USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 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 67 TYR OH : rot 0:sc= 2.29 USER MOD Set 1.2: A 78 SER OG : rot 47:sc= 1.23 USER MOD Set 2.1: A 26 TYR OH : rot 20:sc= 0.517 USER MOD Set 2.2: A 49 SER OG : rot 81:sc= 1.48 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 14 SER OG : rot 124:sc= 1.2 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 1.01 USER MOD Single : A 1 SER N :NH3+ -133:sc= 0.0931 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.17) 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 -3:sc= 0.933 USER MOD Single : A 18 ASN : amide:sc= -0.163! C(o=-0.16!,f=-10!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.71 K(o=0.71,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 95:sc= 1.33 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -107:sc= 0.393 (180deg=-0.123) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00809 X(o=-0.0081,f=-0.074) USER MOD Single : A 59 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.1) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.132 (180deg=-0.278) USER MOD Single : A 64 TYR OH : rot -29:sc= 0.498 USER MOD Single : A 66 GLN : amide:sc= 0.532 K(o=0.53,f=-0.37) USER MOD Single : A 74 SER OG : rot 90:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.677 -15.289 -7.232 1.00 0.00 N ATOM 2 CA SER A 1 -5.222 -15.184 -7.242 1.00 0.00 C ATOM 3 C SER A 1 -4.773 -13.734 -7.112 1.00 0.00 C ATOM 4 O SER A 1 -5.599 -12.829 -6.982 1.00 0.00 O ATOM 5 CB SER A 1 -4.663 -15.782 -8.518 1.00 0.00 C ATOM 6 OG SER A 1 -4.991 -14.993 -9.628 1.00 0.00 O ATOM 0 H1 SER A 1 -6.966 -16.045 -6.579 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.088 -14.386 -6.920 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.016 -15.511 -8.190 1.00 0.00 H new ATOM 0 HA SER A 1 -4.840 -15.739 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.580 -15.871 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.056 -16.789 -8.654 1.00 0.00 H new ATOM 0 HG SER A 1 -4.618 -15.398 -10.439 1.00 0.00 H new ATOM 11 N VAL A 2 -3.463 -13.520 -7.148 1.00 0.00 N ATOM 12 CA VAL A 2 -2.902 -12.179 -7.028 1.00 0.00 C ATOM 13 C VAL A 2 -2.232 -11.744 -8.325 1.00 0.00 C ATOM 14 O VAL A 2 -1.103 -12.139 -8.616 1.00 0.00 O ATOM 15 CB VAL A 2 -1.875 -12.131 -5.882 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.305 -10.727 -5.736 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.524 -12.588 -4.584 1.00 0.00 C ATOM 0 H VAL A 2 -2.768 -14.259 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.722 -11.494 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.052 -12.807 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.581 -10.711 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.814 -10.436 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.112 -10.028 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.791 -12.551 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.360 -11.931 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.886 -13.610 -4.698 1.00 0.00 H new ATOM 27 N LYS A 3 -2.936 -10.928 -9.103 1.00 0.00 N ATOM 28 CA LYS A 3 -2.445 -10.500 -10.407 1.00 0.00 C ATOM 29 C LYS A 3 -1.305 -9.500 -10.263 1.00 0.00 C ATOM 30 O LYS A 3 -0.172 -9.774 -10.660 1.00 0.00 O ATOM 31 CB LYS A 3 -3.579 -9.891 -11.233 1.00 0.00 C ATOM 32 CG LYS A 3 -3.161 -9.411 -12.617 1.00 0.00 C ATOM 33 CD LYS A 3 -4.356 -8.900 -13.409 1.00 0.00 C ATOM 34 CE LYS A 3 -3.928 -8.335 -14.755 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.090 -7.871 -15.560 1.00 0.00 N ATOM 0 H LYS A 3 -3.849 -10.550 -8.852 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.064 -11.379 -10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.371 -10.632 -11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.002 -9.051 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.420 -8.618 -12.521 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.685 -10.228 -13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.067 -9.712 -13.563 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.872 -8.129 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.241 -7.503 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.383 -9.097 -15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.749 -7.372 -16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.662 -8.690 -15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.672 -7.226 -14.989 1.00 0.00 H new ATOM 49 N GLU A 4 -1.612 -8.338 -9.696 1.00 0.00 N ATOM 50 CA GLU A 4 -0.623 -7.279 -9.537 1.00 0.00 C ATOM 51 C GLU A 4 -0.035 -7.281 -8.130 1.00 0.00 C ATOM 52 O GLU A 4 -0.705 -7.655 -7.169 1.00 0.00 O ATOM 53 CB GLU A 4 -1.250 -5.915 -9.836 1.00 0.00 C ATOM 54 CG GLU A 4 -1.780 -5.763 -11.254 1.00 0.00 C ATOM 55 CD GLU A 4 -0.691 -5.785 -12.290 1.00 0.00 C ATOM 56 OE1 GLU A 4 0.408 -5.392 -11.979 1.00 0.00 O ATOM 57 OE2 GLU A 4 -0.959 -6.197 -13.396 1.00 0.00 O ATOM 0 H GLU A 4 -2.539 -8.106 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 4 0.183 -7.466 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.067 -5.743 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.506 -5.139 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.487 -6.566 -11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.331 -4.826 -11.332 1.00 0.00 H new ATOM 64 N THR A 5 1.222 -6.862 -8.020 1.00 0.00 N ATOM 65 CA THR A 5 1.925 -6.882 -6.744 1.00 0.00 C ATOM 66 C THR A 5 2.532 -5.520 -6.428 1.00 0.00 C ATOM 67 O THR A 5 3.210 -5.352 -5.414 1.00 0.00 O ATOM 68 CB THR A 5 3.028 -7.955 -6.735 1.00 0.00 C ATOM 69 OG1 THR A 5 3.982 -7.672 -7.768 1.00 0.00 O ATOM 70 CG2 THR A 5 2.432 -9.335 -6.965 1.00 0.00 C ATOM 0 H THR A 5 1.774 -6.505 -8.800 1.00 0.00 H new ATOM 0 HA THR A 5 1.191 -7.126 -5.975 1.00 0.00 H new ATOM 0 HB THR A 5 3.520 -7.941 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.685 -8.355 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.227 -10.081 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.715 -9.558 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.926 -9.357 -7.930 1.00 0.00 H new ATOM 78 N LYS A 6 2.285 -4.551 -7.303 1.00 0.00 N ATOM 79 CA LYS A 6 2.925 -3.246 -7.201 1.00 0.00 C ATOM 80 C LYS A 6 2.631 -2.591 -5.858 1.00 0.00 C ATOM 81 O LYS A 6 3.543 -2.156 -5.154 1.00 0.00 O ATOM 82 CB LYS A 6 2.468 -2.335 -8.342 1.00 0.00 C ATOM 83 CG LYS A 6 3.099 -0.948 -8.330 1.00 0.00 C ATOM 84 CD LYS A 6 2.643 -0.124 -9.523 1.00 0.00 C ATOM 85 CE LYS A 6 3.246 1.273 -9.497 1.00 0.00 C ATOM 86 NZ LYS A 6 2.834 2.081 -10.676 1.00 0.00 N ATOM 0 H LYS A 6 1.645 -4.646 -8.092 1.00 0.00 H new ATOM 0 HA LYS A 6 4.002 -3.396 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.699 -2.818 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.384 -2.228 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.833 -0.433 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.185 -1.040 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.929 -0.628 -10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.555 -0.052 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.940 1.783 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.333 1.198 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.267 3.025 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.148 1.609 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.798 2.175 -10.687 1.00 0.00 H new ATOM 100 N LEU A 7 1.351 -2.524 -5.506 1.00 0.00 N ATOM 101 CA LEU A 7 0.927 -1.852 -4.283 1.00 0.00 C ATOM 102 C LEU A 7 1.439 -2.582 -3.049 1.00 0.00 C ATOM 103 O LEU A 7 1.739 -1.961 -2.028 1.00 0.00 O ATOM 104 CB LEU A 7 -0.603 -1.760 -4.233 1.00 0.00 C ATOM 105 CG LEU A 7 -1.255 -0.906 -5.328 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.766 -0.907 -5.141 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.697 0.508 -5.268 1.00 0.00 C ATOM 0 H LEU A 7 0.589 -2.927 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 7 1.350 -0.847 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.011 -2.769 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.893 -1.357 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.030 -1.323 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.229 -0.300 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.140 -1.929 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.012 -0.493 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.160 1.115 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.912 0.943 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.382 0.480 -5.423 1.00 0.00 H new ATOM 119 N TYR A 8 1.538 -3.904 -3.147 1.00 0.00 N ATOM 120 CA TYR A 8 2.043 -4.718 -2.048 1.00 0.00 C ATOM 121 C TYR A 8 3.535 -4.493 -1.836 1.00 0.00 C ATOM 122 O TYR A 8 4.018 -4.495 -0.704 1.00 0.00 O ATOM 123 CB TYR A 8 1.761 -6.199 -2.305 1.00 0.00 C ATOM 124 CG TYR A 8 0.291 -6.555 -2.271 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.349 -6.973 -3.429 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.417 -6.465 -1.081 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.690 -7.299 -3.397 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.759 -6.791 -1.050 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.395 -7.206 -2.202 1.00 0.00 C ATOM 130 OH TYR A 8 -3.732 -7.531 -2.171 1.00 0.00 O ATOM 0 H TYR A 8 1.275 -4.434 -3.977 1.00 0.00 H new ATOM 0 HA TYR A 8 1.523 -4.414 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.169 -6.474 -3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.287 -6.794 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.202 -7.043 -4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.081 -6.140 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.190 -7.625 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.310 -6.721 -0.124 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.035 -7.757 -3.075 1.00 