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 20:sc= 0.443 USER MOD Set 1.2: A 49 SER OG : rot 87: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 14 SER OG : rot -125:sc= 1.35 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.02 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.12) 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= 0.857 USER MOD Single : A 18 ASN : amide:sc= -0.602! C(o=-0.6!,f=-11!) USER MOD Single : A 20 GLN : amide:sc=-0.000755 K(o=-0.00076,f=-0.9) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.689 K(o=0.69,f=-6.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.15) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00459 X(o=-0.0046,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0.922 (180deg=0.922) USER MOD Single : A 64 TYR OH : rot -31:sc= 0.142 USER MOD Single : A 66 GLN : amide:sc= 0.445 K(o=0.44,f=-0.41) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 115:sc= 1.01 USER MOD Single : A 78 SER OG : rot 87:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.708 -15.461 -5.433 1.00 0.00 N ATOM 2 CA SER A 1 -5.684 -15.282 -6.456 1.00 0.00 C ATOM 3 C SER A 1 -5.206 -13.836 -6.513 1.00 0.00 C ATOM 4 O SER A 1 -6.012 -12.907 -6.503 1.00 0.00 O ATOM 5 CB SER A 1 -6.221 -15.699 -7.812 1.00 0.00 C ATOM 6 OG SER A 1 -5.293 -15.428 -8.825 1.00 0.00 O ATOM 0 H1 SER A 1 -7.014 -16.455 -5.418 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.319 -15.204 -4.503 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.523 -14.851 -5.647 1.00 0.00 H new ATOM 0 HA SER A 1 -4.835 -15.913 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.454 -16.764 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.152 -15.171 -8.016 1.00 0.00 H new ATOM 0 HG SER A 1 -5.661 -15.707 -9.689 1.00 0.00 H new ATOM 11 N VAL A 2 -3.892 -13.655 -6.571 1.00 0.00 N ATOM 12 CA VAL A 2 -3.304 -12.320 -6.632 1.00 0.00 C ATOM 13 C VAL A 2 -2.686 -12.055 -7.997 1.00 0.00 C ATOM 14 O VAL A 2 -1.634 -12.602 -8.331 1.00 0.00 O ATOM 15 CB VAL A 2 -2.228 -12.161 -5.543 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.616 -10.769 -5.600 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.832 -12.429 -4.173 1.00 0.00 C ATOM 0 H VAL A 2 -3.212 -14.415 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.102 -11.597 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.435 -12.887 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.857 -10.673 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.158 -10.613 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.394 -10.023 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.064 -12.314 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.639 -11.720 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.227 -13.445 -4.142 1.00 0.00 H new ATOM 27 N LYS A 3 -3.342 -11.211 -8.785 1.00 0.00 N ATOM 28 CA LYS A 3 -2.880 -10.901 -10.133 1.00 0.00 C ATOM 29 C LYS A 3 -1.655 -9.996 -10.099 1.00 0.00 C ATOM 30 O LYS A 3 -0.590 -10.357 -10.598 1.00 0.00 O ATOM 31 CB LYS A 3 -3.996 -10.244 -10.946 1.00 0.00 C ATOM 32 CG LYS A 3 -3.618 -9.917 -12.384 1.00 0.00 C ATOM 33 CD LYS A 3 -4.802 -9.349 -13.151 1.00 0.00 C ATOM 34 CE LYS A 3 -4.404 -8.936 -14.560 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.553 -8.377 -15.323 1.00 0.00 N ATOM 0 H LYS A 3 -4.198 -10.728 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.600 -11.839 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.862 -10.906 -10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.301 -9.325 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.798 -9.199 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.258 -10.818 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.597 -10.093 -13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.204 -8.488 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.607 -8.194 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.002 -9.799 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.213 -7.985 -16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.244 -9.131 -15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.006 -7.624 -14.767 1.00 0.00 H new ATOM 49 N GLU A 4 -1.813 -8.817 -9.507 1.00 0.00 N ATOM 50 CA GLU A 4 -0.728 -7.845 -9.433 1.00 0.00 C ATOM 51 C GLU A 4 -0.233 -7.680 -8.001 1.00 0.00 C ATOM 52 O GLU A 4 -1.007 -7.793 -7.051 1.00 0.00 O ATOM 53 CB GLU A 4 -1.183 -6.492 -9.984 1.00 0.00 C ATOM 54 CG GLU A 4 -1.522 -6.499 -11.468 1.00 0.00 C ATOM 55 CD GLU A 4 -1.942 -5.149 -11.978 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.064 -4.246 -11.185 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.144 -5.021 -13.163 1.00 0.00 O ATOM 0 H GLU A 4 -2.683 -8.511 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 4 0.096 -8.220 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.059 -6.162 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.397 -5.758 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.654 -6.841 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.323 -7.216 -11.649 1.00 0.00 H new ATOM 64 N THR A 5 1.060 -7.414 -7.854 1.00 0.00 N ATOM 65 CA THR A 5 1.665 -7.259 -6.537 1.00 0.00 C ATOM 66 C THR A 5 2.277 -5.874 -6.371 1.00 0.00 C ATOM 67 O THR A 5 2.976 -5.607 -5.392 1.00 0.00 O ATOM 68 CB THR A 5 2.741 -8.333 -6.292 1.00 0.00 C ATOM 69 OG1 THR A 5 3.761 -8.228 -7.294 1.00 0.00 O ATOM 70 CG2 THR A 5 2.128 -9.725 -6.342 1.00 0.00 C ATOM 0 H THR A 5 1.710 -7.301 -8.632 1.00 0.00 H new ATOM 0 HA THR A 5 0.871 -7.381 -5.801 1.00 0.00 H new ATOM 0 HB THR A 5 