HA PRO A 15 -1.044 -9.335 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.771 -11.894 -2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.283 -10.314 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.144 -11.152 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.942 -9.490 -2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.965 -11.853 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.591 -10.217 -1.351 1.00 0.00 H new ATOM 238 N SER A 16 -0.959 -12.295 0.677 1.00 0.00 N ATOM 239 CA SER A 16 -1.737 -13.285 1.414 1.00 0.00 C ATOM 240 C SER A 16 -2.063 -12.795 2.819 1.00 0.00 C ATOM 241 O SER A 16 -2.871 -13.398 3.524 1.00 0.00 O ATOM 242 CB SER A 16 -0.977 -14.595 1.489 1.00 0.00 C ATOM 243 OG SER A 16 0.167 -14.467 2.286 1.00 0.00 O ATOM 0 H SER A 16 0.037 -12.504 0.613 1.00 0.00 H new ATOM 0 HA SER A 16 -2.675 -13.441 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.624 -15.372 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.692 -14.912 0.486 1.00 0.00 H new ATOM 0 HG SER A 16 0.639 -15.325 2.320 1.00 0.00 H new ATOM 249 N ALA A 17 -1.430 -11.698 3.218 1.00 0.00 N ATOM 250 CA ALA A 17 -1.622 -11.148 4.555 1.00 0.00 C ATOM 251 C ALA A 17 -2.967 -10.443 4.673 1.00 0.00 C ATOM 252 O ALA A 17 -3.562 -10.049 3.670 1.00 0.00 O ATOM 253 CB ALA A 17 -0.491 -10.189 4.900 1.00 0.00 C ATOM 0 H ALA A 17 -0.779 -11.172 2.635 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.612 -11.976 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.648 -9.786 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.460 -10.721 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.474 -9.372 4.179 1.00 0.00 H new ATOM 259 N ASN A 18 -3.443 -10.288 5.904 1.00 0.00 N ATOM 260 CA ASN A 18 -4.745 -9.682 6.152 1.00 0.00 C ATOM 261 C ASN A 18 -4.649 -8.163 6.187 1.00 0.00 C ATOM 262 O ASN A 18 -3.582 -7.594 5.956 1.00 0.00 O ATOM 263 CB ASN A 18 -5.341 -10.209 7.445 1.00 0.00 C ATOM 264 CG ASN A 18 -4.580 -9.756 8.659 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.647 -8.951 8.557 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.960 -10.256 9.806 1.00 0.00 N ATOM 0 H ASN A 18 -2.945 -10.575 6.747 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.404 -9.956 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.376 -9.878 7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.356 -11.299 7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.481 -9.984 10.665 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.736 -10.918 9.842 1.00 0.00 H new ATOM 273 N GLU A 19 -5.769 -7.509 6.475 1.00 0.00 N ATOM 274 CA GLU A 19 -5.844 -6.055 6.421 1.00 0.00 C ATOM 275 C GLU A 19 -5.086 -5.421 7.579 1.00 0.00 C ATOM 276 O GLU A 19 -4.663 -4.267 7.500 1.00 0.00 O ATOM 277 CB GLU A 19 -7.303 -5.594 6.441 1.00 0.00 C ATOM 278 CG GLU A 19 -8.104 -5.990 5.208 1.00 0.00 C ATOM 279 CD GLU A 19 -8.567 -7.419 5.244 1.00 0.00 C ATOM 280 OE1 GLU A 19 -8.395 -8.054 6.258 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.092 -7.878 4.258 1.00 0.00 O ATOM 0 H GLU A 19 -6.639 -7.965 6.749 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.380 -5.733 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.790 -6.008 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.327 -4.509 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.971 -5.335 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.493 -5.834 4.319 1.00 0.00 H new ATOM 288 N GLN A 20 -4.918 -6.181 8.656 1.00 0.00 N ATOM 289 CA GLN A 20 -4.131 -5.729 9.798 1.00 0.00 C ATOM 290 C GLN A 20 -2.669 -5.532 9.416 1.00 0.00 C ATOM 291 O GLN A 20 -2.031 -4.570 9.843 1.00 0.00 O ATOM 292 CB GLN A 20 -4.240 -6.728 10.952 1.00 0.00 C ATOM 293 CG GLN A 20 -5.614 -6.790 11.596 1.00 0.00 C ATOM 294 CD GLN A 20 -5.719 -7.891 12.633 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.128 -8.964 12.482 1.00 0.00 O ATOM 296 NE2 GLN A 20 -6.474 -7.632 13.695 1.00 0.00 N ATOM 0 H GLN A 20 -5.317 -7.114 8.762 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.533 -4.768 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.979 -7.720 10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.506 -6.467 11.714 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.836 -5.831 12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.367 -6.949 10.824 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.945 -6.731 13.779 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.583 -8.334 14.427 1.00 0.00 H new ATOM 305 N GLU A 21 -2.145 -6.449 8.609 1.00 0.00 N ATOM 306 CA GLU A 21 -0.765 -6.362 8.147 1.00 0.00 C ATOM 307 C GLU A 21 -0.606 -5.280 7.087 1.00 0.00 C ATOM 308 O GLU A 21 0.446 -4.650 6.981 1.00 0.00 O ATOM 309 CB GLU A 21 -0.305 -7.710 7.586 1.00 0.00 C ATOM 310 CG GLU A 21 -0.244 -8.830 8.614 1.00 0.00 C ATOM 311 CD GLU A 21 0.692 -8.530 9.752 1.00 0.00 C ATOM 312 OE1 GLU A 21 1.802 -8.129 9.493 1.00 0.00 O ATOM 313 OE2 GLU A 21 0.297 -8.702 10.881 1.00 0.00 O ATOM 0 H GLU A 21 -2.656 -7.261 8.262 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.143 -6.098 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.981 -8.006 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.683 -7.587 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.244 -9.008 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.073 -9.750 8.123 1.00 0.00 H new ATOM 320 N LEU A 22 -1.658 -5.068 6.302 1.00 0.00 N ATOM 321 CA LEU A 22 -1.693 -3.964 5.350 1.00 0.00 C ATOM 322 C LEU A 22 -1.586 -2.621 6.060 1.00 0.00 C ATOM 323 O LEU A 22 -0.909 -1.709 5.584 1.00 0.00 O ATOM 324 CB LEU A 22 -2.989 -4.014 4.530 1.00 0.00 C ATOM 325 CG LEU A 22 -3.079 -5.146 3.499 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.472 -5.162 2.882 1.00 0.00 C ATOM 327 CD2 LEU A 22 -2.012 -4.950 2.432 1.00 0.00 C ATOM 0 H LEU A 22 -2.498 -5.647 6.307 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.837 -4.069 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.829 -4.106 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.105 -3.063 4.010 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.906 -6.106 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.536 -5.966 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.214 -5.323 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.663 -4.208 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.077 -5.755 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.167 -3.993 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.026 -4.961 2.897 1.00 0.00 H new ATOM 339 N LYS A 23 -2.258 -2.504 7.200 1.00 0.00 N ATOM 340 CA LYS A 23 -2.154 -1.311 8.032 1.00 0.00 C ATOM 341 C LYS A 23 -0.738 -1.134 8.567 1.00 0.00 C ATOM 342 O LYS A 23 -0.198 -0.028 8.569 1.00 0.00 O ATOM 343 CB LYS A 23 -3.149 -1.377 9.190 1.00 0.00 C ATOM 344 CG LYS A 23 -4.606 -1.211 8.778 1.00 0.00 C ATOM 345 CD LYS A 23 -5.539 -1.367 9.970 1.00 0.00 C ATOM 346 CE LYS A 23 -6.996 -1.222 9.555 1.00 0.00 C ATOM 347 NZ LYS A 23 -7.922 -1.397 10.708 1.00 0.00 N ATOM 0 H LYS A 23 -2.881 -3.222 7.569 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.393 -0.449 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.034 -2.335 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.898 -0.601 9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.749 -0.229 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.858 -1.950 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.385 -2.343 10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.297 -0.618 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.151 -0.239 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.230 -1.959 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.904 -1.291 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.793 -2.345 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.716 -0.678 11.431 1.00 0.00 H new ATOM 361 N LYS A 24 -0.142 -2.231 9.023 1.00 0.00 N ATOM 362 CA LYS A 24 1.231 -2.209 9.513 1.00 0.00 C ATOM 363 C LYS A 24 2.199 -1.769 8.423 1.00 0.00 C ATOM 364 O LYS A 24 3.080 -0.943 8.658 1.00 0.00 O ATOM 365 CB LYS A 24 1.631 -3.585 10.047 1.00 0.00 C ATOM 366 CG LYS A 24 0.927 -3.989 11.336 1.00 0.00 C ATOM 367 CD LYS A 24 1.326 -5.392 11.769 1.00 0.00 C ATOM 368 CE LYS A 24 0.495 -5.866 12.952 1.00 0.00 C ATOM 369 NZ LYS A 24 0.811 -7.270 13.328 1.00 0.00 N ATOM 0 H LYS A 24 -0.589 -3.147 9.063 1.00 0.00 H new ATOM 0 HA LYS A 24 1.282 -1.485 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.421 -4.333 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.708 -3.597 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.174 -3.279 12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.153 -3.944 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.200 -6.082 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.383 -5.405 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.674 -5.213 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.564 -5.786 12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.188 -7.570 14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.664 -7.891 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.802 -7.332 13.636 1.00 0.00 H new ATOM 383 N GLY A 25 2.030 -2.327 7.229 1.00 0.00 N ATOM 384 CA GLY A 25 2.896 -2.001 6.102 1.00 0.00 C ATOM 385 C GLY A 25 2.834 -0.515 5.771 1.00 0.00 C ATOM 386 O GLY A 25 3.862 0.123 5.539 1.00 0.00 O ATOM 0 H GLY A 25 1.301 -3.008 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.923 -2.282 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.597 -2.583 5.230 1.00 0.00 H new ATOM 390 N TYR A 26 1.623 0.031 5.749 1.00 0.00 N ATOM 391 CA TYR A 26 1.426 1.444 5.448 1.00 0.00 C ATOM 392 C TYR A 26 2.086 2.328 6.498 1.00 0.00 C ATOM 393 O TYR A 26 2.771 3.296 6.167 1.00 0.00 O ATOM 394 CB TYR A 26 -0.067 1.765 5.346 1.00 0.00 C ATOM 395 CG TYR A 26 -0.359 3.220 5.051 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.138 3.806 3.896 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.124 3.967 5.933 1.00 0.00 C ATOM 398 CE1 TYR A 26 -0.128 5.135 3.626 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.391 5.295 5.664 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.896 5.879 4.515 1.00 0.00 C ATOM 401 OH TYR A 26 -1.162 7.202 4.246 1.00 0.00 O ATOM 0 H TYR A 26 0.763 -0.484 5.936 1.00 0.00 H new ATOM 0 HA TYR A 26 1.898 1.651 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.509 1.149 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.553 1.489 6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.733 3.224 3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.512 3.510 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.259 5.594 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.987 5.876 6.352 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.938 7.397 3.312 1.00 0.00 H new ATOM 411 N ARG A 27 1.874 1.991 7.766 1.00 0.00 N ATOM 412 CA ARG A 27 2.438 2.762 8.869 1.00 0.00 C ATOM 413 C ARG A 27 3.958 2.816 8.782 1.00 0.00 C ATOM 414 O ARG A 27 4.563 3.869 8.980 1.00 0.00 O ATOM 415 CB ARG A 27 2.031 2.161 10.205 1.00 0.00 C ATOM 416 CG ARG A 27 0.573 2.371 10.583 1.00 0.00 C ATOM 417 CD ARG A 27 0.223 1.662 11.841 1.00 0.00 C ATOM 418 NE ARG A 27 -1.160 1.890 12.225 1.00 0.00 N ATOM 419 CZ ARG A 27 -1.786 1.258 13.237 1.00 0.00 C ATOM 420 NH1 ARG A 27 -1.141 0.366 13.954 1.00 0.00 N ATOM 421 NH2 ARG A 27 -3.050 1.537 13.508 1.00 0.00 N ATOM 0 H ARG A 27 1.315 1.188 8.056 1.00 0.00 H new ATOM 0 HA ARG A 27 2.046 3.776 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.235 1.091 10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.659 2.589 10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.377 3.437 10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.067 2.016 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.393 0.593 11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.882 1.997 12.642 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.694 2.576 11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.166 0.152 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.615 -0.112 14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.550 2.230 12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.525 1.059 14.274 1.00 0.00 H new ATOM 435 N LYS A 28 4.570 1.674 8.485 1.00 0.00 N ATOM 436 CA LYS A 28 6.020 1.591 8.362 1.00 0.00 C ATOM 437 C LYS A 28 6.520 2.402 7.173 1.00 0.00 C ATOM 438 O LYS A 28 7.483 3.159 7.286 1.00 0.00 O ATOM 439 CB LYS A 28 6.464 0.134 8.230 1.00 0.00 C ATOM 440 CG LYS A 28 6.308 -0.689 9.500 1.00 0.00 C ATOM 441 CD LYS A 28 6.740 -2.132 9.282 1.00 0.00 C ATOM 442 CE LYS A 28 6.571 -2.959 10.548 1.00 0.00 C ATOM 443 NZ LYS A 28 6.985 -4.374 10.346 1.00 0.00 N ATOM 0 H LYS A 28 4.083 0.792 8.325 1.00 0.00 H new ATOM 0 HA LYS A 28 6.456 2.012 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.889 -0.337 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.510 0.112 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.903 -0.246 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.268 -0.664 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.152 -2.572 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.783 -2.157 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.162 -2.519 11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.529 -2.928 10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.855 -4.904 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.404 -4.802 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.987 -4.406 10.068 1.00 0.00 H new ATOM 457 N ALA A 29 5.858 2.236 6.032 1.00 0.00 N ATOM 458 CA ALA A 29 6.225 2.963 4.822 1.00 0.00 C ATOM 459 C ALA A 29 5.953 4.454 4.971 1.00 0.00 C ATOM 460 O ALA A 29 6.701 5.287 4.458 1.00 0.00 O ATOM 461 CB ALA A 29 5.474 2.406 3.622 1.00 0.00 C ATOM 0 H ALA A 29 5.065 1.605 5.920 1.00 0.00 H new ATOM 0 HA ALA A 29 7.295 2.830 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.758 2.959 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.724 1.353 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.401 2.507 3.785 1.00 0.00 H new ATOM 467 N ALA A 30 4.877 4.786 5.676 1.00 0.00 N ATOM 468 CA ALA A 30 4.514 6.180 5.910 1.00 0.00 C ATOM 469 C ALA A 30 5.593 6.902 6.706 1.00 0.00 C ATOM 470 O ALA A 30 5.914 8.058 6.427 1.00 0.00 O ATOM 471 CB ALA A 30 3.178 6.264 6.633 1.00 0.00 C ATOM 0 H ALA A 30 4.240 4.109 6.096 1.00 0.00 H new ATOM 0 HA ALA A 30 4.423 6.672 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.920 7.310 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.405 5.793 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.250 5.750 7.591 1.00 0.00 H new ATOM 477 N LEU A 31 6.150 6.217 7.698 1.00 0.00 N ATOM 478 CA LEU A 31 7.281 6.742 8.454 1.00 0.00 C ATOM 479 C LEU A 31 8.522 6.859 7.579 1.00 0.00 C ATOM 480 O LEU A 31 9.262 7.839 7.660 1.00 0.00 O ATOM 481 CB LEU A 31 7.579 5.840 9.658 1.00 0.00 C ATOM 482 CG LEU A 31 6.531 5.858 10.778 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.861 4.779 11.800 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.504 7.234 11.426 1.00 0.00 C ATOM 0 H LEU A 31 5.836 5.294 7.998 1.00 0.00 H new ATOM 0 HA LEU A 31 7.014 7.738 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.687 4.815 9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.540 6.134 10.080 1.00 0.00 H new ATOM 0 HG LEU A 31 5.543 5.652 10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.116 4.792 12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.856 3.803 11.314 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.848 4.968 12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.759 7.247 12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.485 7.459 11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.248 7.984 10.677 1.00 0.00 H new ATOM 496 N LYS A 32 8.745 5.852 6.740 1.00 0.00 N ATOM 497 CA LYS A 32 9.888 5.847 5.836 1.00 0.00 C ATOM 498 C LYS A 32 9.875 7.067 4.924 1.00 0.00 C ATOM 