0.00 H new ATOM 140 N ASP A 9 4.259 -4.301 -2.932 1.00 0.00 N ATOM 141 CA ASP A 9 5.692 -4.035 -2.866 1.00 0.00 C ATOM 142 C ASP A 9 5.968 -2.642 -2.315 1.00 0.00 C ATOM 143 O ASP A 9 6.939 -2.434 -1.586 1.00 0.00 O ATOM 144 CB ASP A 9 6.329 -4.177 -4.251 1.00 0.00 C ATOM 145 CG ASP A 9 6.404 -5.624 -4.723 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.268 -6.502 -3.905 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.596 -5.835 -5.897 1.00 0.00 O ATOM 0 H ASP A 9 3.878 -4.324 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 9 6.134 -4.768 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.754 -3.594 -4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.334 -3.755 -4.228 1.00 0.00 H new ATOM 152 N LEU A 10 5.111 -1.692 -2.666 1.00 0.00 N ATOM 153 CA LEU A 10 5.238 -0.325 -2.174 1.00 0.00 C ATOM 154 C LEU A 10 5.041 -0.264 -0.664 1.00 0.00 C ATOM 155 O LEU A 10 5.732 0.481 0.033 1.00 0.00 O ATOM 156 CB LEU A 10 4.215 0.586 -2.865 1.00 0.00 C ATOM 157 CG LEU A 10 4.487 0.887 -4.344 1.00 0.00 C ATOM 158 CD1 LEU A 10 3.293 1.618 -4.942 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.755 1.718 -4.469 1.00 0.00 C ATOM 0 H LEU A 10 4.319 -1.843 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 10 6.245 0.021 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.231 0.125 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.172 1.530 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 10 4.631 -0.044 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.486 1.832 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.404 0.993 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.133 2.553 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.948 1.932 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.631 2.655 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.596 1.164 -4.051 1.00 0.00 H new ATOM 171 N LEU A 11 4.096 -1.052 -0.163 1.00 0.00 N ATOM 172 CA LEU A 11 3.838 -1.124 1.270 1.00 0.00 C ATOM 173 C LEU A 11 4.833 -2.045 1.963 1.00 0.00 C ATOM 174 O LEU A 11 5.167 -1.849 3.131 1.00 0.00 O ATOM 175 CB LEU A 11 2.409 -1.618 1.527 1.00 0.00 C ATOM 176 CG LEU A 11 1.287 -0.681 1.062 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.064 -1.303 1.388 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.442 0.673 1.741 1.00 0.00 C ATOM 0 H LEU A 11 3.495 -1.651 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 11 3.954 -0.121 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.282 -2.580 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.292 -1.793 2.596 1.00 0.00 H new ATOM 0 HG LEU A 11 1.348 -0.535 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.861 -0.637 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.156 -2.261 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.143 -1.457 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.645 1.339 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.385 0.547 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.408 1.104 1.477 1.00 0.00 H new ATOM 190 N GLY A 12 5.304 -3.053 1.235 1.00 0.00 N ATOM 191 CA GLY A 12 6.225 -4.036 1.793 1.00 0.00 C ATOM 192 C GLY A 12 5.479 -5.092 2.599 1.00 0.00 C ATOM 193 O GLY A 12 5.917 -5.486 3.680 1.00 0.00 O ATOM 0 H GLY A 12 5.062 -3.210 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.782 -4.515 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.954 -3.535 2.430 1.00 0.00 H new ATOM 197 N VAL A 13 4.350 -5.548 2.066 1.00 0.00 N ATOM 198 CA VAL A 13 3.499 -6.498 2.773 1.00 0.00 C ATOM 199 C VAL A 13 2.871 -7.497 1.809 1.00 0.00 C ATOM 200 O VAL A 13 2.487 -7.142 0.695 1.00 0.00 O ATOM 201 CB VAL A 13 2.385 -5.754 3.535 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.482 -5.010 2.562 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.582 -6.741 4.369 1.00 0.00 C ATOM 0 H VAL A 13 4.003 -5.275 1.146 1.00 0.00 H new ATOM 0 HA VAL A 13 4.125 -7.041 3.481 1.00 0.00 H new ATOM 0 HB VAL A 13 2.839 -5.022 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.701 -4.490 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.071 -4.286 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.026 -5.721 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.796 -6.209 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.133 -7.489 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.241 -7.233 5.085 1.00 0.00 H new ATOM 213 N SER A 14 2.770 -8.748 2.245 1.00 0.00 N ATOM 214 CA SER A 14 2.270 -9.818 1.391 1.00 0.00 C ATOM 215 C SER A 14 0.769 -9.687 1.166 1.00 0.00 C ATOM 216 O SER A 14 0.058 -9.106 1.986 1.00 0.00 O ATOM 217 CB SER A 14 2.581 -11.167 2.009 1.00 0.00 C ATOM 218 OG SER A 14 1.848 -11.362 3.187 1.00 0.00 O ATOM 0 H SER A 14 3.028 -9.046 3.186 1.00 0.00 H new ATOM 0 HA SER A 14 2.769 -9.738 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.349 -11.959 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.647 -11.235 2.225 1.00 0.00 H new ATOM 0 HG SER A 14 1.323 -12.186 3.113 1.00 0.00 H new ATOM 224 N PRO A 15 0.292 -10.230 0.051 1.00 0.00 N ATOM 225 CA PRO A 15 -1.128 -10.188 -0.275 1.00 0.00 C ATOM 226 C PRO A 15 -1.924 -11.146 0.602 1.00 0.00 C ATOM 227 O PRO A 15 -3.154 -11.100 0.631 1.00 0.00 O ATOM 228 CB PRO A 15 -1.155 -10.613 -1.747 1.00 0.00 C ATOM 229 CG PRO A 15 0.033 -11.499 -1.894 1.00 0.00 C ATOM 230 CD PRO A 15 1.083 -10.866 -1.021 1.00 0.00 C ATOM 0 HA PRO A 15 -1.581 -9.211 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.077 -11.140 -1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.094 -9.751 -2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.189 -12.517 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.361 -11.555 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.777 -11.607 -0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.677 -10.136 -1.571 1.00 0.00 H new ATOM 238 N SER A 16 -1.215 -12.015 1.312 1.00 0.00 N ATOM 239 CA SER A 16 -1.845 -12.911 2.277 1.00 0.00 C ATOM 240 C SER A 16 -2.248 -12.163 3.542 1.00 0.00 C ATOM 241 O SER A 16 -3.001 -12.678 4.366 1.00 0.00 O ATOM 242 CB SER A 16 -0.904 -14.047 2.628 1.00 0.00 C ATOM 243 OG SER A 16 0.207 -13.575 3.341 1.00 0.00 O ATOM 0 H SER A 16 -0.203 -12.119 1.238 1.00 0.00 H new ATOM 0 HA SER A 16 -2.746 -13.318 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.433 -14.792 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.572 -14.544 1.717 1.00 0.00 H new ATOM 0 HG SER A 16 0.799 -14.325 3.558 1.00 0.00 H new ATOM 249 N ALA A 17 -1.740 -10.942 3.688 1.00 0.00 N ATOM 250 CA ALA A 17 -2.051 -10.119 4.851 1.00 0.00 C ATOM 251 C ALA A 17 -3.488 -9.620 4.803 1.00 0.00 C ATOM 252 O ALA A 17 -4.016 -9.315 3.734 1.00 0.00 O ATOM 253 CB ALA A 17 -1.086 -8.945 4.941 1.00 0.00 C ATOM 0 H ALA A 17 -1.112 -10.502 3.016 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.939 -10.737 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.330 -8.339 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.066 -9.319 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.170 -8.335 4.041 1.00 0.00 H new ATOM 259 N ASN A 18 -4.121 -9.541 5.970 1.00 0.00 N ATOM 260 CA ASN A 18 -5.466 -8.990 6.076 1.00 0.00 C ATOM 261 C ASN A 18 -5.432 -7.472 6.196 1.00 0.00 C ATOM 262 O ASN A 18 -4.362 -6.863 6.187 1.00 0.00 O ATOM 263 CB ASN A 18 -6.202 -9.601 7.255 1.00 0.00 C ATOM 264 CG ASN A 18 -5.597 -9.218 8.576 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.836 -8.247 8.665 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.920 -9.961 9.604 1.00 0.00 N ATOM 0 H ASN A 18 -3.723 -9.852 6.856 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.004 -9.242 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.245 -9.284 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.197 -10.687 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.540 -9.748 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.552 -10.752 9.483 1.00 0.00 H new ATOM 273 N GLU A 19 -6.609 -6.865 6.306 1.00 0.00 N ATOM 274 CA GLU A 19 -6.726 -5.411 6.285 1.00 0.00 C ATOM 275 C GLU A 19 -5.921 -4.778 7.413 1.00 0.00 C ATOM 276 O GLU A 19 -5.349 -3.700 7.251 1.00 0.00 O ATOM 277 CB GLU A 19 -8.195 -4.994 6.396 1.00 0.00 C ATOM 278 CG GLU A 19 -9.058 -5.410 5.214 1.00 0.00 C ATOM 279 CD GLU A 19 -9.529 -6.835 5.307 1.00 0.00 C ATOM 280 OE1 GLU A 19 -9.094 -7.528 6.195 1.00 0.00 O ATOM 281 OE2 GLU A 19 -10.325 -7.230 4.489 1.00 0.00 O ATOM 0 H GLU A 19 -7.496 -7.358 6.411 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.324 -5.057 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.614 -5.424 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.245 -3.910 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.923 -4.750 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.491 -5.279 4.292 1.00 0.00 H new ATOM 288 N GLN A 20 -5.881 -5.454 8.556 1.00 0.00 N ATOM 289 CA GLN A 20 -5.174 -4.941 9.724 1.00 0.00 C ATOM 290 C GLN A 20 -3.665 -4.970 9.510 1.00 0.00 C ATOM 291 O GLN A 20 -2.963 -4.016 9.850 1.00 0.00 O ATOM 292 CB GLN A 20 -5.539 -5.751 10.970 1.00 0.00 C ATOM 293 CG GLN A 20 -6.973 -5.563 11.436 1.00 0.00 C ATOM 294 CD GLN A 20 -7.324 -6.462 12.607 1.00 0.00 C ATOM 295 OE1 GLN A 20 -6.728 -7.524 12.793 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.298 -6.037 13.406 1.00 0.00 N ATOM 0 H GLN A 20 -6.330 -6.359 8.699 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.481 -3.905 9.870 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.371 -6.808 10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.866 -5.473 11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.126 -4.522 11.722 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.651 -5.769 10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.765 -5.151 13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.578 -6.597 14.211 1.00 0.00 H new ATOM 305 N GLU A 21 -3.172 -6.067 8.947 1.00 