3.174 -8.173 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.446 -8.911 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.904 -10.471 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.360 -9.812 -5.573 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.680 -9.891 -7.322 1.00 0.00 H new ATOM 78 N LYS A 6 2.010 -4.996 -7.331 1.00 0.00 N ATOM 79 CA LYS A 6 2.631 -3.677 -7.355 1.00 0.00 C ATOM 80 C LYS A 6 2.358 -2.915 -6.064 1.00 0.00 C ATOM 81 O LYS A 6 3.279 -2.408 -5.426 1.00 0.00 O ATOM 82 CB LYS A 6 2.130 -2.873 -8.556 1.00 0.00 C ATOM 83 CG LYS A 6 2.729 -1.477 -8.673 1.00 0.00 C ATOM 84 CD LYS A 6 2.228 -0.763 -9.920 1.00 0.00 C ATOM 85 CE LYS A 6 2.802 0.642 -10.021 1.00 0.00 C ATOM 86 NZ LYS A 6 2.361 1.334 -11.263 1.00 0.00 N ATOM 0 H LYS A 6 1.368 -5.174 -8.103 1.00 0.00 H new ATOM 0 HA LYS A 6 3.708 -3.817 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.352 -3.428 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.045 -2.786 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.472 -0.893 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.816 -1.547 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.505 -1.336 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.139 -0.713 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.493 1.224 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.891 0.592 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.774 2.288 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.677 0.793 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.323 1.405 -11.271 1.00 0.00 H new ATOM 100 N LEU A 7 1.087 -2.839 -5.686 1.00 0.00 N ATOM 101 CA LEU A 7 0.681 -2.069 -4.517 1.00 0.00 C ATOM 102 C LEU A 7 1.198 -2.704 -3.232 1.00 0.00 C ATOM 103 O LEU A 7 1.494 -2.008 -2.261 1.00 0.00 O ATOM 104 CB LEU A 7 -0.849 -1.958 -4.461 1.00 0.00 C ATOM 105 CG LEU A 7 -1.502 -1.191 -5.617 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.007 -1.128 -5.398 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.902 0.204 -5.706 1.00 0.00 C ATOM 0 H LEU A 7 0.320 -3.302 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 7 1.114 -1.072 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.267 -2.964 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.126 -1.473 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.313 -1.705 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.472 -0.583 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.412 -2.139 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.217 -0.617 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.367 0.748 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.080 0.737 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.171 0.128 -5.882 1.00 0.00 H new ATOM 119 N TYR A 8 1.302 -4.028 -3.233 1.00 0.00 N ATOM 120 CA TYR A 8 1.834 -4.756 -2.087 1.00 0.00 C ATOM 121 C TYR A 8 3.326 -4.502 -1.919 1.00 0.00 C ATOM 122 O TYR A 8 3.833 -4.434 -0.799 1.00 0.00 O ATOM 123 CB TYR A 8 1.564 -6.255 -2.231 1.00 0.00 C ATOM 124 CG TYR A 8 0.098 -6.620 -2.163 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.612 -6.864 -3.330 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.539 -6.709 -0.934 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.952 -7.197 -3.268 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.878 -7.043 -0.872 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.584 -7.286 -2.033 1.00 0.00 C ATOM 130 OH TYR A 8 -3.917 -7.618 -1.971 1.00 0.00 O ATOM 0 H TYR A 8 1.024 -4.620 -4.016 1.00 0.00 H new ATOM 0 HA TYR A 8 1.325 -4.392 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.971 -6.598 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.099 -6.788 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.117 -6.794 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.012 -6.517 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.506 -7.387 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.373 -7.114 0.085 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.249 -7.808 -2.873 1.00 0.00 H new ATOM 140 N ASP A 9 4.028 -4.364 -3.040 1.00 0.00 N ATOM 141 CA ASP A 9 5.455 -4.066 -3.018 1.00 0.00 C ATOM 142 C ASP A 9 5.713 -2.646 -2.533 1.00 0.00 C ATOM 143 O ASP A 9 6.701 -2.384 -1.846 1.00 0.00 O ATOM 144 CB ASP A 9 6.063 -4.253 -4.411 1.00 0.00 C ATOM 145 CG ASP A 9 6.167 -5.717 -4.819 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.078 -6.561 -3.960 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.334 -5.975 -5.987 1.00 0.00 O ATOM 0 H ASP A 9 3.631 -4.454 -3.975 1.00 0.00 H new ATOM 0 HA ASP A 9 5.927 -4.761 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.456 -3.719 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.056 -3.803 -4.432 1.00 0.00 H new ATOM 152 N LEU A 10 4.819 -1.731 -2.890 1.00 0.00 N ATOM 153 CA LEU A 10 4.900 -0.354 -2.421 1.00 0.00 C ATOM 154 C LEU A 10 4.779 -0.282 -0.904 1.00 0.00 C ATOM 155 O LEU A 10 5.496 0.474 -0.249 1.00 0.00 O ATOM 156 CB LEU A 10 3.798 0.494 -3.068 1.00 0.00 C ATOM 157 CG LEU A 10 3.975 0.784 -4.564 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.730 1.480 -5.098 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.212 1.645 -4.772 1.00 0.00 C ATOM 0 H LEU A 10 4.027 -1.920 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 10 5.875 0.040 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.844 -0.013 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.737 1.444 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 10 4.109 -0.150 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.856 