499 O LYS A 32 10.905 7.706 4.711 1.00 0.00 O ATOM 500 CB LYS A 32 9.904 4.567 5.000 1.00 0.00 C ATOM 501 CG LYS A 32 11.087 4.453 4.046 1.00 0.00 C ATOM 502 CD LYS A 32 11.077 3.120 3.311 1.00 0.00 C ATOM 503 CE LYS A 32 12.251 3.010 2.349 1.00 0.00 C ATOM 504 NZ LYS A 32 12.270 1.701 1.642 1.00 0.00 N ATOM 0 H LYS A 32 8.148 5.028 6.668 1.00 0.00 H new ATOM 0 HA LYS A 32 10.792 5.885 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.911 3.709 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.981 4.513 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.055 5.269 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.018 4.557 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.118 2.304 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.142 3.013 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.198 3.817 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.184 3.139 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.085 1.667 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.347 0.932 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.392 1.588 1.097 1.00 0.00 H new ATOM 518 N TYR A 33 8.702 7.386 4.389 1.00 0.00 N ATOM 519 CA TYR A 33 8.564 8.491 3.447 1.00 0.00 C ATOM 520 C TYR A 33 7.875 9.685 4.094 1.00 0.00 C ATOM 521 O TYR A 33 7.292 10.524 3.407 1.00 0.00 O ATOM 522 CB TYR A 33 7.792 8.041 2.204 1.00 0.00 C ATOM 523 CG TYR A 33 8.408 6.851 1.501 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.713 5.652 1.432 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.665 6.959 0.926 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.274 4.564 0.790 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.226 5.871 0.284 1.00 0.00 C ATOM 528 CZ TYR A 33 9.534 4.678 0.215 1.00 0.00 C ATOM 529 OH TYR A 33 10.093 3.596 -0.425 1.00 0.00 O ATOM 0 H TYR A 33 7.832 6.894 4.592 1.00 0.00 H new ATOM 0 HA TYR A 33 9.565 8.801 3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.771 7.792 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.732 8.874 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.734 5.569 1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.205 7.893 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.735 3.629 0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.205 5.954 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 33 10.976 3.842 -0.773 1.00 0.00 H new ATOM 539 N HIS A 34 7.944 9.754 5.419 1.00 0.00 N ATOM 540 CA HIS A 34 7.256 10.800 6.168 1.00 0.00 C ATOM 541 C HIS A 34 7.819 12.176 5.838 1.00 0.00 C ATOM 542 O HIS A 34 9.034 12.374 5.835 1.00 0.00 O ATOM 543 CB HIS A 34 7.362 10.544 7.675 1.00 0.00 C ATOM 544 CG HIS A 34 6.368 11.315 8.487 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.470 12.675 8.692 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.253 10.917 9.144 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.460 13.081 9.442 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.709 12.034 9.730 1.00 0.00 N ATOM 0 H HIS A 34 8.469 9.098 5.997 1.00 0.00 H new ATOM 0 HA HIS A 34 6.206 10.778 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.225 9.479 7.864 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.368 10.800 8.008 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.864 9.911 9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.280 14.096 9.764 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.861 12.052 10.297 1.00 0.00 H new ATOM 556 N PRO A 35 6.929 13.123 5.562 1.00 0.00 N ATOM 557 CA PRO A 35 7.337 14.449 5.113 1.00 0.00 C ATOM 558 C PRO A 35 8.324 15.080 6.086 1.00 0.00 C ATOM 559 O PRO A 35 9.225 15.816 5.682 1.00 0.00 O ATOM 560 CB PRO A 35 6.014 15.221 5.070 1.00 0.00 C ATOM 561 CG PRO A 35 4.999 14.185 4.724 1.00 0.00 C ATOM 562 CD PRO A 35 5.443 12.958 5.475 1.00 0.00 C ATOM 0 HA PRO A 35 7.854 14.440 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.794 15.689 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.041 16.017 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.998 14.494 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.967 14.003 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.986 12.905 6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.170 12.044 4.948 1.00 0.00 H new ATOM 570 N ASP A 36 8.150 14.789 7.371 1.00 0.00 N ATOM 571 CA ASP A 36 8.891 15.479 8.421 1.00 0.00 C ATOM 572 C ASP A 36 10.170 14.731 8.775 1.00 0.00 C ATOM 573 O ASP A 36 10.844 15.064 9.749 1.00 0.00 O ATOM 574 CB ASP A 36 8.024 15.641 9.671 1.00 0.00 C ATOM 575 CG ASP A 36 6.843 16.579 9.457 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.925 17.416 8.589 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.873 16.450 10.163 1.00 0.00 O ATOM 0 H ASP A 36 7.501 14.079 7.711 1.00 0.00 H new ATOM 0 HA ASP A 36 9.161 16.465 8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.654 14.663 9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.639 16.020 10.487 1.00 0.00 H new ATOM 582 N LYS A 37 10.497 13.720 7.978 1.00 0.00 N ATOM 583 CA LYS A 37 11.732 12.966 8.165 1.00 0.00 C ATOM 584 C LYS A 37 12.735 13.269 7.059 1.00 0.00 C ATOM 585 O LYS A 37 12.361 13.710 5.973 1.00 0.00 O ATOM 586 CB LYS A 37 11.441 11.466 8.214 1.00 0.00 C ATOM 587 CG LYS A 37 10.542 11.036 9.366 1.00 0.00 C ATOM 588 CD LYS A 37 11.219 11.262 10.710 1.00 0.00 C ATOM 589 CE LYS A 37 10.361 10.748 11.856 1.00 0.00 C ATOM 590 NZ LYS A 37 10.984 11.015 13.180 1.00 0.00 N ATOM 0 H LYS A 37 9.924 13.403 7.196 1.00 0.00 H new ATOM 0 HA LYS A 37 12.169 13.273 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.975 11.168 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.386 10.927 8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.607 11.595 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.287 9.982 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.185 10.758 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.413 12.326 10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.380 11.221 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.203 9.676 11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.368 10.649 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.909 10.543 13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.111 12.040 13.304 1.00 0.00 H new ATOM 604 N PRO A 38 14.011 13.032 7.345 1.00 0.00 N ATOM 605 CA PRO A 38 15.073 13.294 6.380 1.00 0.00 C ATOM 606 C PRO A 38 14.822 12.555 5.071 1.00 0.00 C ATOM 607 O PRO A 38 15.201 13.027 4.000 1.00 0.00 O ATOM 608 CB PRO A 38 16.324 12.770 7.094 1.00 0.00 C ATOM 609 CG PRO A 38 16.009 12.924 8.543 1.00 0.00 C ATOM 610 CD PRO A 38 14.548 12.579 8.647 1.00 0.00 C ATOM 0 HA PRO A 38 15.153 14.344 6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.522 11.729 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.210 13.341 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.619 12.259 9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.203 13.940 8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.394 11.511 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.070 13.091 9.482 1.00 0.00 H new ATOM 618 N THR A 39 14.182 11.395 5.166 1.00 0.00 N ATOM 619 CA THR A 39 13.950 10.550 4.000 1.00 0.00 C ATOM 620 C THR A 39 12.537 10.732 3.460 1.00 0.00 C ATOM 621 O THR A 39 12.026 9.881 2.733 1.00 0.00 O ATOM 622 CB THR A 39 14.189 9.066 4.334 1.00 0.00 C ATOM 623 OG1 THR A 39 13.312 8.665 5.395 1.00 0.00 O ATOM 624 CG2 THR A 39 15.631 8.841 4.760 1.00 0.00 C ATOM 0 H THR A 39 13.814 11.018 6.039 1.00 0.00 H new ATOM 0 HA THR A 39 14.661 10.857 3.233 1.00 0.00 H new ATOM 0 HB THR A 39 13.988 8.471 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.573 8.137 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.782 7.787 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.299 9.133 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.847 9.442 5.644 1.00 0.00 H new ATOM 632 N GLY A 40 11.911 11.847 3.821 1.00 0.00 N ATOM 633 CA GLY A 40 10.551 