0.00 N ATOM 306 CA GLU A 21 -1.747 -6.216 8.678 1.00 0.00 C ATOM 307 C GLU A 21 -1.314 -5.342 7.508 1.00 0.00 C ATOM 308 O GLU A 21 -0.184 -4.855 7.471 1.00 0.00 O ATOM 309 CB GLU A 21 -1.410 -7.680 8.385 1.00 0.00 C ATOM 310 CG GLU A 21 -1.557 -8.610 9.582 1.00 0.00 C ATOM 311 CD GLU A 21 -0.645 -8.245 10.721 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.515 -8.013 10.478 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.109 -8.198 11.835 1.00 0.00 O ATOM 0 H GLU A 21 -3.739 -6.867 8.668 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.204 -5.894 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.056 -8.035 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.385 -7.738 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.590 -8.588 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.348 -9.633 9.269 1.00 0.00 H new ATOM 320 N LEU A 22 -2.218 -5.149 6.553 1.00 0.00 N ATOM 321 CA LEU A 22 -1.981 -4.223 5.452 1.00 0.00 C ATOM 322 C LEU A 22 -1.861 -2.790 5.954 1.00 0.00 C ATOM 323 O LEU A 22 -1.043 -2.014 5.458 1.00 0.00 O ATOM 324 CB LEU A 22 -3.118 -4.318 4.427 1.00 0.00 C ATOM 325 CG LEU A 22 -3.178 -5.622 3.620 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.475 -5.667 2.825 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.970 -5.706 2.700 1.00 0.00 C ATOM 0 H LEU A 22 -3.121 -5.622 6.520 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.040 -4.501 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.066 -4.192 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.025 -3.485 3.730 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.157 -6.479 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.518 -6.593 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.323 -5.624 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.514 -4.817 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.013 -6.632 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.973 -4.856 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.057 -5.690 3.296 1.00 0.00 H new ATOM 339 N LYS A 23 -2.681 -2.442 6.940 1.00 0.00 N ATOM 340 CA LYS A 23 -2.581 -1.144 7.597 1.00 0.00 C ATOM 341 C LYS A 23 -1.220 -0.965 8.257 1.00 0.00 C ATOM 342 O LYS A 23 -0.607 0.098 8.157 1.00 0.00 O ATOM 343 CB LYS A 23 -3.694 -0.984 8.635 1.00 0.00 C ATOM 344 CG LYS A 23 -3.691 0.356 9.359 1.00 0.00 C ATOM 345 CD LYS A 23 -4.875 0.476 10.307 1.00 0.00 C ATOM 346 CE LYS A 23 -4.863 1.807 11.043 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.017 1.938 11.975 1.00 0.00 N ATOM 0 H LYS A 23 -3.423 -3.041 7.302 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.694 -0.373 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.657 -1.114 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.604 -1.782 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.762 0.467 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.723 1.166 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.804 0.377 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.850 -0.341 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.932 1.904 11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.887 2.622 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.972 2.859 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.906 1.871 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.981 1.176 12.682 1.00 0.00 H new ATOM 361 N LYS A 24 -0.753 -2.009 8.933 1.00 0.00 N ATOM 362 CA LYS A 24 0.571 -1.994 9.546 1.00 0.00 C ATOM 363 C LYS A 24 1.656 -1.744 8.507 1.00 0.00 C ATOM 364 O LYS A 24 2.604 -1.000 8.755 1.00 0.00 O ATOM 365 CB LYS A 24 0.836 -3.311 10.277 1.00 0.00 C ATOM 366 CG LYS A 24 0.003 -3.510 11.537 1.00 0.00 C ATOM 367 CD LYS A 24 0.283 -4.863 12.176 1.00 0.00 C ATOM 368 CE LYS A 24 -0.620 -5.105 13.376 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.412 -6.457 13.964 1.00 0.00 N ATOM 0 H LYS A 24 -1.271 -2.877 9.071 1.00 0.00 H new ATOM 0 HA LYS A 24 0.596 -1.177 10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.642 -4.137 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.892 -3.359 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.223 -2.716 12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.056 -3.433 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.133 -5.653 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.326 -4.911 12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.427 -4.346 14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.662 -4.997 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.021 -6.570 14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.653 -7.183 13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.584 -6.564 14.245 1.00 0.00 H new ATOM 383 N GLY A 25 1.510 -2.369 7.345 1.00 0.00 N ATOM 384 CA GLY A 25 2.423 -2.138 6.231 1.00 0.00 C ATOM 385 C GLY A 25 2.435 -0.671 5.823 1.00 0.00 C ATOM 386 O GLY A 25 3.494 -0.092 5.583 1.00 0.00 O ATOM 0 H GLY A 25 0.768 -3.040 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.429 -2.448 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.126 -2.752 5.381 1.00 0.00 H new ATOM 390 N TYR A 26 1.251 -0.073 5.748 1.00 0.00 N ATOM 391 CA TYR A 26 1.126 1.342 5.417 1.00 0.00 C ATOM 392 C TYR A 26 1.813 2.214 6.458 1.00 0.00 C ATOM 393 O TYR A 26 2.546 3.143 6.118 1.00 0.00 O ATOM 394 CB TYR A 26 -0.349 1.733 5.287 1.00 0.00 C ATOM 395 CG TYR A 26 -0.570 3.210 5.059 1.00 0.00 C ATOM 396 CD1 TYR A 26 -0.020 3.831 3.946 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.322 3.947 5.962 1.00 0.00 C ATOM 398 CE1 TYR A 26 -0.223 5.181 3.737 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.525 5.298 5.753 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.978 5.914 4.645 1.00 0.00 C ATOM 401 OH TYR A 26 -1.179 7.260 4.438 1.00 0.00 O ATOM 0 H TYR A 26 0.363 -0.547 5.912 1.00 0.00 H new ATOM 0 HA TYR A 26 1.620 1.506 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.791 1.177 4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.876 1.432 6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.567 3.258 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.749 3.465 6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.203 5.665 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.111 5.871 6.456 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.020 7.473 3.495 1.00 0.00 H new ATOM 411 N ARG A 27 1.574 1.910 7.729 1.00 0.00 N ATOM 412 CA ARG A 27 2.169 2.667 8.824 1.00 0.00 C ATOM 413 C ARG A 27 3.690 2.654 8.741 1.00 0.00 C ATOM 414 O ARG A 27 4.341 3.679 8.941 1.00 0.00 O ATOM 415 CB ARG A 27 1.733 2.100 10.167 1.00 0.00 C ATOM 416 CG ARG A 27 0.269 2.329 10.512 1.00 0.00 C ATOM 417 CD ARG A 27 -0.110 1.649 11.777 1.00 0.00 C ATOM 418 NE ARG A 27 0.559 2.237 12.929 1.00 0.00 N ATOM 419 CZ ARG A 27 0.593 1.684 14.158 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.005 0.534 14.378 1.00 0.00 N ATOM 421 NH2 ARG A 27 1.228 2.297 15.140 1.00 0.00 N ATOM 0 H ARG A 27 0.971 1.143 8.027 1.00 0.00 H new ATOM 0 HA ARG A 27 1.822 3.696 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.930 1.028 10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.350 2.542 10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.079 3.399 10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.358 1.962 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.190 1.711 11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.143 0.591 11.711 1.00 0.00 H new ATOM 0 HE ARG A 27 1.035 3.129 12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.495 0.060 13.619 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.021 0.115 15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.693 3.189 14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.254 1.879 16.070 1.00 0.00 H new ATOM 435 N LYS A 28 4.250 1.487 8.443 1.00 0.00 N ATOM 436 CA LYS A 28 5.694 1.346 8.291 1.00 0.00 C ATOM 437 C LYS A 28 6.193 2.094 7.062 1.00 0.00 C ATOM 438 O LYS A 28 7.205 2.794 7.118 1.00 0.00 O ATOM 439 CB LYS A 28 6.081 -0.131 8.201 1.00 0.00 C ATOM 440 CG LYS A 28 5.916 -0.905 9.503 1.00 0.00 C ATOM 441 CD LYS A 28 6.286 -2.369 9.325 1.00 0.00 C ATOM 442 CE LYS A 28 6.103 -3.148 10.619 1.00 0.00 C ATOM 443 NZ LYS A 28 6.441 -4.588 10.456 1.00 0.00 N ATOM 0 H LYS A 28 3.726 0.624 8.302 1.00 0.00 H new ATOM 0 HA LYS A 28 6.167 1.782 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.475 -0.607 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.120 -0.203 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.544 -0.460 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.885 -0.827 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.668 -2.810 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.322 -2.447 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.733 -2.714 11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.071 -3.054 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.303 -5.082 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.823 -5.010 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.434 -4.680 10.160 1.00 0.00 H new ATOM 457 N ALA A 29 5.479 1.944 5.952 1.00 0.00 N ATOM 458 CA ALA A 29 5.843 2.613 4.710 1.00 0.00 C ATOM 459 C ALA A 29 5.718 4.126 4.841 1.00 0.00 C ATOM 460 O ALA A 29 6.524 4.876 4.289 1.00 0.00 O ATOM 461 CB ALA A 29 4.979 2.110 3.563 1.00 0.00 C ATOM 0 H ALA A 29 4.643 1.363 5.888 1.00 0.00 H new ATOM 0 HA ALA A 29 6.886 2.378 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.264 2.620 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.123 1.036 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.931 2.313 3.781 1.00 0.00 H new ATOM 467 N ALA A 30 4.704 4.569 5.577 1.00 0.00 N ATOM 468 CA ALA A 30 4.483 5.994 5.798 1.00 0.00 C ATOM 469 C ALA A 30 5.657 6.624 6.538 1.00 0.00 C ATOM 470 O ALA A 30 6.079 7.736 6.219 1.00 0.00 O ATOM 471 CB ALA A 30 