1.686 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.863 0.836 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.579 2.417 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.337 1.851 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.096 2.585 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.090 1.117 -4.399 1.00 0.00 H new ATOM 171 N LEU A 11 3.866 -1.074 -0.350 1.00 0.00 N ATOM 172 CA LEU A 11 3.670 -1.124 1.093 1.00 0.00 C ATOM 173 C LEU A 11 4.742 -1.973 1.766 1.00 0.00 C ATOM 174 O LEU A 11 5.089 -1.748 2.925 1.00 0.00 O ATOM 175 CB LEU A 11 2.282 -1.691 1.421 1.00 0.00 C ATOM 176 CG LEU A 11 1.091 -0.840 0.961 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.208 -1.530 1.352 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.185 0.545 1.585 1.00 0.00 C ATOM 0 H LEU A 11 3.250 -1.690 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 11 3.746 -0.106 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.196 -2.678 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.212 -1.829 2.500 1.00 0.00 H new ATOM 0 HG LEU A 11 1.108 -0.730 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.054 -0.925 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.257 -2.510 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.245 -1.650 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.339 1.150 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.170 0.456 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.114 1.022 1.273 1.00 0.00 H new ATOM 190 N GLY A 12 5.265 -2.948 1.030 1.00 0.00 N ATOM 191 CA GLY A 12 6.309 -3.824 1.548 1.00 0.00 C ATOM 192 C GLY A 12 5.720 -4.936 2.407 1.00 0.00 C ATOM 193 O GLY A 12 6.258 -5.268 3.462 1.00 0.00 O ATOM 0 H GLY A 12 4.982 -3.151 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.867 -4.259 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.017 -3.241 2.138 1.00 0.00 H new ATOM 197 N VAL A 13 4.612 -5.506 1.948 1.00 0.00 N ATOM 198 CA VAL A 13 3.900 -6.522 2.713 1.00 0.00 C ATOM 199 C VAL A 13 3.295 -7.579 1.797 1.00 0.00 C ATOM 200 O VAL A 13 2.748 -7.259 0.742 1.00 0.00 O ATOM 201 CB VAL A 13 2.783 -5.875 3.553 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.816 -5.116 2.657 1.00 0.00 C ATOM 203 CG2 VAL A 13 2.052 -6.942 4.353 1.00 0.00 C ATOM 0 H VAL A 13 4.187 -5.281 1.048 1.00 0.00 H new ATOM 0 HA VAL A 13 4.621 -7.004 3.373 1.00 0.00 H new ATOM 0 HB VAL A 13 3.230 -5.164 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.033 -4.665 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.354 -4.334 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.367 -5.804 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.263 -6.477 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.613 -7.670 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.755 -7.445 5.017 1.00 0.00 H new ATOM 213 N SER A 14 3.398 -8.840 2.206 1.00 0.00 N ATOM 214 CA SER A 14 2.917 -9.951 1.395 1.00 0.00 C ATOM 215 C SER A 14 1.403 -9.904 1.239 1.00 0.00 C ATOM 216 O SER A 14 0.683 -9.572 2.180 1.00 0.00 O ATOM 217 CB SER A 14 3.329 -11.269 2.019 1.00 0.00 C ATOM 218 OG SER A 14 2.776 -12.350 1.320 1.00 0.00 O ATOM 0 H SER A 14 3.811 -9.117 3.096 1.00 0.00 H new ATOM 0 HA SER A 14 3.365 -9.864 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.416 -11.350 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.005 -11.300 3.059 1.00 0.00 H new ATOM 0 HG SER A 14 2.272 -12.917 1.940 1.00 0.00 H new ATOM 224 N PRO A 15 0.926 -10.238 0.045 1.00 0.00 N ATOM 225 CA PRO A 15 -0.506 -10.253 -0.232 1.00 0.00 C ATOM 226 C PRO A 15 -1.184 -11.435 0.449 1.00 0.00 C ATOM 227 O PRO A 15 -2.411 -11.507 0.514 1.00 0.00 O ATOM 228 CB PRO A 15 -0.561 -10.373 -1.758 1.00 0.00 C ATOM 229 CG PRO A 15 0.689 -11.103 -2.113 1.00 0.00 C ATOM 230 CD PRO A 15 1.720 -10.566 -1.157 1.00 0.00 C ATOM 0 HA PRO A 15 -1.028 -9.373 0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.447 -10.919 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.598 -9.393 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.566 -12.180 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.975 -10.921 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.492 -11.304 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.223 -9.687 -1.559 1.00 0.00 H new ATOM 238 N SER A 16 -0.378 -12.362 0.957 1.00 0.00 N ATOM 239 CA SER A 16 -0.894 -13.492 1.719 1.00 0.00 C ATOM 240 C SER A 16 -1.368 -13.057 3.100 1.00 0.00 C ATOM 241 O SER A 16 -2.112 -13.775 3.767 1.00 0.00 O ATOM 242 CB SER A 16 0.172 -14.561 1.855 1.00 0.00 C ATOM 243 OG SER A 16 1.221 -14.122 2.675 1.00 0.00 O ATOM 0 H SER A 16 0.637 -12.352 0.854 1.00 0.00 H new ATOM 0 HA SER A 16 -1.748 -13.899 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.267 -15.467 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.560 -14.821 0.870 1.00 0.00 H new ATOM 0 HG SER A 16 1.896 -14.829 2.749 1.00 0.00 H new ATOM 249 N ALA A 17 -0.933 -11.874 3.522 1.00 0.00 N ATOM 250 CA ALA A 17 -1.329 -11.329 4.815 1.00 0.00 C ATOM 251 C ALA A 17 -2.699 -10.668 4.737 1.00 0.00 C ATOM 252 O ALA A 17 -3.151 -10.276 3.661 1.00 0.00 O ATOM 253 CB ALA A 17 -0.291 -10.337 5.313 1.00 0.00 C ATOM 0 H ALA A 17 -0.306 -11.274 2.986 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.393 -12.156 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.602 -9.939 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.671 -10.839 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.196 -9.520 4.598 1.00 0.00 H new ATOM 259 N ASN A 