12.138 3.382 1.00 0.00 C ATOM 634 C GLY A 40 10.466 12.208 1.862 1.00 0.00 C ATOM 635 O GLY A 40 11.368 12.724 1.203 1.00 0.00 O ATOM 0 H GLY A 40 12.324 12.564 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.874 11.368 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.222 13.084 3.811 1.00 0.00 H new ATOM 639 N ASP A 41 9.375 11.685 1.312 1.00 0.00 N ATOM 640 CA ASP A 41 9.187 11.654 -0.134 1.00 0.00 C ATOM 641 C ASP A 41 7.707 11.641 -0.497 1.00 0.00 C ATOM 642 O ASP A 41 7.040 10.613 -0.388 1.00 0.00 O ATOM 643 CB ASP A 41 9.876 10.428 -0.738 1.00 0.00 C ATOM 644 CG ASP A 41 9.804 10.397 -2.258 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.837 10.882 -2.798 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.715 9.887 -2.867 1.00 0.00 O ATOM 0 H ASP A 41 8.608 11.277 1.846 1.00 0.00 H new ATOM 0 HA ASP A 41 9.637 12.558 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.921 10.416 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.415 9.525 -0.339 1.00 0.00 H new ATOM 651 N THR A 42 7.200 12.791 -0.927 1.00 0.00 N ATOM 652 CA THR A 42 5.772 12.952 -1.178 1.00 0.00 C ATOM 653 C THR A 42 5.288 11.983 -2.249 1.00 0.00 C ATOM 654 O THR A 42 4.217 11.389 -2.125 1.00 0.00 O ATOM 655 CB THR A 42 5.443 14.396 -1.600 1.00 0.00 C ATOM 656 OG1 THR A 42 5.788 15.297 -0.539 1.00 0.00 O ATOM 657 CG2 THR A 42 3.962 14.534 -1.917 1.00 0.00 C ATOM 0 H THR A 42 7.757 13.626 -1.109 1.00 0.00 H new ATOM 0 HA THR A 42 5.253 12.730 -0.245 1.00 0.00 H new ATOM 0 HB THR A 42 6.019 14.638 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.580 16.216 -0.809 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.747 15.561 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.700 13.859 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.376 14.281 -1.034 1.00 0.00 H new ATOM 665 N GLU A 43 6.083 11.828 -3.302 1.00 0.00 N ATOM 666 CA GLU A 43 5.725 10.951 -4.411 1.00 0.00 C ATOM 667 C GLU A 43 5.516 9.519 -3.936 1.00 0.00 C ATOM 668 O GLU A 43 4.489 8.903 -4.221 1.00 0.00 O ATOM 669 CB GLU A 43 6.807 10.989 -5.492 1.00 0.00 C ATOM 670 CG GLU A 43 6.516 10.114 -6.703 1.00 0.00 C ATOM 671 CD GLU A 43 7.567 10.225 -7.772 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.467 11.015 -7.613 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.471 9.520 -8.748 1.00 0.00 O ATOM 0 H GLU A 43 6.981 12.299 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 43 4.787 11.312 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.935 12.019 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.754 10.677 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.438 9.075 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.549 10.392 -7.122 1.00 0.00 H new ATOM 680 N LYS A 44 6.497 8.994 -3.210 1.00 0.00 N ATOM 681 CA LYS A 44 6.430 7.626 -2.707 1.00 0.00 C ATOM 682 C LYS A 44 5.380 7.494 -1.611 1.00 0.00 C ATOM 683 O LYS A 44 4.738 6.453 -1.475 1.00 0.00 O ATOM 684 CB LYS A 44 7.796 7.181 -2.183 1.00 0.00 C ATOM 685 CG LYS A 44 8.887 7.120 -3.244 1.00 0.00 C ATOM 686 CD LYS A 44 8.508 6.173 -4.373 1.00 0.00 C ATOM 687 CE LYS A 44 8.602 4.719 -3.933 1.00 0.00 C ATOM 688 NZ LYS A 44 8.323 3.779 -5.052 1.00 0.00 N ATOM 0 H LYS A 44 7.349 9.495 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 44 6.141 6.979 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.110 7.866 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.694 6.196 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.062 8.118 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.822 6.792 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.493 6.389 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.166 6.340 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.598 4.524 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.895 4.539 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.397 2.800 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.363 3.947 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.013 3.932 -5.815 1.00 0.00 H new ATOM 702 N PHE A 45 5.211 8.557 -0.830 1.00 0.00 N ATOM 703 CA PHE A 45 4.178 8.595 0.198 1.00 0.00 C ATOM 704 C PHE A 45 2.787 8.488 -0.414 1.00 0.00 C ATOM 705 O PHE A 45 1.911 7.812 0.125 1.00 0.00 O ATOM 706 CB PHE A 45 4.283 9.883 1.015 1.00 0.00 C ATOM 707 CG PHE A 45 3.442 9.884 2.259 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.150 10.390 2.240 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.939 9.378 3.451 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.375 10.390 3.384 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.166 9.377 4.596 1.00 0.00 C ATOM 712 CZ PHE A 45 1.882 9.884 4.561 1.00 0.00 C ATOM 0 H PHE A 45 5.777 9.404 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 45 4.334 7.739 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.325 10.042 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.988 10.725 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.746 10.788 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.942 8.980 3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.371 10.787 3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.566 8.980 5.518 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.276 9.884 5.455 1.00 0.00 H new ATOM 722 N LYS A 46 2.591 9.161 -1.543 1.00 0.00 N ATOM 723 CA LYS A 46 1.336 9.068 -2.282 1.00 0.00 C ATOM 724 C LYS A 46 1.100 7.650 -2.789 1.00 0.00 C ATOM 725 O LYS A 46 -0.013 7.130 -2.711 1.00 0.00 O ATOM 726 CB LYS A 46 1.330 10.053 -3.452 1.00 0.00 C ATOM 727 CG LYS A 46 0.038 10.063 -4.258 1.00 0.00 C ATOM 728 CD LYS A 46 0.079 11.117 -5.354 1.00 0.00 C ATOM 729 CE LYS A 46 -1.204 11.116 -6.172 1.00 0.00 C ATOM 730 NZ LYS A 46 -1.178 12.144 -7.249 1.00 0.00 N ATOM 0 H LYS A 46 3.285 9.777 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 46 0.526 9.325 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.512 11.057 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.158 9.812 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.124 9.080 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.805 10.257 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.228 12.101 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.930 10.931 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.351 10.131 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.054 11.301 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.070 12.110 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.063 13.087 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.383 11.954 -7.892 1.00 0.00 H new ATOM 744 N GLU A 47 2.154 7.029 -3.309 1.00 0.00 N ATOM 745 CA GLU A 47 2.051 5.689 -3.873 1.00 0.00 C ATOM 746 C GLU A 47 1.561 4.690 -2.833 1.00 0.00 C ATOM 747 O GLU A 47 0.668 3.887 -3.103 1.00 0.00 O ATOM 748 CB GLU A 47 3.406 5.239 -4.427 1.00 0.00 C ATOM 749 CG GLU A 47 3.827 5.946 -5.707 1.00 0.00 C ATOM 750 CD GLU A 47 5.159 5.478 -6.222 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.744 4.618 -5.608 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.594 5.981 -7.232 1.00 0.00 O ATOM 0 H GLU A 47 3.090 7.433 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 47 1.324 5.724 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.169 5.405 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.370 4.166 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.069 5.782 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.870 7.020 -5.526 1.00 0.00 H new ATOM 759 N ILE A 48 2.148 4.745 -1.643 1.00 0.00 N ATOM 760 CA ILE A 48 1.796 3.822 -0.571 1.00 0.00 C ATOM 761 C ILE A 48 0.433 4.158 0.020 1.00 0.00 C ATOM 762 O ILE A 48 -0.243 3.294 0.579 1.00 0.00 O ATOM 763 CB ILE A 48 2.859 3.842 0.543 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.916 5.222 1.201 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.221 3.458 -0.015 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.760 5.266 2.455 1.00 0.00 C ATOM 0 H ILE A 48 2.871 