3.192 6.215 6.570 1.00 0.00 C ATOM 0 H ALA A 30 4.022 3.962 6.031 1.00 0.00 H new ATOM 0 HA ALA A 30 4.399 6.477 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.040 7.283 6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.355 5.809 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.254 5.711 7.535 1.00 0.00 H new ATOM 477 N LEU A 31 6.180 5.908 7.527 1.00 0.00 N ATOM 478 CA LEU A 31 7.383 6.336 8.231 1.00 0.00 C ATOM 479 C LEU A 31 8.603 6.276 7.321 1.00 0.00 C ATOM 480 O LEU A 31 9.450 7.169 7.343 1.00 0.00 O ATOM 481 CB LEU A 31 7.614 5.460 9.467 1.00 0.00 C ATOM 482 CG LEU A 31 6.599 5.631 10.604 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.848 4.573 11.670 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.718 7.031 11.185 1.00 0.00 C ATOM 0 H LEU A 31 5.789 5.027 7.860 1.00 0.00 H new ATOM 0 HA LEU A 31 7.238 7.370 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.610 4.416 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.609 5.672 9.858 1.00 0.00 H new ATOM 0 HG LEU A 31 5.586 5.503 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.127 4.694 12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.738 3.581 11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.858 4.685 12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.996 7.152 11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.726 7.179 11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.517 7.766 10.406 1.00 0.00 H new ATOM 496 N LYS A 32 8.687 5.219 6.520 1.00 0.00 N ATOM 497 CA LYS A 32 9.803 5.042 5.599 1.00 0.00 C ATOM 498 C LYS A 32 9.914 6.218 4.637 1.00 0.00 C ATOM 499 O LYS A 32 11.008 6.724 4.385 1.00 0.00 O ATOM 500 CB LYS A 32 9.650 3.736 4.818 1.00 0.00 C ATOM 501 CG LYS A 32 10.790 3.445 3.850 1.00 0.00 C ATOM 502 CD LYS A 32 10.606 2.096 3.170 1.00 0.00 C ATOM 503 CE LYS A 32 11.741 1.806 2.199 1.00 0.00 C ATOM 504 NZ LYS A 32 11.586 0.479 1.543 1.00 0.00 N ATOM 0 H LYS A 32 7.994 4.471 6.490 1.00 0.00 H new ATOM 0 HA LYS A 32 10.719 4.996 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.571 2.911 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.714 3.768 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.840 4.231 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.738 3.458 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.560 1.310 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.656 2.082 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.775 2.585 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.691 1.839 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.379 0.320 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.579 -0.267 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.691 0.456 1.013 1.00 0.00 H new ATOM 518 N TYR A 33 8.777 6.648 4.102 1.00 0.00 N ATOM 519 CA TYR A 33 8.751 7.728 3.123 1.00 0.00 C ATOM 520 C TYR A 33 8.197 9.010 3.731 1.00 0.00 C ATOM 521 O TYR A 33 7.677 9.872 3.021 1.00 0.00 O ATOM 522 CB TYR A 33 7.926 7.322 1.900 1.00 0.00 C ATOM 523 CG TYR A 33 8.414 6.058 1.226 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.598 4.936 1.183 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.675 6.021 0.652 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.044 3.782 0.568 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.120 4.868 0.037 1.00 0.00 C ATOM 528 CZ TYR A 33 9.309 3.750 -0.005 1.00 0.00 C ATOM 529 OH TYR A 33 9.754 2.602 -0.617 1.00 0.00 O ATOM 0 H TYR A 33 7.860 6.264 4.330 1.00 0.00 H new ATOM 0 HA TYR A 33 9.777 7.919 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.888 7.183 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.941 8.137 1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.615 4.965 1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.310 6.894 0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.411 2.908 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.102 4.840 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 33 10.658 2.747 -0.967 1.00 0.00 H new ATOM 539 N HIS A 34 8.312 9.131 5.049 1.00 0.00 N ATOM 540 CA HIS A 34 7.780 10.287 5.762 1.00 0.00 C ATOM 541 C HIS A 34 8.522 11.560 5.376 1.00 0.00 C ATOM 542 O HIS A 34 9.752 11.583 5.324 1.00 0.00 O ATOM 543 CB HIS A 34 7.870 10.076 7.277 1.00 0.00 C ATOM 544 CG HIS A 34 7.006 11.012 8.065 1.00 0.00 C ATOM 545 ND1 HIS A 34 7.322 12.343 8.244 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.841 10.809 8.722 1.00 0.00 C ATOM 547 CE1 HIS A 34 6.385 12.918 8.977 1.00 0.00 C ATOM 548 NE2 HIS A 34 5.476 12.009 9.281 1.00 0.00 N ATOM 0 H HIS A 34 8.769 8.442 5.646 1.00 0.00 H new ATOM 0 HA HIS A 34 6.733 10.396 5.479 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.586 9.050 7.510 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.906 10.199 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.299 9.877 8.793 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.366 13.955 9.277 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.639 12.172 9.840 1.00 0.00 H new ATOM 556 N PRO A 35 7.767 12.620 5.106 1.00 0.00 N ATOM 557 CA PRO A 35 8.343 13.867 4.619 1.00 0.00 C ATOM 558 C PRO A 35 9.446 14.363 5.543 1.00 0.00 C ATOM 559 O PRO A 35 10.423 14.965 5.094 1.00 0.00 O ATOM 560 CB PRO A 35 7.143 14.820 4.608 1.00 0.00 C ATOM 561 CG PRO A 35 5.977 13.939 4.316 1.00 0.00 C ATOM 562 CD PRO A 35 6.268 12.671 5.075 1.00 0.00 C ATOM 0 HA PRO A 35 8.817 13.771 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.029 15.327 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.257 15.594 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.043 14.394 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.880 13.749 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.846 12.698 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.847 11.798 4.576 1.00 0.00 H new ATOM 570 N ASP A 36 9.288 14.108 6.837 1.00 0.00 N ATOM 571 CA ASP A 36 10.167 14.684 7.846 1.00 0.00 C ATOM 572 C ASP A 36 11.324 13.748 8.170 1.00 0.00 C ATOM 573 O ASP A 36 12.036 13.941 9.154 1.00 0.00 O ATOM 574 CB ASP A 36 9.385 14.997 9.125 1.00 0.00 C ATOM 575 CG ASP A 36 8.363 16.111 8.936 1.00 0.00 C ATOM 576 OD1 ASP A 36 8.546 16.914 8.052 1.00 0.00 O ATOM 577 OD2 ASP A 36 7.410 16.148 9.677 1.00 0.00 O ATOM 0 H ASP A 36 8.557 13.504 7.212 1.00 0.00 H new ATOM 0 HA ASP A 36 10.574 15.609 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.874 14.095 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.084 15.281 9.912 1.00 0.00 H new ATOM 582 N LYS A 37 11.507 12.731 7.333 1.00 0.00 N ATOM 583 CA LYS A 37 12.623 11.806 7.484 1.00 0.00 C ATOM 584 C LYS A 37 13.622 11.956 6.345 1.00 0.00 C ATOM 585 O LYS A 37 13.273 12.419 5.257 1.00 0.00 O ATOM 586 CB LYS A 37 12.117 10.364 7.555 1.00 0.00 C ATOM 587 CG LYS A 37 11.210 10.072 8.742 1.00 0.00 C ATOM 588 CD LYS A 37 11.970 10.176 10.057 1.00 0.00 C ATOM 589 CE LYS A 37 11.091 9.791 11.238 1.00 0.00 C ATOM 590 NZ LYS A 37 11.802 9.945 12.535 1.00 0.00 N ATOM 0 H LYS A 37 10.895 12.527 6.543 1.00 0.00 H new ATOM 0 HA LYS A 37 13.133 12.048 8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.577 10.136 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.975 9.693 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.375 10.773 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.787 9.072 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.845 9.527 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.334 11.195 10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.195 10.411 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.763 8.758 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.168 9.672 13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.644 9.334 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.092 10.936 12.656 1.00 0.00 H new ATOM 604 N PRO A 38 14.865 11.563 6.599 1.00 0.00 N ATOM 605 CA PRO A 38 15.919 11.661 5.596 1.00 0.00 C ATOM 606 C PRO A 38 15.532 10.928 4.317 1.00 0.00 C ATOM 607 O PRO A 38 15.924 11.326 3.220 1.00 0.00 O ATOM 608 CB PRO A 38 17.115 10.995 6.287 1.00 0.00 C ATOM 609 CG PRO A 38 16.869 11.221 7.739 1.00 0.00 C ATOM 610 CD PRO A 38 15.378 11.070 7.895 1.00 0.00 C ATOM 0 HA PRO A 38 16.124 12.685 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.169 9.932 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.058 11.440 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.408 10.497 8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.203 12.211 8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.093 10.034 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.997 11.656 8.731 1.00 0.00 H new ATOM 618 N THR A 39 14.761 9.855 4.466 1.00 0.00 N ATOM 619 CA THR A 39 14.372 9.029 3.330 1.00 0.00 C ATOM 620 C THR A 39 12.964 9.373 2.857 1.00 0.00 C ATOM 621 O THR A 39 12.306 8.564 2.201 1.00 0.00 O ATOM 622 CB THR A 39 14.449 7.531 3.680 1.00 0.00 C ATOM 623 OG1 THR A 39 13.598 7.255 4.798 1.00 0.00 O ATOM 624 CG2 THR A 39 15.878 7.139 4.025 1.00 0.00 C ATOM 0 H THR A 39 14.394 9.538 5.363 1.00 0.00 H new ATOM 0 HA THR A 39 15.075 9.238 2.523 1.00 0.00 H new ATOM 0 HB THR A 39 14.122 6.953 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.726 6.944 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.915 6.078 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.526 7.337 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.218 7.721 4.881 1.00 0.00 H new ATOM 632 N GLY A 40 12.508 10.574 3.195 1.00 0.00 N ATOM 633 CA GLY A 40 11.164 11.012 2.836 1.00 0.00 C ATOM 634 C GLY A 40 10.981 11.048 1.324 1.00 0.00 C ATOM 635 O GLY A 40 11.906 11.391 0.586 1.00 0.00 O ATOM 0 H GLY A 40 13.050 11.262 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.429 10.339 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.979 12.003 3.251 1.00 0.00 H new ATOM 639 N ASP A 41 9.784 10.693 0.870 1.00 0.00 N ATOM 