18 -3.359 -10.546 5.885 1.00 0.00 N ATOM 260 CA ASN A 18 -4.706 -9.991 5.940 1.00 0.00 C ATOM 261 C ASN A 18 -4.674 -8.468 5.925 1.00 0.00 C ATOM 262 O ASN A 18 -3.604 -7.859 5.891 1.00 0.00 O ATOM 263 CB ASN A 18 -5.443 -10.498 7.166 1.00 0.00 C ATOM 264 CG ASN A 18 -4.852 -9.984 8.449 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.156 -8.963 8.462 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.118 -10.672 9.531 1.00 0.00 N ATOM 0 H ASN A 18 -2.981 -10.825 6.791 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.243 -10.324 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.489 -10.198 7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.424 -11.588 7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.746 -10.371 10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.698 -11.509 9.473 1.00 0.00 H new ATOM 273 N GLU A 19 -5.853 -7.856 5.954 1.00 0.00 N ATOM 274 CA GLU A 19 -5.974 -6.415 5.766 1.00 0.00 C ATOM 275 C GLU A 19 -5.390 -5.655 6.949 1.00 0.00 C ATOM 276 O GLU A 19 -4.890 -4.540 6.797 1.00 0.00 O ATOM 277 CB GLU A 19 -7.440 -6.024 5.569 1.00 0.00 C ATOM 278 CG GLU A 19 -8.044 -6.490 4.251 1.00 0.00 C ATOM 279 CD GLU A 19 -9.506 -6.160 4.129 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.087 -5.750 5.105 1.00 0.00 O ATOM 281 OE2 GLU A 19 -10.041 -6.315 3.056 1.00 0.00 O ATOM 0 H GLU A 19 -6.740 -8.336 6.106 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.409 -6.147 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.027 -6.437 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.525 -4.939 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.502 -6.028 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.911 -7.568 4.157 1.00 0.00 H new ATOM 288 N GLN A 20 -5.455 -6.264 8.128 1.00 0.00 N ATOM 289 CA GLN A 20 -4.865 -5.679 9.326 1.00 0.00 C ATOM 290 C GLN A 20 -3.353 -5.552 9.188 1.00 0.00 C ATOM 291 O GLN A 20 -2.762 -4.558 9.610 1.00 0.00 O ATOM 292 CB GLN A 20 -5.208 -6.521 10.558 1.00 0.00 C ATOM 293 CG GLN A 20 -6.672 -6.470 10.956 1.00 0.00 C ATOM 294 CD GLN A 20 -6.988 -7.395 12.118 1.00 0.00 C ATOM 295 OE1 GLN A 20 -6.288 -8.385 12.350 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.046 -7.078 12.855 1.00 0.00 N ATOM 0 H GLN A 20 -5.911 -7.164 8.279 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.284 -4.680 9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.931 -7.557 10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.602 -6.180 11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.937 -5.448 11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.288 -6.743 10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.597 -6.250 12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.308 -7.662 13.649 1.00 0.00 H new ATOM 305 N GLU A 21 -2.730 -6.566 8.595 1.00 0.00 N ATOM 306 CA GLU A 21 -1.296 -6.537 8.334 1.00 0.00 C ATOM 307 C GLU A 21 -0.956 -5.541 7.233 1.00 0.00 C ATOM 308 O GLU A 21 0.088 -4.889 7.274 1.00 0.00 O ATOM 309 CB GLU A 21 -0.796 -7.930 7.949 1.00 0.00 C ATOM 310 CG GLU A 21 -0.842 -8.951 9.077 1.00 0.00 C ATOM 311 CD GLU A 21 0.074 -8.604 10.218 1.00 0.00 C ATOM 312 OE1 GLU A 21 1.186 -8.209 9.961 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.340 -8.734 11.345 1.00 0.00 O ATOM 0 H GLU A 21 -3.197 -7.419 8.286 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.797 -6.218 9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.395 -8.300 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.231 -7.848 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.864 -9.029 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.570 -9.931 8.685 1.00 0.00 H new ATOM 320 N LEU A 22 -1.841 -5.429 6.250 1.00 0.00 N ATOM 321 CA LEU A 22 -1.662 -4.476 5.162 1.00 0.00 C ATOM 322 C LEU A 22 -1.679 -3.042 5.677 1.00 0.00 C ATOM 323 O LEU A 22 -0.927 -2.192 5.201 1.00 0.00 O ATOM 324 CB LEU A 22 -2.761 -4.660 4.108 1.00 0.00 C ATOM 325 CG LEU A 22 -2.740 -5.995 3.353 1.00 0.00 C ATOM 326 CD1 LEU A 22 -3.923 -6.054 2.395 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.423 -6.136 2.606 1.00 0.00 C ATOM 0 H LEU A 22 -2.692 -5.988 6.184 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.690 -4.667 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.729 -4.555 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.682 -3.851 3.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.825 -6.823 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.909 -7.002 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.852 -5.970 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.855 -5.232 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.409 -7.085 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.318 -5.316 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.597 -6.108 3.317 1.00 0.00 H new ATOM 339 N LYS A 23 -2.544 -2.779 6.652 1.00 0.00 N ATOM 340 CA LYS A 23 -2.596 -1.473 7.298 1.00 0.00 C ATOM 341 C LYS A 23 -1.279 -1.147 7.990 1.00 0.00 C ATOM 342 O LYS A 23 -0.735 -0.056 7.828 1.00 0.00 O ATOM 343 CB LYS A 23 -3.747 -1.419 8.304 1.00 0.00 C ATOM 344 CG LYS A 23 -3.882 -0.090 9.033 1.00 0.00 C ATOM 345 CD LYS A 23 -5.088 -0.089 9.960 1.00 0.00 C ATOM 346 CE LYS A 23 -5.211 1.231 10.710 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.386 1.245 11.622 1.00 0.00 N ATOM 0 H LYS A 23 -3.219 -3.454 7.012 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.767 -0.725 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.680 -1.630 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.608 -2.211 