5.421 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 48 1.753 2.823 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 48 2.581 3.110 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.311 5.941 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.902 5.540 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.961 3.477 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.171 2.455 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.509 4.166 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.752 6.276 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.353 4.573 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.784 4.980 2.215 1.00 0.00 H new ATOM 778 N SER A 49 0.034 5.420 -0.105 1.00 0.00 N ATOM 779 CA SER A 49 -1.291 5.850 0.321 1.00 0.00 C ATOM 780 C SER A 49 -2.371 5.319 -0.614 1.00 0.00 C ATOM 781 O SER A 49 -3.451 4.928 -0.172 1.00 0.00 O ATOM 782 CB SER A 49 -1.356 7.364 0.376 1.00 0.00 C ATOM 783 OG SER A 49 -0.529 7.865 1.390 1.00 0.00 O ATOM 0 H SER A 49 0.611 6.163 -0.499 1.00 0.00 H new ATOM 0 HA SER A 49 -1.472 5.444 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.052 7.780 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.384 7.681 0.550 1.00 0.00 H new ATOM 0 HG SER A 49 0.388 7.946 1.054 1.00 0.00 H new ATOM 789 N GLU A 50 -2.072 5.309 -1.908 1.00 0.00 N ATOM 790 CA GLU A 50 -2.931 4.655 -2.887 1.00 0.00 C ATOM 791 C GLU A 50 -3.007 3.154 -2.640 1.00 0.00 C ATOM 792 O GLU A 50 -4.083 2.560 -2.690 1.00 0.00 O ATOM 793 CB GLU A 50 -2.423 4.922 -4.306 1.00 0.00 C ATOM 794 CG GLU A 50 -2.665 6.340 -4.804 1.00 0.00 C ATOM 795 CD GLU A 50 -2.121 6.577 -6.184 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.299 5.804 -6.619 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.525 7.531 -6.806 1.00 0.00 O ATOM 0 H GLU A 50 -1.240 5.747 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.933 5.071 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.353 4.715 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.905 4.223 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.736 6.542 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.206 7.046 -4.112 1.00 0.00 H new ATOM 804 N ALA A 51 -1.856 2.545 -2.372 1.00 0.00 N ATOM 805 CA ALA A 51 -1.798 1.125 -2.048 1.00 0.00 C ATOM 806 C ALA A 51 -2.651 0.803 -0.827 1.00 0.00 C ATOM 807 O ALA A 51 -3.425 -0.154 -0.834 1.00 0.00 O ATOM 808 CB ALA A 51 -0.357 0.693 -1.814 1.00 0.00 C ATOM 0 H ALA A 51 -0.950 3.014 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.200 0.570 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.330 -0.370 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.228 0.876 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.064 1.263 -0.986 1.00 0.00 H new ATOM 814 N PHE A 52 -2.504 1.607 0.220 1.00 0.00 N ATOM 815 CA PHE A 52 -3.266 1.414 1.448 1.00 0.00 C ATOM 816 C PHE A 52 -4.764 1.513 1.187 1.00 0.00 C ATOM 817 O PHE A 52 -5.522 0.602 1.519 1.00 0.00 O ATOM 818 CB PHE A 52 -2.857 2.447 2.499 1.00 0.00 C ATOM 819 CG PHE A 52 -3.655 2.368 3.770 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.508 1.291 4.631 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.554 3.369 4.106 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.243 1.216 5.800 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.287 3.298 5.273 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.131 2.220 6.121 1.00 0.00 C ATOM 0 H PHE A 52 -1.863 2.400 0.243 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.045 0.414 1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.801 2.313 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.965 3.445 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.812 0.502 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.682 4.214 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.121 0.371 6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.983 4.086 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.704 2.163 7.035 1.00 0.00 H new ATOM 834 N GLU A 53 -5.184 2.624 0.592 1.00 0.00 N ATOM 835 CA GLU A 53 -6.598 2.872 0.342 1.00 0.00 C ATOM 836 C GLU A 53 -7.218 1.749 -0.479 1.00 0.00 C ATOM 837 O GLU A 53 -8.269 1.214 -0.125 1.00 0.00 O ATOM 838 CB GLU A 53 -6.787 4.207 -0.379 1.00 0.00 C ATOM 839 CG GLU A 53 -8.189 4.434 -0.928 1.00 0.00 C ATOM 840 CD GLU A 53 -9.228 4.549 0.152 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.873 4.872 1.260 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.379 4.313 -0.132 1.00 0.00 O ATOM 0 H GLU A 53 -4.563 3.368 0.273 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.104 2.912 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.545 5.016 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.074 4.266 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.195 5.343 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.452 3.610 -1.592 1.00 0.00 H new ATOM 849 N ILE A 54 -6.560 1.394 -1.578 1.00 0.00 N ATOM 850 CA ILE A 54 -7.075 0.374 -2.484 1.00 0.00 C ATOM 851 C ILE A 54 -7.140 -0.986 -1.802 1.00 0.00 C ATOM 852 O ILE A 54 -8.109 -1.728 -1.964 1.00 0.00 O ATOM 853 CB ILE A 54 -6.203 0.273 -3.749 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.359 1.531 -4.606 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.569 -0.969 -4.549 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.323 1.657 -5.700 1.00 0.00 C ATOM 0 H ILE A 54 -5.668 1.798 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.084 0.672 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.159 0.191 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.351 1.531 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.301 2.408 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.943 -1.025 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.409 -1.856 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.617 -0.916 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.499 2.573 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.328 1.690 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.394 0.799 -6.369 1.00 0.00 H new ATOM 868 N LEU A 55 -6.102 -1.309 -1.037 1.00 0.00 N ATOM 869 CA LEU A 55 -5.984 -2.626 -0.422 1.00 0.00 C ATOM 870 C LEU A 55 -6.732 -2.684 0.904 1.00 0.00 C ATOM 871 O LEU A 55 -7.000 -3.764 1.431 1.00 0.00 O ATOM 872 CB LEU A 55 -4.508 -2.977 -0.198 1.00 0.00 C ATOM 873 CG LEU A 55 -3.651 -3.084 -1.466 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.201 -3.343 -1.079 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.188 -4.201 -2.349 1.00 0.00 C ATOM 0 H LEU A 55 -5.330 -0.676 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.430 -3.353 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.068 -2.221 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.456 -3.926 0.335 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.696 -2.150 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.592 -3.419 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.836 -2.521 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.135 -4.275 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.579 -4.277 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.151 -5.145 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.219 -3.982 -2.625 1.00 0.00 H new ATOM 887 N ASN A 56 -7.069 -1.515 1.440 1.00 0.00 N ATOM 888 CA ASN A 56 -7.861 -1.432 2.661 1.00 0.00 C ATOM 889 C ASN A 56 -9.321 -1.777 2.393 1.00 0.00 C ATOM 890 O ASN A 56 -9.900 -2.630 3.066 1.00 0.00 O ATOM 891 CB ASN A 56 -7.744 -0.051 3.280 1.00 0.00 C ATOM 892 CG ASN A 56 -8.481 0.061 4.585 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.210 -0.689 5.531 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.407 0.983 4.657 1.00 0.00 N ATOM 0 H ASN A 56 -6.805 -0.611 1.047 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.467 -2.163 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.692 0.184 3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.133 0.690 