640 CA ASP A 41 9.480 10.678 -0.556 1.00 0.00 C ATOM 641 C ASP A 41 8.001 10.939 -0.806 1.00 0.00 C ATOM 642 O ASP A 41 7.176 10.031 -0.709 1.00 0.00 O ATOM 643 CB ASP A 41 9.881 9.338 -1.177 1.00 0.00 C ATOM 644 CG ASP A 41 9.661 9.292 -2.683 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.821 10.015 -3.163 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.336 8.534 -3.338 1.00 0.00 O ATOM 0 H ASP A 41 9.008 10.412 1.469 1.00 0.00 H new ATOM 0 HA ASP A 41 10.056 11.476 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.932 9.144 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.307 8.539 -0.707 1.00 0.00 H new ATOM 651 N THR A 42 7.672 12.184 -1.130 1.00 0.00 N ATOM 652 CA THR A 42 6.279 12.603 -1.246 1.00 0.00 C ATOM 653 C THR A 42 5.546 11.787 -2.303 1.00 0.00 C ATOM 654 O THR A 42 4.400 11.382 -2.104 1.00 0.00 O ATOM 655 CB THR A 42 6.178 14.102 -1.587 1.00 0.00 C ATOM 656 OG1 THR A 42 6.766 14.875 -0.534 1.00 0.00 O ATOM 657 CG2 THR A 42 4.723 14.511 -1.761 1.00 0.00 C ATOM 0 H THR A 42 8.351 12.922 -1.317 1.00 0.00 H new ATOM 0 HA THR A 42 5.807 12.429 -0.279 1.00 0.00 H new ATOM 0 HB THR A 42 6.710 14.284 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.703 15.828 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.670 15.573 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.277 13.933 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.178 14.321 -0.836 1.00 0.00 H new ATOM 665 N GLU A 43 6.211 11.549 -3.428 1.00 0.00 N ATOM 666 CA GLU A 43 5.619 10.788 -4.522 1.00 0.00 C ATOM 667 C GLU A 43 5.190 9.401 -4.059 1.00 0.00 C ATOM 668 O GLU A 43 4.040 9.004 -4.245 1.00 0.00 O ATOM 669 CB GLU A 43 6.609 10.666 -5.683 1.00 0.00 C ATOM 670 CG GLU A 43 6.070 9.913 -6.891 1.00 0.00 C ATOM 671 CD GLU A 43 7.046 9.868 -8.034 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.103 10.438 -7.911 1.00 0.00 O ATOM 673 OE2 GLU A 43 6.734 9.262 -9.032 1.00 0.00 O ATOM 0 H GLU A 43 7.162 11.873 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 43 4.733 11.325 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.907 11.666 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.508 10.162 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.817 8.895 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.147 10.386 -7.226 1.00 0.00 H new ATOM 680 N LYS A 44 6.122 8.669 -3.456 1.00 0.00 N ATOM 681 CA LYS A 44 5.843 7.323 -2.974 1.00 0.00 C ATOM 682 C LYS A 44 4.899 7.349 -1.779 1.00 0.00 C ATOM 683 O LYS A 44 4.100 6.433 -1.585 1.00 0.00 O ATOM 684 CB LYS A 44 7.142 6.608 -2.599 1.00 0.00 C ATOM 685 CG LYS A 44 8.002 6.203 -3.790 1.00 0.00 C ATOM 686 CD LYS A 44 9.194 5.363 -3.351 1.00 0.00 C ATOM 687 CE LYS A 44 10.041 4.940 -4.540 1.00 0.00 C ATOM 688 NZ LYS A 44 10.670 6.106 -5.219 1.00 0.00 N ATOM 0 H LYS A 44 7.077 8.987 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 44 5.357 6.776 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.726 7.259 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.898 5.716 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.399 5.639 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.354 7.095 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.805 5.933 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.842 4.479 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.818 4.253 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.420 4.397 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.192 6.279 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.582 6.948 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.676 5.907 -5.390 1.00 0.00 H new ATOM 702 N PHE A 45 4.993 8.406 -0.979 1.00 0.00 N ATOM 703 CA PHE A 45 4.098 8.592 0.156 1.00 0.00 C ATOM 704 C PHE A 45 2.643 8.633 -0.291 1.00 0.00 C ATOM 705 O PHE A 45 1.765 8.076 0.369 1.00 0.00 O ATOM 706 CB PHE A 45 4.444 9.880 0.905 1.00 0.00 C ATOM 707 CG PHE A 45 3.748 10.017 2.229 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.588 10.769 2.344 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.251 9.396 3.361 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.946 10.895 3.562 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.612 9.522 4.580 1.00 0.00 C ATOM 712 CZ PHE A 45 2.458 10.271 4.679 1.00 0.00 C ATOM 0 H PHE A 45 5.682 9.149 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 45 4.230 7.741 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.521 9.917 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.185 10.734 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.182 11.261 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.153 8.807 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.043 11.483 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.016 9.034 5.455 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.956 10.368 5.630 1.00 0.00 H new ATOM 722 N LYS A 46 2.392 9.295 -1.416 1.00 0.00 N ATOM 723 CA LYS A 46 1.064 9.310 -2.016 1.00 0.00 C ATOM 724 C LYS A 46 0.703 7.946 -2.590 1.00 0.00 C ATOM 725 O LYS A 46 -0.447 7.513 -2.511 1.00 0.00 O ATOM 726 CB LYS A 46 0.982 10.379 -3.107 1.00 0.00 C ATOM 727 CG LYS A 46 1.013 11.811 -2.589 1.00 0.00 C ATOM 728 CD LYS A 46 0.953 12.813 -3.732 1.00 0.00 C ATOM 729 CE LYS A 46 0.962 14.244 -3.214 1.00 0.00 C ATOM 730 NZ LYS A 46 0.928 15.237 -4.322 1.00 0.00 N ATOM 0 H LYS A 46 3.093 9.829 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 46 0.346 9.549 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.812 10.238 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.064 10.231 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.172 11.974 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.922 11.971 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.802 12.660 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.052 12.643 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.103 14.399 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.855 14.405 -2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.935 16.199 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.761 15.107 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.064 15.100 -4.884 1.00 0.00 H new ATOM 744 N GLU A 47 1.691 7.273 -3.169 1.00 0.00 N ATOM 745 CA GLU A 47 1.471 5.973 -3.792 1.00 0.00 C ATOM 746 C GLU A 47 1.051 4.933 -2.761 1.00 0.00 C ATOM 747 O GLU A 47 0.141 4.139 -3.002 1.00 0.00 O ATOM 748 CB GLU A 47 2.737 5.506 -4.515 1.00 0.00 C ATOM 749 CG GLU A 47 3.056 6.279 -5.786 1.00 0.00 C ATOM 750 CD GLU A 47 4.353 5.856 -6.419 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.100 5.152 -5.783 1.00 0.00 O ATOM 752 OE2 GLU A 47 4.597 6.236 -7.540 1.00 0.00 O ATOM 0 H GLU A 47 2.654 7.607 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 47 0.665 6.083 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.582 5.589 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.630 4.450 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.246 6.141 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.100 7.344 -5.556 1.00 0.00 H new ATOM 759 N ILE A 48 1.718 4.943 -1.612 1.00 0.00 N ATOM 760 CA ILE A 48 1.421 3.993 -0.547 1.00 0.00 C ATOM 761 C ILE A 48 0.106 4.332 0.143 1.00 0.00 C ATOM 762 O ILE A 48 -0.543 3.462 0.725 1.00 0.00 O ATOM 763 CB ILE A 48 2.555 3.962 0.493 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.700 5.331 1.166 1.00 0.00 C ATOM 765 CG2 ILE A 48 3.864 3.545 -0.158 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.629 5.331 2.357 1.00 0.00 C ATOM 0 H ILE A 48 2.468 5.599 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 48 1.332 3.008 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 48 2.303 3.227 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.066 6.049 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.716 5.674 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.654 3.529 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.754 2.551 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.123 4.256 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.680 6.335 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.254 4.639 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.625 5.019 2.042 1.00 0.00 H new ATOM 778 N SER A 49 -0.282 5.600 0.075 1.00 0.00 N ATOM 779 CA SER A 49 -1.588 6.030 0.559 1.00 0.00 C ATOM 780 C SER A 49 -2.706 5.498 -0.329 1.00 0.00 C ATOM 781 O SER A 49 -3.764 5.099 0.161 1.00 0.00 O ATOM 782 CB SER A 49 -1.653 7.543 0.618 1.00 0.00 C ATOM 783 OG SER A 49 -0.777 8.046 1.588 1.00 0.00 O ATOM 0 H SER A 49 0.291 6.350 -0.312 1.00 0.00 H new ATOM 0 HA SER A 49 -1.725 5.625 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.400 7.960 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.672 7.858 0.844 1.00 0.00 H new ATOM 0 HG SER A 49 0.131 8.080 1.222 1.00 0.00 H new ATOM 789 N GLU A 50 -2.467 5.496 -1.636 1.00 0.00 N ATOM 790 CA GLU A 50 -3.358 4.827 -2.576 1.00 0.00 C ATOM 791 C GLU A 50 -3.376 3.322 -2.345 1.00 0.00 C ATOM 792 O GLU A 50 -4.433 2.692 -2.375 1.00 0.00 O ATOM 793 CB GLU A 50 -2.936 5.129 -4.016 1.00 0.00 C ATOM 794 CG GLU A 50 -3.245 6.544 -4.480 1.00 0.00 C ATOM 795 CD GLU A 50 -2.729 6.833 -5.862 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.996 6.027 -6.382 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.067 7.862 -6.398 1.00 0.00 O ATOM 0 H GLU A 50 -1.663 5.951 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.365 5.209 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.864 4.955 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.434 4.425 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.324 6.700 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.808 7.254 -3.779 1.00 0.00 H new ATOM 804 N ALA A 51 -2.199 2.750 -2.114 1.00 0.00 N ATOM 805 CA ALA A 51 -2.086 1.333 -1.792 1.00 0.00 C ATOM 806 C ALA A 51 -2.910 0.980 -0.561 1.00 