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.977 0.105 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.978 0.717 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.994 -0.266 9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.001 -0.908 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.303 1.407 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.298 2.048 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.433 2.161 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.256 1.103 11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.291 0.481 12.322 1.00 0.00 H new ATOM 361 N LYS A 24 -0.770 -2.102 8.762 1.00 0.00 N ATOM 362 CA LYS A 24 0.501 -1.931 9.454 1.00 0.00 C ATOM 363 C LYS A 24 1.648 -1.766 8.467 1.00 0.00 C ATOM 364 O LYS A 24 2.606 -1.036 8.729 1.00 0.00 O ATOM 365 CB LYS A 24 0.771 -3.118 10.380 1.00 0.00 C ATOM 366 CG LYS A 24 -0.122 -3.171 11.613 1.00 0.00 C ATOM 367 CD LYS A 24 0.350 -4.234 12.593 1.00 0.00 C ATOM 368 CE LYS A 24 0.075 -5.634 12.067 1.00 0.00 C ATOM 369 NZ LYS A 24 0.450 -6.683 13.054 1.00 0.00 N ATOM 0 H LYS A 24 -1.220 -3.003 8.924 1.00 0.00 H new ATOM 0 HA LYS A 24 0.434 -1.023 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.643 -4.041 9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.812 -3.083 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.126 -2.198 12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.148 -3.381 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.418 -4.115 12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.153 -4.098 13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.983 -5.728 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.631 -5.790 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.263 -7.623 12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.461 -6.600 13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.112 -6.561 13.921 1.00 0.00 H new ATOM 383 N GLY A 25 1.548 -2.447 7.330 1.00 0.00 N ATOM 384 CA GLY A 25 2.506 -2.273 6.246 1.00 0.00 C ATOM 385 C GLY A 25 2.558 -0.824 5.782 1.00 0.00 C ATOM 386 O GLY A 25 3.637 -0.260 5.594 1.00 0.00 O ATOM 0 H GLY A 25 0.812 -3.125 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.496 -2.587 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.232 -2.916 5.409 1.00 0.00 H new ATOM 390 N TYR A 26 1.387 -0.223 5.602 1.00 0.00 N ATOM 391 CA TYR A 26 1.296 1.188 5.247 1.00 0.00 C ATOM 392 C TYR A 26 1.911 2.067 6.328 1.00 0.00 C ATOM 393 O TYR A 26 2.680 2.982 6.034 1.00 0.00 O ATOM 394 CB TYR A 26 -0.162 1.587 5.006 1.00 0.00 C ATOM 395 CG TYR A 26 -0.362 3.071 4.795 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.212 3.700 3.701 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.121 3.803 5.699 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.028 5.055 3.510 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.303 5.159 5.506 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.732 5.784 4.417 1.00 0.00 C ATOM 401 OH TYR A 26 -0.914 7.135 4.226 1.00 0.00 O ATOM 0 H TYR A 26 0.486 -0.692 5.696 1.00 0.00 H new ATOM 0 HA TYR A 26 1.859 1.339 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.536 1.052 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.762 1.266 5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.803 3.131 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.568 3.313 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.473 5.547 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.893 5.730 6.208 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.729 7.361 3.290 1.00 0.00 H new ATOM 411 N ARG A 27 1.568 1.786 7.581 1.00 0.00 N ATOM 412 CA ARG A 27 2.066 2.567 8.706 1.00 0.00 C ATOM 413 C ARG A 27 3.590 2.602 8.721 1.00 0.00 C ATOM 414 O ARG A 27 4.193 3.648 8.966 1.00 0.00 O ATOM 415 CB ARG A 27 1.564 1.990 10.021 1.00 0.00 C ATOM 416 CG ARG A 27 0.074 2.172 10.271 1.00 0.00 C ATOM 417 CD ARG A 27 -0.356 1.507 11.528 1.00 0.00 C ATOM 418 NE ARG A 27 0.217 2.144 12.702 1.00 0.00 N ATOM 419 CZ ARG A 27 0.208 1.613 13.941 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.348 0.441 14.150 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.758 2.274 14.945 1.00 0.00 N ATOM 0 H ARG A 27 0.946 1.021 7.842 1.00 0.00 H new ATOM 0 HA ARG A 27 1.692 3.584 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.795 0.925 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.115 2.454 10.839 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.159 3.235 10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.489 1.763 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.444 1.530 11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.060 0.458 11.503 1.00 0.00 H new ATOM 0 HE ARG A 27 0.657 3.056 12.580 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.773 -0.067 13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.355 0.040 15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.188 3.184 14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.752 1.874 15.883 1.00 0.00 H new ATOM 435 N LYS A 28 4.207 1.457 8.455 1.00 0.00 N ATOM 436 CA LYS A 28 5.660 1.366 8.392 1.00 0.00 C ATOM 437 C LYS A 28 6.211 2.150 7.210 1.00 0.00 C ATOM 438 O LYS A 28 7.179 2.899 7.344 1.00 0.00 O ATOM 439 CB LYS A 28 6.102 -0.096 8.306 1.00 0.00 C ATOM 440 CG LYS A 28 5.884 -0.897 9.582 1.00 0.00 C ATOM 441 CD LYS A 28 6.307 -2.347 9.405 1.00 0.00 C ATOM 442 CE LYS A 28 6.070 -3.153 10.674 1.00 0.00 C ATOM 443 NZ LYS A 28 6.457 -4.580 10.507 1.00 0.00 N ATOM 0 H LYS A 28 3.722 0.577 8.279 