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.939 1.105 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.597 1.579 3.851 1.00 0.00 H new ATOM 901 N ASP A 57 -9.911 -1.110 1.407 1.00 0.00 N ATOM 902 CA ASP A 57 -11.269 -1.421 0.977 1.00 0.00 C ATOM 903 C ASP A 57 -11.336 -2.794 0.318 1.00 0.00 C ATOM 904 O ASP A 57 -10.725 -3.023 -0.725 1.00 0.00 O ATOM 905 CB ASP A 57 -11.780 -0.357 0.003 1.00 0.00 C ATOM 906 CG ASP A 57 -13.232 -0.574 -0.402 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.739 -1.646 -0.172 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.820 0.335 -0.939 1.00 0.00 O ATOM 0 H ASP A 57 -9.469 -0.350 0.890 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.903 -1.430 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.679 0.627 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.155 -0.358 -0.890 1.00 0.00 H new ATOM 913 N PRO A 58 -12.081 -3.705 0.935 1.00 0.00 N ATOM 914 CA PRO A 58 -12.198 -5.067 0.432 1.00 0.00 C ATOM 915 C PRO A 58 -12.605 -5.080 -1.037 1.00 0.00 C ATOM 916 O PRO A 58 -12.150 -5.923 -1.809 1.00 0.00 O ATOM 917 CB PRO A 58 -13.288 -5.672 1.323 1.00 0.00 C ATOM 918 CG PRO A 58 -13.137 -4.955 2.622 1.00 0.00 C ATOM 919 CD PRO A 58 -12.810 -3.539 2.232 1.00 0.00 C ATOM 0 HA PRO A 58 -11.261 -5.622 0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.280 -5.521 0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.153 -6.747 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.053 -5.003 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.344 -5.393 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.710 -2.935 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.191 -3.047 2.982 1.00 0.00 H new ATOM 927 N GLN A 59 -13.462 -4.139 -1.415 1.00 0.00 N ATOM 928 CA GLN A 59 -13.967 -4.068 -2.781 1.00 0.00 C ATOM 929 C GLN A 59 -12.871 -3.654 -3.754 1.00 0.00 C ATOM 930 O GLN A 59 -12.738 -4.226 -4.835 1.00 0.00 O ATOM 931 CB GLN A 59 -15.141 -3.088 -2.868 1.00 0.00 C ATOM 932 CG GLN A 59 -15.801 -3.028 -4.236 1.00 0.00 C ATOM 933 CD GLN A 59 -16.453 -4.342 -4.623 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.288 -4.876 -3.888 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.072 -4.871 -5.779 1.00 0.00 N ATOM 0 H GLN A 59 -13.822 -3.414 -0.794 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.313 -5.064 -3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.890 -3.369 -2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.788 -2.091 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.552 -2.238 -4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.055 -2.762 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.378 -4.394 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.473 -5.755 -6.092 1.00 0.00 H new ATOM 944 N LYS A 60 -12.087 -2.655 -3.363 1.00 0.00 N ATOM 945 CA LYS A 60 -11.002 -2.159 -4.202 1.00 0.00 C ATOM 946 C LYS A 60 -9.859 -3.162 -4.275 1.00 0.00 C ATOM 947 O LYS A 60 -9.213 -3.308 -5.312 1.00 0.00 O ATOM 948 CB LYS A 60 -10.491 -0.815 -3.679 1.00 0.00 C ATOM 949 CG LYS A 60 -11.478 0.335 -3.829 1.00 0.00 C ATOM 950 CD LYS A 60 -10.903 1.631 -3.278 1.00 0.00 C ATOM 951 CE LYS A 60 -11.917 2.763 -3.354 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.360 4.044 -2.841 1.00 0.00 N ATOM 0 H LYS A 60 -12.183 -2.172 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.397 -2.019 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.235 -0.923 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.572 -0.560 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.731 0.465 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.403 0.094 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.596 1.484 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.009 1.902 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.237 2.895 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.803 2.496 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.088 4.785 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.062 3.922 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.540 4.322 -3.418 1.00 0.00 H new ATOM 966 N ARG A 61 -9.613 -3.853 -3.166 1.00 0.00 N ATOM 967 CA ARG A 61 -8.590 -4.891 -3.121 1.00 0.00 C ATOM 968 C ARG A 61 -8.929 -6.037 -4.064 1.00 0.00 C ATOM 969 O ARG A 61 -8.065 -6.535 -4.786 1.00 0.00 O ATOM 970 CB ARG A 61 -8.437 -5.430 -1.706 1.00 0.00 C ATOM 971 CG ARG A 61 -7.309 -6.434 -1.523 1.00 0.00 C ATOM 972 CD ARG A 61 -7.169 -6.850 -0.104 1.00 0.00 C ATOM 973 NE ARG A 61 -6.028 -7.730 0.092 1.00 0.00 N ATOM 974 CZ ARG A 61 -5.748 -8.371 1.244 1.00 0.00 C ATOM 975 NH1 ARG A 61 -6.531 -8.222 2.288 1.00 0.00 N ATOM 976 NH2 ARG A 61 -4.684 -9.152 1.322 1.00 0.00 N ATOM 0 H ARG A 61 -10.109 -3.712 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.650 -4.440 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.271 -4.592 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.374 -5.900 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.498 -7.311 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.372 -5.996 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.058 -5.966 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.079 -7.358 0.217 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.396 -7.872 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.352 -7.620 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.318 -8.708 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.076 -9.269 0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.471 -9.638 2.193 1.00 0.00 H new ATOM 990 N GLU A 62 -10.190 -6.454 -4.053 1.00 0.00 N ATOM 991 CA GLU A 62 -10.672 -7.465 -4.987 1.00 0.00 C ATOM 992 C GLU A 62 -10.472 -7.020 -6.430 1.00 0.00 C ATOM 993 O GLU A 62 -9.924 -7.760 -7.248 1.00 0.00 O ATOM 994 CB GLU A 62 -12.152 -7.762 -4.735 1.00 0.00 C ATOM 995 CG GLU A 62 -12.746 -8.821 -5.653 1.00 0.00 C ATOM 996 CD GLU A 62 -14.194 -9.103 -5.361 1.00 0.00 C ATOM 997 OE1 GLU A 62 -14.727 -8.500 -4.460 1.00 0.00 O ATOM 998 OE2 GLU A 62 -14.767 -9.923 -6.039 1.00 0.00 O ATOM 0 H GLU A 62 -10.898 -6.107 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.092 -8.373 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.274 -8.085 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.720 -6.839 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.646 -8.495 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.174 -9.743 -5.553 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.921 -5.808 -6.738 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.796 -5.264 -8.085 1.00 0.00 C ATOM 1007 C ILE A 63 -9.339 -5.210 -8.525 1.00 0.00 C ATOM 1008 O ILE A 63 -9.015 -5.524 -9.670 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.410 -3.854 -8.168 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.932 -3.925 -8.012 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.037 -3.187 -9.482 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.585 -2.582 -7.779 1.00 0.00 C ATOM 0 H ILE A 63 -11.375 -5.183 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.340 -5.930 -8.755 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.008 -3.252 -7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.359 -4.376 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.172 -4.585 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.479 -2.192 -9.523 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.952 -3.105 -9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.411 -3.785 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.662 -2.714 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.187 -2.137 -6.867 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.377 -1.925 -8.623 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.464 -4.810 -7.609 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.035 -4.747 -7.891 1.00 0.00 C ATOM 1026 C TYR A 64 -6.487 -6.117 -8.271 1.00 0.00 C ATOM 1027 O TYR A 64 -5.878 -6.281 -9.328 