0.00 C ATOM 807 O ALA A 51 -3.609 -0.034 -0.539 1.00 0.00 O ATOM 808 CB ALA A 51 -0.628 0.952 -1.581 1.00 0.00 C ATOM 0 H ALA A 51 -1.309 3.247 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.480 0.764 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.560 -0.109 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.063 1.155 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.214 1.537 -0.759 1.00 0.00 H new ATOM 814 N PHE A 52 -2.824 1.822 0.463 1.00 0.00 N ATOM 815 CA PHE A 52 -3.584 1.615 1.691 1.00 0.00 C ATOM 816 C PHE A 52 -5.081 1.583 1.413 1.00 0.00 C ATOM 817 O PHE A 52 -5.761 0.609 1.737 1.00 0.00 O ATOM 818 CB PHE A 52 -3.272 2.719 2.704 1.00 0.00 C ATOM 819 CG PHE A 52 -4.124 2.665 3.939 1.00 0.00 C ATOM 820 CD1 PHE A 52 -4.004 1.615 4.838 1.00 0.00 C ATOM 821 CD2 PHE A 52 -5.049 3.664 4.206 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.788 1.564 5.975 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.833 3.617 5.342 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.702 2.565 6.228 1.00 0.00 C ATOM 0 H PHE A 52 -2.235 2.655 0.467 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.289 0.651 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.224 2.648 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.405 3.688 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.289 0.828 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.157 4.489 3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.685 0.740 6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.548 4.402 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.314 2.527 7.117 1.00 0.00 H new ATOM 834 N GLU A 53 -5.590 2.653 0.811 1.00 0.00 N ATOM 835 CA GLU A 53 -7.015 2.766 0.526 1.00 0.00 C ATOM 836 C GLU A 53 -7.507 1.587 -0.304 1.00 0.00 C ATOM 837 O GLU A 53 -8.505 0.951 0.034 1.00 0.00 O ATOM 838 CB GLU A 53 -7.310 4.077 -0.207 1.00 0.00 C ATOM 839 CG GLU A 53 -8.774 4.275 -0.576 1.00 0.00 C ATOM 840 CD GLU A 53 -9.018 5.553 -1.329 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.127 6.365 -1.389 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.099 5.717 -1.845 1.00 0.00 O ATOM 0 H GLU A 53 -5.036 3.455 0.511 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.546 2.760 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.990 4.910 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.710 4.114 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.108 3.433 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.376 4.273 0.333 1.00 0.00 H new ATOM 849 N ILE A 54 -6.799 1.301 -1.392 1.00 0.00 N ATOM 850 CA ILE A 54 -7.214 0.259 -2.323 1.00 0.00 C ATOM 851 C ILE A 54 -7.215 -1.109 -1.653 1.00 0.00 C ATOM 852 O ILE A 54 -8.161 -1.884 -1.801 1.00 0.00 O ATOM 853 CB ILE A 54 -6.294 0.225 -3.557 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.504 1.478 -4.412 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.547 -1.030 -4.376 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.435 1.687 -5.461 1.00 0.00 C ATOM 0 H ILE A 54 -5.935 1.777 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.229 0.495 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.258 0.208 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.475 1.413 -4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.535 2.351 -3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.888 -1.037 -5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.350 -1.910 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.585 -1.044 -4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.652 2.593 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.464 1.785 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.418 0.833 -6.138 1.00 0.00 H new ATOM 868 N LEU A 55 -6.149 -1.402 -0.914 1.00 0.00 N ATOM 869 CA LEU A 55 -5.931 -2.740 -0.380 1.00 0.00 C ATOM 870 C LEU A 55 -6.658 -2.930 0.945 1.00 0.00 C ATOM 871 O LEU A 55 -6.975 -4.054 1.336 1.00 0.00 O ATOM 872 CB LEU A 55 -4.432 -2.996 -0.187 1.00 0.00 C ATOM 873 CG LEU A 55 -3.582 -2.959 -1.465 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.116 -3.167 -1.105 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.066 -4.032 -2.427 1.00 0.00 C ATOM 0 H LEU A 55 -5.422 -0.729 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.332 -3.455 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.042 -2.253 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.306 -3.971 0.283 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.683 -1.989 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.511 -3.141 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.791 -2.376 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.995 -4.134 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.463 -4.006 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.972 -5.011 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.110 -3.849 -2.680 1.00 0.00 H new ATOM 887 N ASN A 56 -6.923 -1.824 1.633 1.00 0.00 N ATOM 888 CA ASN A 56 -7.699 -1.857 2.866 1.00 0.00 C ATOM 889 C ASN A 56 -9.166 -2.159 2.587 1.00 0.00 C ATOM 890 O ASN A 56 -9.776 -2.994 3.254 1.00 0.00 O ATOM 891 CB ASN A 56 -7.558 -0.547 3.621 1.00 0.00 C ATOM 892 CG ASN A 56 -8.236 -0.577 4.962 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.893 -1.391 5.827 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.192 0.295 5.153 1.00 0.00 N ATOM 0 H ASN A 56 -6.611 -0.893 1.356 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.304 -2.660 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.500 -0.323 3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.980 0.260 3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.687 0.322 6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.442 0.948 4.411 1.00 0.00 H new ATOM 901 N ASP A 57 -9.728 -1.474 1.596 1.00 0.00 N ATOM 902 CA ASP A 57 -11.086 -1.752 1.146 1.00 0.00 C ATOM 903 C ASP A 57 -11.182 -3.127 0.497 1.00 0.00 C ATOM 904 O ASP A 57 -10.572 -3.377 -0.542 1.00 0.00 O ATOM 905 CB ASP A 57 -11.553 -0.681 0.157 1.00 0.00 C ATOM 906 CG ASP A 57 -13.005 -0.860 -0.267 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.564 -1.893 0.016 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.540 0.039 -0.871 1.00 0.00 O ATOM 0 H ASP A 57 -9.262 -0.721 1.089 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.733 -1.738 2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.430 0.303 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.916 -0.707 -0.727 1.00 0.00 H new ATOM 913 N PRO A 58 -11.949 -4.016 1.118 1.00 0.00 N ATOM 914 CA PRO A 58 -12.106 -5.376 0.616 1.00 0.00 C ATOM 915 C PRO A 58 -12.511 -5.378 -0.853 1.00 0.00 C ATOM 916 O PRO A 58 -12.098 -6.248 -1.619 1.00 0.00 O ATOM 917 CB PRO A 58 -13.213 -5.947 1.508 1.00 0.00 C ATOM 918 CG PRO A 58 -13.044 -5.230 2.804 1.00 0.00 C ATOM 919 CD PRO A 58 -12.677 -3.825 2.410 1.00 0.00 C ATOM 0 HA PRO A 58 -11.186 -5.959 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.200 -5.770 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.108 -7.025 1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.962 -5.251 3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.265 -5.688 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.559 -3.197 2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.048 -3.347 3.161 1.00 0.00 H new ATOM 927 N GLN A 59 -13.321 -4.398 -1.239 1.00 0.00 N ATOM 928 CA GLN A 59 -13.810 -4.304 -2.609 1.00 0.00 C ATOM 929 C GLN A 59 -12.685 -3.947 -3.572 1.00 0.00 C ATOM 930 O GLN A 59 -12.406 -4.687 -4.516 1.00 0.00 O ATOM 931 CB GLN A 59 -14.932 -3.267 -2.708 1.00 0.00 C ATOM 932 CG GLN A 59 -15.563 -3.161 -4.085 1.00 0.00 C ATOM 933 CD GLN A 59 -16.296 -4.427 -4.485 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.113 -4.955 -3.725 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.007 -4.924 -5.683 1.00 0.00 N ATOM 0 H GLN A 59 -13.653 -3.657 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.203 -5.281 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.707 -3.517 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.536 -2.291 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.259 -2.322 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -14.788 -2.945 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.325 -4.455 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.467 -5.775 -6.007 1.00 0.00 H new ATOM 944 N LYS A 60 -12.044 -2.809 -3.330 1.00 0.00 N ATOM 945 CA LYS A 60 -10.966 -2.339 -4.190 1.00 0.00 C ATOM 946 C LYS A 60 -9.788 -3.306 -4.175 1.00 0.00 C ATOM 947 O LYS A 60 -9.089 -3.464 -5.175 1.00 0.00 O ATOM 948 CB LYS A 60 -10.507 -0.944 -3.760 1.00 0.00 C ATOM 949 CG LYS A 60 -11.515 0.163 -4.038 1.00 0.00 C ATOM 950 CD LYS A 60 -10.986 1.517 -3.591 1.00 0.00 C ATOM 951 CE LYS A 60 -11.992 2.623 -3.866 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.486 3.956 -3.438 1.00 0.00 N ATOM 0 H LYS A 60 -12.253 -2.194 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.351 -2.286 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.288 -0.960 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.575 -0.707 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.741 0.192 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.449 -0.054 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.758 1.487 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.053 1.734 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.222 2.647 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.923 2.404 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.289 4.600 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.952 3.856 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.863 4.344 -4.175 1.00 0.00 H new ATOM 966 N ARG A 61 -9.573 -3.950 -3.033 1.00 0.00 N ATOM 967 CA ARG A 61 -8.525 -4.958 -2.907 1.00 0.00 C ATOM 968 C ARG A 61 -8.747 -6.107 -3.881 