1.00 0.00 H new ATOM 0 HA LYS A 28 6.061 1.804 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.561 -0.579 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.161 -0.128 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.451 -0.448 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.832 -0.855 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.750 -2.792 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.363 -2.390 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.641 -2.716 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.017 -3.093 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.280 -5.094 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.895 -5.005 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.467 -4.640 10.268 1.00 0.00 H new ATOM 457 N ALA A 29 5.587 1.977 6.049 1.00 0.00 N ATOM 458 CA ALA A 29 6.000 2.685 4.844 1.00 0.00 C ATOM 459 C ALA A 29 5.777 4.186 4.983 1.00 0.00 C ATOM 460 O ALA A 29 6.562 4.988 4.478 1.00 0.00 O ATOM 461 CB ALA A 29 5.252 2.149 3.632 1.00 0.00 C ATOM 0 H ALA A 29 4.792 1.351 5.918 1.00 0.00 H new ATOM 0 HA ALA A 29 7.067 2.515 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.571 2.688 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.468 1.087 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.180 2.287 3.775 1.00 0.00 H new ATOM 467 N ALA A 30 4.702 4.558 5.669 1.00 0.00 N ATOM 468 CA ALA A 30 4.384 5.962 5.891 1.00 0.00 C ATOM 469 C ALA A 30 5.462 6.648 6.719 1.00 0.00 C ATOM 470 O ALA A 30 5.832 7.791 6.451 1.00 0.00 O ATOM 471 CB ALA A 30 3.029 6.097 6.572 1.00 0.00 C ATOM 0 H ALA A 30 4.036 3.905 6.081 1.00 0.00 H new ATOM 0 HA ALA A 30 4.342 6.454 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.805 7.152 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.259 5.654 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.052 5.582 7.532 1.00 0.00 H new ATOM 477 N LEU A 31 5.967 5.942 7.726 1.00 0.00 N ATOM 478 CA LEU A 31 7.096 6.425 8.511 1.00 0.00 C ATOM 479 C LEU A 31 8.361 6.504 7.666 1.00 0.00 C ATOM 480 O LEU A 31 9.136 7.454 7.778 1.00 0.00 O ATOM 481 CB LEU A 31 7.335 5.509 9.718 1.00 0.00 C ATOM 482 CG LEU A 31 6.261 5.556 10.811 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.531 4.462 11.836 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.261 6.929 11.465 1.00 0.00 C ATOM 0 H LEU A 31 5.611 5.032 8.017 1.00 0.00 H new ATOM 0 HA LEU A 31 6.854 7.428 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.419 4.483 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.294 5.771 10.165 1.00 0.00 H new ATOM 0 HG LEU A 31 5.277 5.383 10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.768 4.495 12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.507 3.489 11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.512 4.618 12.284 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.497 6.962 12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.238 7.121 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.048 7.690 10.714 1.00 0.00 H new ATOM 496 N LYS A 32 8.565 5.500 6.821 1.00 0.00 N ATOM 497 CA LYS A 32 9.731 5.458 5.947 1.00 0.00 C ATOM 498 C LYS A 32 9.798 6.695 5.060 1.00 0.00 C ATOM 499 O LYS A 32 10.860 7.298 4.899 1.00 0.00 O ATOM 500 CB LYS A 32 9.710 4.194 5.086 1.00 0.00 C ATOM 501 CG LYS A 32 10.911 4.044 4.161 1.00 0.00 C ATOM 502 CD LYS A 32 10.851 2.735 3.386 1.00 0.00 C ATOM 503 CE LYS A 32 12.046 2.587 2.457 1.00 0.00 C ATOM 504 NZ LYS A 32 12.008 1.305 1.702 1.00 0.00 N ATOM 0 H LYS A 32 7.937 4.703 6.723 1.00 0.00 H new ATOM 0 HA LYS A 32 10.620 5.441 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.660 3.324 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.801 4.194 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.943 4.881 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.830 4.081 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.824 1.898 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.929 2.696 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.065 3.421 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.966 2.638 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.840 1.243 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.015 0.508 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.142 1.266 1.127 1.00 0.00 H new ATOM 518 N TYR A 33 8.659 7.069 4.487 1.00 0.00 N ATOM 519 CA TYR A 33 8.599 8.199 3.569 1.00 0.00 C ATOM 520 C TYR A 33 7.912 9.397 4.211 1.00 0.00 C ATOM 521 O TYR A 33 7.368 10.257 3.521 1.00 0.00 O ATOM 522 CB TYR A 33 7.877 7.802 2.279 1.00 0.00 C ATOM 523 CG TYR A 33 8.537 6.664 1.534 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.883 5.446 1.408 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.795 6.836 0.976 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.487 4.405 0.728 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.397 5.796 0.296 1.00 0.00 C ATOM 528 CZ TYR A 33 9.748 4.586 0.171 1.00 0.00 C ATOM 529 OH TYR A 33 10.348 3.549 -0.506 1.00 0.00 O ATOM 0 H TYR A 33 7.764 6.605 4.643 1.00 0.00 H new ATOM 0 HA TYR A 33 9.622 8.487 3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.852 7.520 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.823 8.670 1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.903 5.312 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.304 7.784 1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.982 3.456 0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.377 5.930 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 