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.276 -4.188 -6.685 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.772 -4.258 -6.824 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.134 -3.544 -7.829 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -4.029 -5.037 -5.950 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.760 -3.608 -7.957 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.655 -5.101 -6.078 1.00 0.00 C ATOM 1034 CZ TYR A 64 -2.021 -4.390 -7.076 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.653 -4.454 -7.203 1.00 0.00 O ATOM 0 H TYR A 64 -8.720 -4.524 -6.664 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.891 -4.078 -8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.569 -3.149 -6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.575 -4.738 -5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.712 -2.938 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.525 -5.594 -5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.262 -3.053 -8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.077 -5.708 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.404 -4.303 -8.139 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.708 -7.098 -7.403 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.147 -8.430 -7.593 1.00 0.00 C ATOM 1047 C ASP A 65 -6.848 -9.165 -8.729 1.00 0.00 C ATOM 1048 O ASP A 65 -6.270 -10.051 -9.358 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.257 -9.248 -6.304 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.283 -8.789 -5.227 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.338 -8.113 -5.557 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -5.495 -9.118 -4.085 1.00 0.00 O ATOM 0 H ASP A 65 -7.273 -6.995 -6.560 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.095 -8.312 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.275 -9.177 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.073 -10.299 -6.529 1.00 0.00 H new ATOM 1057 N GLN A 66 -8.097 -8.791 -8.987 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.894 -9.444 -10.018 1.00 0.00 C ATOM 1059 C GLN A 66 -8.582 -8.879 -11.397 1.00 0.00 C ATOM 1060 O GLN A 66 -8.481 -9.621 -12.375 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.388 -9.292 -9.718 1.00 0.00 C ATOM 1062 CG GLN A 66 -11.297 -10.015 -10.696 1.00 0.00 C ATOM 1063 CD GLN A 66 -11.086 -11.517 -10.682 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -11.097 -12.149 -9.621 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -10.892 -12.098 -11.861 1.00 0.00 N ATOM 0 H GLN A 66 -8.579 -8.038 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.636 -10.503 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.585 -9.665 -8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.641 -8.232 -9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.336 -9.795 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.118 -9.635 -11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.891 -11.536 -12.712 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.744 -13.106 -11.915 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.429 -7.561 -11.471 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.330 -6.872 -12.751 1.00 0.00 C ATOM 1076 C TYR A 67 -6.997 -6.147 -12.886 1.00 0.00 C ATOM 1077 O TYR A 67 -6.337 -6.228 -13.922 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.489 -5.885 -12.917 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.854 -6.535 -12.870 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.316 -7.261 -13.958 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.645 -6.404 -11.738 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.563 -7.854 -13.915 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.892 -6.998 -11.694 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.351 -7.720 -12.777 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.593 -8.310 -12.734 1.00 0.00 O ATOM 0 H TYR A 67 -8.371 -6.948 -10.658 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.388 -7.622 -13.540 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.428 -5.132 -12.132 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.377 -5.364 -13.868 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.700 -7.363 -14.839 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.286 -5.838 -10.891 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.924 -8.419 -14.761 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.507 -6.897 -10.812 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.015 -8.122 -11.869 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.606 -5.437 -11.832 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.320 -4.752 -11.805 1.00 0.00 C ATOM 1097 C GLY A 68 -5.464 -3.329 -11.280 1.00 0.00 C ATOM 1098 O GLY A 68 -6.565 -2.888 -10.951 1.00 0.00 O ATOM 0 H GLY A 68 -7.163 -5.322 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.623 -5.306 -11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.895 -4.731 -12.809 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.346 -2.616 -11.202 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.333 -1.269 -10.643 1.00 0.00 C ATOM 1104 C LEU A 69 -5.240 -0.337 -11.435 1.00 0.00 C ATOM 1105 O LEU A 69 -5.990 0.452 -10.859 1.00 0.00 O ATOM 1106 CB LEU A 69 -2.904 -0.715 -10.631 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.746 0.704 -10.069 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.250 0.742 -8.633 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.285 1.122 -10.147 1.00 0.00 C ATOM 0 H LEU A 69 -3.436 -2.949 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.707 -1.326 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.277 -1.389 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.521 -0.727 -11.651 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.336 1.405 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.137 1.750 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.302 0.458 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.672 0.045 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.173 2.130 -9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.677 0.431 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.957 1.105 -11.186 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.167 -0.430 -12.758 1.00 0.00 N ATOM 1122 CA GLU A 70 -5.975 0.412 -13.632 1.00 0.00 C ATOM 1123 C GLU A 70 -7.435 0.416 -13.199 1.00 0.00 C ATOM 1124 O GLU A 70 -8.040 1.474 -13.029 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.864 -0.063 -15.083 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.649 0.777 -16.081 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.501 0.292 -17.496 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.805 -0.672 -17.704 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.085 0.889 -18.371 1.00 0.00 O ATOM 0 H GLU A 70 -4.555 -1.082 -13.250 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.593 1.430 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.813 -0.063 -15.373 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.211 -1.095 -15.142 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.704 0.767 -15.807 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.314 1.812 -16.020 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.997 -0.776 -13.021 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.378 -0.911 -12.573 1.00 0.00 C ATOM 1138 C ALA A 71 -9.549 -0.396 -11.149 1.00 0.00 C ATOM 1139 O ALA A 71 -10.534 0.270 -10.834 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.824 -2.363 -12.667 1.00 0.00 C ATOM 0 H ALA A 71 -7.517 -1.662 -13.180 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.005 -0.305 -13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.857 -2.449 -12.329 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.751 -2.700 -13.701 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.184 -2.982 -12.038 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.582 -0.709 -10.293 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.632 -0.292 -8.897 1.00 0.00 C ATOM 1148 C ALA A 72 -8.667 1.226 -8.777 1.00 0.00 C ATOM 1149 O ALA A 72 -9.332 1.774 -7.898 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.442 -0.855 -8.133 1.00 0.00 C ATOM 0 H ALA A 72 -7.754 -1.250 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.550 -0.686 -8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.493 -0.535 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.462 -1.944 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.517 -0.490 -8.580 1.00 0.00 H new ATOM 1156 N ARG A 73 -7.948 1.902 -9.667 1.00 0.00 N ATOM 1157 CA ARG A 73 -7.903 3.359 -9.667 1.00 0.00 C ATOM 1158 C ARG A 73 -9.239 3.952 -10.096 1.00 0.00 C ATOM 1159 O ARG A 73 -9.669 4.980 -9.574 1.00 0.00 O ATOM 1160 CB ARG A 73 -6.807 3.861 -10.597 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.390 3.639 -10.092 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.379 4.164 -11.047 1.00 0.00 C ATOM 1163 NE ARG A 73 -4.490 5.603 -11.216 1.00 0.00 N ATOM 1164 CZ ARG A 73 -3.967 6.516 -10.373 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -3.302 6.122 -9.310 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -4.123 7.805 -10.616 1.00 0.00 N ATOM 0 H ARG A 73 -7.388 1.463 -10.398 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.688 3.679 -8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.915 3.367 -11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.954 4.928 -10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.267 4.128 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.223 2.574 -9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.379 3.916 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.503 3.674 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.000 5.947 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.182 5.126 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.906 6.812 -8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.639 8.110 -11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.727 8.496 -9.978 1.00 0.00 H new ATOM 1180 N SER A 74 -9.891 3.297 -11.051 1.00 0.00 N ATOM 1181 CA SER A 74 -11.222 3.703 -11.486 1.00 0.00 C ATOM 1182 C SER A 74 -12.263 3.424 -10.409 1.00 0.00 C ATOM 1183 O SER A 74 -13.280 4.111 -10.322 1.00 0.00 O ATOM 1184 CB SER A 74 -11.597 2.979 -12.764 1.00 0.00 C ATOM 1185 OG SER A 74 -11.878 1.630 -12.513 1.00 0.00 O ATOM 0 H SER A 74 -9.519 2.482 -11.539 1.00 0.00 H new ATOM 0 HA SER A 74 -11.202 4.777 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.466 3.457 -13.215 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.781 3.057 -13.483 1.00 0.00 H new ATOM 0 HG SER A 74 -11.307 1.307 -11.785 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.002 2.410 -9.591 1.00 0.00 N ATOM 1192 CA GLY A 75 -12.869 2.096 -8.461 1.00 0.00 C ATOM 1193 C GLY A 75 -13.976 1.131 -8.869 1.00 0.00 C ATOM 1194 O GLY A 75 -14.886 0.850 -8.088 1.00 0.00 O ATOM 0 H GLY A 75 -11.197 1.791 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.278 1.657 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.308 3.014 -8.070 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.892 0.626 -10.094 1.00 0.00 N ATOM 1199 CA GLY A 76 -14.893 -0.299 -10.613 1.00 0.00 C ATOM 1200 C GLY A 76 -14.245 -1.425 -11.406 1.00 0.00 C ATOM 1201 O GLY A 76 -13.146 -1.269 -11.939 1.00 0.00 O ATOM 0 H GLY A 76 -13.139 0.842 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.468 -0.717 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.595 0.240 -11.249 1.00 0.00 H new ATOM 1205 N PRO A 77 -14.932 -2.560 -11.481 1.00 0.00 N ATOM 1206 CA PRO A 77 -14.446 -3.699 -12.251 1.00 0.00 C ATOM 1207 C PRO A 77 -14.189 -3.315 -13.703 1.00 0.00 C ATOM 1208 O PRO A 77 -14.919 -2.508 -14.279 1.00 0.00 O ATOM 1209 CB PRO A 77 -15.590 -4.711 -12.128 1.00 0.00 C ATOM 1210 CG PRO A 77 -16.262 -4.350 -10.848 1.00 0.00 C ATOM 1211 CD PRO A 77 -16.205 -2.846 -10.807 1.00 0.00 C ATOM 0 HA PRO A 77 -13.494 -4.088 -11.891 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -16.276 -4.640 -12.972 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -15.216 -5.734 -12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.291 -4.710 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.750 -4.791 -9.992 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -17.050 -2.393 -11.326 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -16.218 -2.467 -9.785 1.00 0.00 H new ATOM 1219 N SER A 78 -13.149 -3.897 -14.289 1.00 0.00 N ATOM 1220 CA SER A 78 -12.840 -3.677 -15.696 1.00 0.00 C ATOM 1221 C SER A 78 -13.795 -4.449 -16.597 1.00 0.00 C ATOM 1222 O SER A 78 -14.090 -5.618 -16.349 1.00 0.00 O ATOM 1223 CB SER A 78 -11.411 -4.090 -15.988 1.00 0.00 C ATOM 1224 OG SER A 78 -11.127 -3.982 -17.356 1.00 0.00 O ATOM 0 H SER A 78 -12.505 -4.526 -13.810 1.00 0.00 H new ATOM 0 HA SER A 78 -12.958 -2.613 -15.903 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.724 -3.463 -15.420 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.251 -5.117 -15.660 1.00 0.00 H new ATOM 0 HG SER A 78 -10.199 -4.252 -17.520 1.00 0.00 H new ATOM 1230 N PHE A 79 -14.277 -3.789 -17.645 1.00 0.00 N ATOM 1231 CA PHE A 79 -15.181 -4.420 -18.599 1.00 0.00 C ATOM 1232 C PHE A 79 -14.662 -4.278 -20.025 1.00 0.00 C ATOM 1233 O PHE A 79 -15.231 -3.542 -20.832 1.00 0.00 O ATOM 1234 CB PHE A 79 -16.579 -3.810 -18.497 1.00 0.00 C ATOM 1235 CG PHE A 79 -17.208 -3.961 -17.140 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -17.330 -2.871 -16.291 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -17.679 -5.192 -16.711 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -17.907 -3.009 -15.043 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -18.259 -5.333 -15.465 1.00 0.00 C ATOM 1240 CZ PHE A 79 -18.372 -4.240 -14.631 1.00 0.00 C ATOM 0 H PHE A 79 -14.056 -2.816 -17.855 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.234 -5.481 -18.353 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -16.522 -2.750 -18.745 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -17.225 -4.277 -19.241 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -16.970 -1.904 -16.609 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -17.592 -6.052 -17.359 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -17.994 -2.153 -14.390 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -18.623 -6.298 -15.144 1.00 0.00 H new ATOM 0 HZ PHE A 79 -18.824 -4.348 -13.656 1.00 0.00 H new ATOM 1250 N GLY A 80 -13.579 -4.984 -20.328 1.00 0.00 N ATOM 1251 CA GLY A 80 -12.966 -4.918 -21.650 1.00 0.00 C ATOM 1252 C GLY A 80 -11.949 -3.786 -21.729 1.00 0.00 C ATOM 1253 O GLY A 80 -11.716 -3.078 -20.748 1.00 0.00 O ATOM 0 H GLY A 80 -13.106 -5.610 -19.676 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.477 -5.866 -21.875 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.738 -4.770 -22.405 1.00 0.00 H new ATOM 1257 N PRO A 81 -11.346 -3.619 -22.900 1.00 0.00 N ATOM 1258 CA PRO A 81 -10.323 -2.600 -23.098 1.00 0.00 C ATOM 1259 C PRO A 81 -10.945 -1.221 -23.273 1.00 0.00 C ATOM 1260 O PRO A 81 -11.309 -0.601 -22.311 1.00 0.00 O ATOM 1261 CB PRO A 81 -9.615 -3.065 -24.374 1.00 0.00 C ATOM 1262 CG PRO A 81 -10.678 -3.766 -25.148 1.00 0.00 C ATOM 1263 CD PRO A 81 -11.500 -4.470 -24.101 1.00 0.00 C ATOM 1264 OXT PRO A 81 -11.073 -0.755 -24.371 1.00 0.00 O ATOM 0 HA PRO A 81 -9.646 -2.498 -22.250 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.206 -2.223 -24.932 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.783 -3.731 -24.147 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.282 -3.062 -25.721 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.251 -4.473 -25.860 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.545 -4.553 -24.401 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.138 -5.483 -23.923 1.00 0.00 H new TER 1272 PRO A 81