1.00 0.00 C ATOM 969 O ARG A 61 -7.833 -6.507 -4.603 1.00 0.00 O ATOM 970 CB ARG A 61 -8.475 -5.502 -1.487 1.00 0.00 C ATOM 971 CG ARG A 61 -7.408 -6.558 -1.246 1.00 0.00 C ATOM 972 CD ARG A 61 -7.543 -7.178 0.097 1.00 0.00 C ATOM 973 NE ARG A 61 -8.872 -7.728 0.310 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.346 -8.835 -0.295 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.591 -9.495 -1.145 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.571 -9.257 -0.035 1.00 0.00 N ATOM 0 H ARG A 61 -10.110 -3.792 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.576 -4.477 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.306 -4.672 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.448 -5.926 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.480 -7.330 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.421 -6.106 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.801 -7.969 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.332 -6.433 0.864 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.488 -7.243 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.646 -9.169 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.950 -10.333 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.158 -8.745 0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.930 -10.095 -0.493 1.00 0.00 H new ATOM 990 N GLU A 62 -9.966 -6.636 -3.899 1.00 0.00 N ATOM 991 CA GLU A 62 -10.321 -7.712 -4.815 1.00 0.00 C ATOM 992 C GLU A 62 -10.219 -7.256 -6.266 1.00 0.00 C ATOM 993 O GLU A 62 -9.776 -8.009 -7.133 1.00 0.00 O ATOM 994 CB GLU A 62 -11.739 -8.212 -4.527 1.00 0.00 C ATOM 995 CG GLU A 62 -11.860 -9.069 -3.274 1.00 0.00 C ATOM 996 CD GLU A 62 -11.166 -10.397 -3.405 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.109 -10.911 -4.496 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.692 -10.897 -2.412 1.00 0.00 O ATOM 0 H GLU A 62 -10.726 -6.336 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.615 -8.528 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.402 -7.352 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.089 -8.789 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.440 -8.527 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.915 -9.236 -3.054 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.632 -6.020 -6.523 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.513 -5.433 -7.853 1.00 0.00 C ATOM 1007 C ILE A 63 -9.057 -5.357 -8.293 1.00 0.00 C ATOM 1008 O ILE A 63 -8.729 -5.654 -9.442 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.137 -4.026 -7.891 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.656 -4.111 -7.722 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.780 -3.321 -9.190 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.318 -2.776 -7.471 1.00 0.00 C ATOM 0 H ILE A 63 -11.053 -5.404 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.054 -6.080 -8.543 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.732 -3.444 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.087 -4.557 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -12.883 -4.780 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.229 -2.328 -9.200 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.697 -3.230 -9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.158 -3.899 -10.033 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.393 -2.918 -7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.916 -2.336 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.123 -2.110 -8.311 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.186 -4.956 -7.372 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.754 -4.909 -7.641 1.00 0.00 C ATOM 1026 C TYR A 64 -6.200 -6.301 -7.914 1.00 0.00 C ATOM 1027 O TYR A 64 -5.501 -6.518 -8.906 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.011 -4.263 -6.470 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.513 -4.178 -6.671 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -3.984 -3.256 -7.562 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.671 -5.022 -5.963 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.617 -3.180 -7.743 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.303 -4.945 -6.144 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.776 -4.029 -7.031 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.414 -3.953 -7.213 1.00 0.00 O ATOM 0 H TYR A 64 -8.448 -4.659 -6.432 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.600 -4.302 -8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.405 -3.259 -6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.215 -4.833 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.640 -2.599 -8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.084 -5.740 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.202 -2.463 -8.436 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.647 -5.601 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.222 -3.645 -8.123 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.515 -7.242 -7.030 1.00 0.00 N ATOM 1046 CA ASP A 65 -5.985 -8.598 -7.133 1.00 0.00 C ATOM 1047 C ASP A 65 -6.474 -9.286 -8.401 1.00 0.00 C ATOM 1048 O ASP A 65 -5.733 -10.032 -9.038 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.387 -9.423 -5.909 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.688 -8.971 -4.634 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.725 -8.248 -4.732 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.125 -9.352 -3.573 1.00 0.00 O ATOM 0 H ASP A 65 -7.135 -7.091 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.898 -8.527 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.466 -9.355 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.155 -10.472 -6.092 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.727 -9.031 -8.760 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.347 -9.691 -9.904 1.00 0.00 C ATOM 1059 C GLN A 66 -7.995 -8.982 -11.206 1.00 0.00 C ATOM 1060 O GLN A 66 -7.453 -9.591 -12.128 1.00 0.00 O ATOM 1061 CB GLN A 66 -9.867 -9.747 -9.732 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.334 -10.670 -8.620 1.00 0.00 C ATOM 1063 CD GLN A 66 -11.841 -10.639 -8.437 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.595 -10.510 -9.406 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.287 -10.758 -7.192 1.00 0.00 N ATOM 0 H GLN A 66 -8.335 -8.371 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.958 -10.708 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.236 -8.741 -9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.316 -10.071 -10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.018 -11.690 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.851 -10.382 -7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.627 -10.863 -6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.290 -10.745 -7.006 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.308 -7.694 -11.275 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.309 -6.971 -12.541 1.00 0.00 C ATOM 1076 C TYR A 67 -7.019 -6.183 -12.726 1.00 0.00 C ATOM 1077 O TYR A 67 -6.465 -6.129 -13.824 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.519 -6.038 -12.625 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.848 -6.752 -12.523 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.267 -7.588 -13.549 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.651 -6.569 -11.407 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.482 -8.240 -13.455 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.866 -7.220 -11.314 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.281 -8.053 -12.333 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.490 -8.701 -12.241 1.00 0.00 O ATOM 0 H TYR A 67 -8.565 -7.127 -10.467 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.375 -7.704 -13.345 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.452 -5.299 -11.827 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.481 -5.493 -13.568 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.644 -7.729 -14.420 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.326 -5.917 -10.610 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.810 -8.893 -14.251 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.491 -7.077 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.629 -9.249 -13.042 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.545 -5.572 -11.646 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.247 -4.910 -11.648 1.00 0.00 C ATOM 1097 C GLY A 68 -5.358 -3.478 -11.138 1.00 0.00 C ATOM 1098 O GLY A 68 -6.392 -3.078 -10.602 1.00 0.00 O ATOM 0 H GLY A 68 -7.042 -5.522 -10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.550 -5.468 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.838 -4.908 -12.658 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.287 -2.711 -11.307 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.182 -1.395 -10.687 1.00 0.00 C ATOM 1104 C LEU A 69 -5.187 -0.420 -11.288 1.00 0.00 C ATOM 1105 O LEU A 69 -5.928 0.247 -10.566 1.00 0.00 O ATOM 1106 CB LEU A 69 -2.760 -0.841 -10.856 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.522 0.563 -10.286 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -2.809 0.560 -8.790 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.089 0.988 -10.566 1.00 0.00 C ATOM 0 H LEU A 69 -3.478 -2.978 -11.869 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.404 -1.507 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.062 -1.530 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.519 -0.827 -11.919 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.193 1.277 -10.764 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.640 1.558 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.846 0.270 -8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.147 -0.150 