33 11.225 3.837 -0.835 1.00 0.00 H new ATOM 539 N HIS A 34 7.941 9.446 5.539 1.00 0.00 N ATOM 540 CA HIS A 34 7.266 10.503 6.282 1.00 0.00 C ATOM 541 C HIS A 34 7.904 11.860 6.011 1.00 0.00 C ATOM 542 O HIS A 34 9.128 11.999 6.051 1.00 0.00 O ATOM 543 CB HIS A 34 7.291 10.209 7.785 1.00 0.00 C ATOM 544 CG HIS A 34 6.296 11.007 8.570 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.459 12.352 8.829 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.130 10.649 9.154 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.433 12.788 9.539 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.612 11.775 9.749 1.00 0.00 N ATOM 0 H HIS A 34 8.426 8.765 6.123 1.00 0.00 H new ATOM 0 HA HIS A 34 6.230 10.534 5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.098 9.148 7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.291 10.411 8.169 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.688 9.663 9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.290 13.800 9.888 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.735 11.821 10.269 1.00 0.00 H new ATOM 556 N PRO A 35 7.069 12.857 5.739 1.00 0.00 N ATOM 557 CA PRO A 35 7.554 14.177 5.353 1.00 0.00 C ATOM 558 C PRO A 35 8.537 14.725 6.381 1.00 0.00 C ATOM 559 O PRO A 35 9.481 15.436 6.034 1.00 0.00 O ATOM 560 CB PRO A 35 6.270 15.012 5.296 1.00 0.00 C ATOM 561 CG PRO A 35 5.220 14.040 4.880 1.00 0.00 C ATOM 562 CD PRO A 35 5.580 12.767 5.600 1.00 0.00 C ATOM 0 HA PRO A 35 8.103 14.178 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.040 15.456 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.359 15.831 4.583 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.225 14.386 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.216 13.898 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.089 12.702 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.282 11.886 5.032 1.00 0.00 H new ATOM 570 N ASP A 36 8.309 14.391 7.646 1.00 0.00 N ATOM 571 CA ASP A 36 9.051 14.997 8.743 1.00 0.00 C ATOM 572 C ASP A 36 10.271 14.162 9.113 1.00 0.00 C ATOM 573 O ASP A 36 10.900 14.387 10.146 1.00 0.00 O ATOM 574 CB ASP A 36 8.153 15.167 9.972 1.00 0.00 C ATOM 575 CG ASP A 36 7.039 16.183 9.755 1.00 0.00 C ATOM 576 OD1 ASP A 36 7.202 17.046 8.925 1.00 0.00 O ATOM 577 OD2 ASP A 36 6.035 16.086 10.420 1.00 0.00 O ATOM 0 H ASP A 36 7.615 13.703 7.937 1.00 0.00 H new ATOM 0 HA ASP A 36 9.390 15.977 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.714 14.204 10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.762 15.478 10.821 1.00 0.00 H new ATOM 582 N LYS A 37 10.601 13.197 8.260 1.00 0.00 N ATOM 583 CA LYS A 37 11.788 12.374 8.457 1.00 0.00 C ATOM 584 C LYS A 37 12.842 12.664 7.397 1.00 0.00 C ATOM 585 O LYS A 37 12.526 13.150 6.310 1.00 0.00 O ATOM 586 CB LYS A 37 11.418 10.890 8.438 1.00 0.00 C ATOM 587 CG LYS A 37 10.466 10.464 9.548 1.00 0.00 C ATOM 588 CD LYS A 37 11.122 10.587 10.916 1.00 0.00 C ATOM 589 CE LYS A 37 10.208 10.072 12.018 1.00 0.00 C ATOM 590 NZ LYS A 37 10.812 10.244 13.367 1.00 0.00 N ATOM 0 H LYS A 37 10.062 12.966 7.425 1.00 0.00 H new ATOM 0 HA LYS A 37 12.208 12.623 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.964 10.654 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.331 10.300 8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.568 11.081 9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.151 9.433 9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.057 10.026 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.374 11.630 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.256 10.601 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.994 9.017 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.158 9.881 14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.708 9.718 13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.993 11.253 13.540 1.00 0.00 H new ATOM 604 N PRO A 38 14.096 12.364 7.718 1.00 0.00 N ATOM 605 CA PRO A 38 15.201 12.605 6.800 1.00 0.00 C ATOM 606 C PRO A 38 14.968 11.914 5.462 1.00 0.00 C ATOM 607 O PRO A 38 15.399 12.401 4.417 1.00 0.00 O ATOM 608 CB PRO A 38 16.403 12.011 7.541 1.00 0.00 C ATOM 609 CG PRO A 38 16.041 12.138 8.982 1.00 0.00 C ATOM 610 CD PRO A 38 14.564 11.850 9.024 1.00 0.00 C ATOM 0 HA PRO A 38 15.334 13.658 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.569 10.970 7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.320 12.553 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.601 11.433 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.262 13.136 9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.362 10.785 9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.076 12.356 9.857 1.00 0.00 H new ATOM 618 N THR A 39 14.283 10.776 5.502 1.00 0.00 N ATOM 619 CA THR A 39 14.055 9.978 4.304 1.00 0.00 C ATOM 620 C THR A 39 12.664 10.228 3.733 1.00 0.00 C ATOM 621 O THR A 39 12.142 9.418 2.966 1.00 0.00 O ATOM 622 CB THR A 39 14.230 8.476 4.596 1.00 0.00 C ATOM 623 OG1 THR A 39 13.315 8.076 5.624 1.00 0.00 O ATOM 624 CG2 THR A 39 15.653 8.184 5.046 1.00 0.00 C ATOM 0 H THR A 39 13.876 10.386 6.352 1.00 0.00 H new ATOM 0 HA THR A 39 14.798 10.283 3.567 1.00 0.00 H new ATOM 0 HB THR A 39 14.026 7.917 3.683 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.405 8.051 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.759 7.118 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.350 8.476 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.871 8.749 5.952 1.00 0.00 H new ATOM 632 N GLY A 40 12.069 11.355 4.111 