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.920 1.986 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.402 0.284 -10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.916 0.999 -11.642 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.207 -0.342 -12.615 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.023 0.644 -13.312 1.00 0.00 C ATOM 1123 C GLU A 70 -7.504 0.442 -13.017 1.00 0.00 C ATOM 1124 O GLU A 70 -8.266 1.403 -12.925 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.780 0.569 -14.821 1.00 0.00 C ATOM 1126 CG GLU A 70 -4.409 1.063 -15.262 1.00 0.00 C ATOM 1127 CD GLU A 70 -4.191 2.521 -14.969 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -4.951 3.324 -15.454 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -3.263 2.831 -14.259 1.00 0.00 O ATOM 0 H GLU A 70 -4.666 -0.951 -13.229 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.732 1.630 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.902 -0.464 -15.146 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.545 1.155 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.639 0.478 -14.760 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.293 0.891 -16.332 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.905 -0.818 -12.869 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.264 -1.143 -12.452 1.00 0.00 C ATOM 1138 C ALA A 71 -9.531 -0.675 -11.027 1.00 0.00 C ATOM 1139 O ALA A 71 -10.599 -0.143 -10.728 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.509 -2.642 -12.571 1.00 0.00 C ATOM 0 H ALA A 71 -7.308 -1.629 -13.032 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.953 -0.618 -13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.527 -2.870 -12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.371 -2.952 -13.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.804 -3.177 -11.935 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.552 -0.875 -10.151 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.662 -0.432 -8.766 1.00 0.00 C ATOM 1148 C ALA A 72 -8.697 1.088 -8.675 1.00 0.00 C ATOM 1149 O ALA A 72 -9.380 1.652 -7.821 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.508 -0.985 -7.940 1.00 0.00 C ATOM 0 H ALA A 72 -7.673 -1.341 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.600 -0.815 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.604 -0.646 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.530 -2.074 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.563 -0.631 -8.352 1.00 0.00 H new ATOM 1156 N ARG A 73 -7.957 1.746 -9.561 1.00 0.00 N ATOM 1157 CA ARG A 73 -7.928 3.203 -9.603 1.00 0.00 C ATOM 1158 C ARG A 73 -9.279 3.768 -10.022 1.00 0.00 C ATOM 1159 O ARG A 73 -9.727 4.785 -9.492 1.00 0.00 O ATOM 1160 CB ARG A 73 -6.856 3.689 -10.568 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.427 3.443 -10.114 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.442 3.932 -11.112 1.00 0.00 C ATOM 1163 NE ARG A 73 -4.402 5.385 -11.167 1.00 0.00 N ATOM 1164 CZ ARG A 73 -3.890 6.097 -12.190 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -3.382 5.479 -13.233 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -3.901 7.419 -12.145 1.00 0.00 N ATOM 0 H ARG A 73 -7.369 1.293 -10.260 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.697 3.556 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.005 3.200 -11.530 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.991 4.758 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.257 3.942 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.277 2.376 -9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.452 3.551 -10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.696 3.538 -12.096 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.788 5.901 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.375 4.460 -13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.995 6.019 -14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.297 7.898 -11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.514 7.959 -12.919 1.00 0.00 H new ATOM 1180 N SER A 74 -9.923 3.104 -10.975 1.00 0.00 N ATOM 1181 CA SER A 74 -11.253 3.500 -11.420 1.00 0.00 C ATOM 1182 C SER A 74 -12.328 2.990 -10.469 1.00 0.00 C ATOM 1183 O SER A 74 -13.421 3.551 -10.392 1.00 0.00 O ATOM 1184 CB SER A 74 -11.513 2.978 -12.819 1.00 0.00 C ATOM 1185 OG SER A 74 -11.583 1.578 -12.827 1.00 0.00 O ATOM 0 H SER A 74 -9.544 2.287 -11.455 1.00 0.00 H new ATOM 0 HA SER A 74 -11.293 4.589 -11.428 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.446 3.395 -13.199 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.719 3.310 -13.488 1.00 0.00 H new ATOM 0 HG SER A 74 -12.508 1.296 -12.670 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.011 1.921 -9.746 1.00 0.00 N ATOM 1192 CA GLY A 75 -12.952 1.328 -8.802 1.00 0.00 C ATOM 1193 C GLY A 75 -13.986 0.471 -9.519 1.00 0.00 C ATOM 1194 O GLY A 75 -15.152 0.431 -9.128 1.00 0.00 O ATOM 0 H GLY A 75 -11.109 1.447 -9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.410 0.719 -8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.455 2.117 -8.242 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.551 -0.215 -10.571 1.00 0.00 N ATOM 1199 CA GLY A 76 -14.459 -0.996 -11.405 1.00 0.00 C ATOM 1200 C GLY A 76 -14.779 -0.267 -12.703 1.00 0.00 C ATOM 1201 O GLY A 76 -14.030 0.610 -13.136 1.00 0.00 O ATOM 0 H GLY A 76 -12.575 -0.246 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.010 -1.963 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.381 -1.192 -10.858 1.00 0.00 H new ATOM 1205 N PRO A 77 -15.894 -0.635 -13.324 1.00 0.00 N ATOM 1206 CA PRO A 77 -16.752 -1.691 -12.796 1.00 0.00 C ATOM 1207 C PRO A 77 -16.121 -3.063 -12.995 1.00 0.00 C ATOM 1208 O PRO A 77 -15.024 -3.179 -13.542 1.00 0.00 O ATOM 1209 CB PRO A 77 -18.035 -1.534 -13.616 1.00 0.00 C ATOM 1210 CG PRO A 77 -17.570 -0.994 -14.926 1.00 0.00 C ATOM 1211 CD PRO A 77 -16.456 -0.047 -14.566 1.00 0.00 C ATOM 0 HA PRO A 77 -16.923 -1.613 -11.722 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.548 -2.488 -13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -18.736 -0.854 -13.132 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.218 -1.790 -15.582 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -18.374 -0.480 -15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.708 0.013 -15.357 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -16.826 0.965 -14.400 1.00 0.00 H new ATOM 1219 N SER A 78 -16.820 -4.101 -12.551 1.00 0.00 N ATOM 1220 CA SER A 78 -16.397 -5.475 -12.797 1.00 0.00 C ATOM 1221 C SER A 78 -16.314 -5.765 -14.289 1.00 0.00 C ATOM 1222 O SER A 78 -17.208 -5.402 -15.054 1.00 0.00 O ATOM 1223 CB SER A 78 -17.358 -6.444 -12.136 1.00 0.00 C ATOM 1224 OG SER A 78 -17.054 -7.767 -12.483 1.00 0.00 O ATOM 0 H SER A 78 -17.685 -4.017 -12.017 1.00 0.00 H new ATOM 0 HA SER A 78 -15.403 -5.604 -12.368 1.00 0.00 H new ATOM 0 HB2 SER A 78 -17.310 -6.328 -11.053 1.00 0.00 H new ATOM 0 HB3 SER A 78 -18.379 -6.211 -12.437 1.00 0.00 H new ATOM 0 HG SER A 78 -16.091 -7.918 -12.384 1.00 0.00 H new ATOM 1230 N PHE A 79 -15.234 -6.422 -14.699 1.00 0.00 N ATOM 1231 CA PHE A 79 -15.005 -6.716 -16.109 1.00 0.00 C ATOM 1232 C PHE A 79 -15.091 -8.213 -16.380 1.00 0.00 C ATOM 1233 O PHE A 79 -14.429 -8.729 -17.280 1.00 0.00 O ATOM 1234 CB PHE A 79 -13.637 -6.191 -16.550 1.00 0.00 C ATOM 1235 CG PHE A 79 -13.453 -4.717 -16.322 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -12.565 -4.256 -15.362 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -14.165 -3.790 -17.067 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -12.394 -2.900 -15.151 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -13.996 -2.435 -16.860 1.00 0.00 C ATOM 1240 CZ PHE A 79 -13.109 -1.990 -15.901 1.00 0.00 C ATOM 0 H PHE A 79 -14.503 -6.761 -14.074 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.785 -6.215 -16.683 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.859 -6.733 -16.012 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.500 -6.406 -17.610 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.001 -4.964 -14.773 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.861 -4.132 -17.819 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.701 -2.554 -14.399 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.558 -1.724 -17.448 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.975 -0.931 -15.738 1.00 0.00 H new ATOM 1250 N GLY A 80 -15.913 -8.904 -15.598 1.00 0.00 N ATOM 1251 CA GLY A 80 -16.123 -10.334 -15.783 1.00 0.00 C ATOM 1252 C GLY A 80 -15.079 -11.147 -15.026 1.00 0.00 C ATOM 1253 O GLY A 80 -14.495 -10.673 -14.052 1.00 0.00 O ATOM 0 H GLY A 80 -16.445 -8.496 -14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.120 -10.606 -15.437 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.077 -10.577 -16.845 1.00 0.00 H new ATOM 1257 N PRO A 81 -14.849 -12.375 -15.479 1.00 0.00 N ATOM 1258 CA PRO A 81 -13.912 -13.274 -14.818 1.00 0.00 C ATOM 1259 C PRO A 81 -12.473 -12.947 -15.195 1.00 0.00 C ATOM 1260 O PRO A 81 -11.904 -12.036 -14.659 1.00 0.00 O ATOM 1261 CB PRO A 81 -14.332 -14.653 -15.336 1.00 0.00 C ATOM 1262 CG PRO A 81 -14.853 -14.384 -16.706 1.00 0.00 C ATOM 1263 CD PRO A 81 -15.561 -13.063 -16.586 1.00 0.00 C ATOM 1264 OXT PRO A 81 -11.909 -13.598 -16.030 1.00 0.00 O ATOM 0 HA PRO A 81 -13.941 -13.202 -13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.489 -15.344 -15.359 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.095 -15.102 -14.700 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.045 -14.336 -17.436 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.533 -15.170 -17.034 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -15.503 -12.493 -17.513 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.619 -13.196 -16.359 1.00 0.00 H new TER 1272 PRO A 81