1.00 0.00 N ATOM 633 CA GLY A 40 10.730 11.705 3.651 1.00 0.00 C ATOM 634 C GLY A 40 10.689 11.849 2.135 1.00 0.00 C ATOM 635 O GLY A 40 11.635 12.343 1.523 1.00 0.00 O ATOM 0 H GLY A 40 12.493 12.042 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.022 10.938 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.415 12.639 4.116 1.00 0.00 H new ATOM 639 N ASP A 41 9.587 11.413 1.534 1.00 0.00 N ATOM 640 CA ASP A 41 9.425 11.480 0.086 1.00 0.00 C ATOM 641 C ASP A 41 7.954 11.547 -0.301 1.00 0.00 C ATOM 642 O ASP A 41 7.244 10.544 -0.257 1.00 0.00 O ATOM 643 CB ASP A 41 10.081 10.270 -0.584 1.00 0.00 C ATOM 644 CG ASP A 41 10.036 10.337 -2.103 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.089 10.874 -2.627 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.949 9.853 -2.726 1.00 0.00 O ATOM 0 H ASP A 41 8.791 11.009 2.028 1.00 0.00 H new ATOM 0 HA ASP A 41 9.915 12.390 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.119 10.200 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.581 9.361 -0.251 1.00 0.00 H new ATOM 651 N THR A 42 7.502 12.738 -0.682 1.00 0.00 N ATOM 652 CA THR A 42 6.086 12.973 -0.937 1.00 0.00 C ATOM 653 C THR A 42 5.570 12.073 -2.054 1.00 0.00 C ATOM 654 O THR A 42 4.483 11.505 -1.954 1.00 0.00 O ATOM 655 CB THR A 42 5.826 14.448 -1.300 1.00 0.00 C ATOM 656 OG1 THR A 42 6.200 15.286 -0.200 1.00 0.00 O ATOM 657 CG2 THR A 42 4.356 14.666 -1.623 1.00 0.00 C ATOM 0 H THR A 42 8.097 13.555 -0.821 1.00 0.00 H new ATOM 0 HA THR A 42 5.549 12.735 -0.019 1.00 0.00 H new ATOM 0 HB THR A 42 6.421 14.702 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.036 16.224 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.191 15.713 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.072 14.038 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.750 14.403 -0.756 1.00 0.00 H new ATOM 665 N GLU A 43 6.359 11.947 -3.116 1.00 0.00 N ATOM 666 CA GLU A 43 5.973 11.132 -4.263 1.00 0.00 C ATOM 667 C GLU A 43 5.710 9.690 -3.849 1.00 0.00 C ATOM 668 O GLU A 43 4.666 9.123 -4.171 1.00 0.00 O ATOM 669 CB GLU A 43 7.063 11.173 -5.335 1.00 0.00 C ATOM 670 CG GLU A 43 6.748 10.361 -6.583 1.00 0.00 C ATOM 671 CD GLU A 43 7.812 10.474 -7.640 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.741 11.219 -7.442 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.693 9.817 -8.647 1.00 0.00 O ATOM 0 H GLU A 43 7.269 12.398 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 43 5.051 11.546 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.232 12.210 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.994 10.806 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.627 9.313 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.796 10.694 -6.996 1.00 0.00 H new ATOM 680 N LYS A 44 6.662 9.101 -3.132 1.00 0.00 N ATOM 681 CA LYS A 44 6.540 7.719 -2.685 1.00 0.00 C ATOM 682 C LYS A 44 5.469 7.581 -1.610 1.00 0.00 C ATOM 683 O LYS A 44 4.805 6.549 -1.513 1.00 0.00 O ATOM 684 CB LYS A 44 7.882 7.205 -2.160 1.00 0.00 C ATOM 685 CG LYS A 44 8.989 7.158 -3.203 1.00 0.00 C ATOM 686 CD LYS A 44 8.601 6.277 -4.382 1.00 0.00 C ATOM 687 CE LYS A 44 8.631 4.802 -4.005 1.00 0.00 C ATOM 688 NZ LYS A 44 8.345 3.924 -5.172 1.00 0.00 N ATOM 0 H LYS A 44 7.527 9.561 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 44 6.242 7.116 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.203 7.841 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.740 6.204 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.203 8.167 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.904 6.779 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.602 6.546 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.284 6.456 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.609 4.552 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.898 4.613 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.341 2.930 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.415 4.167 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.078 4.060 -5.897 1.00 0.00 H new ATOM 702 N PHE A 45 5.309 8.625 -0.805 1.00 0.00 N ATOM 703 CA PHE A 45 4.273 8.648 0.221 1.00 0.00 C ATOM 704 C PHE A 45 2.882 8.572 -0.396 1.00 0.00 C ATOM 705 O PHE A 45 1.999 7.889 0.123 1.00 0.00 O ATOM 706 CB PHE A 45 4.391 9.915 1.071 1.00 0.00 C ATOM 707 CG PHE A 45 3.543 9.894 2.311 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.274 10.453 2.310 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.012 9.316 3.481 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.493 10.436 3.450 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.233 9.296 4.620 1.00 0.00 C ATOM 712 CZ PHE A 45 1.971 9.857 4.604 1.00 0.00 C ATOM 0 H PHE A 45 5.884 9.467 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 45 4.417 7.773 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.434 10.053 1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.110 10.776 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.892 10.907 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.998 8.876 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.507 10.877 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.610 8.842 5.524 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.361 9.842 5.495 1.00 0.00 H new ATOM 722 N LYS A 46 2.694 9.277 -1.506 1.00 0.00 N ATOM 723 CA LYS A 46 1.430 9.242 -2.231 1.00 0.00 C ATOM 724 C LYS A 46 1.179 7.865 -2.834 1.00 0.00 C ATOM 725 O LYS A 46 0.049 7.377 -2.840 1.00 0.00 O ATOM 726 CB LYS A 46 1.411 10.307 -3.329 1.00 0.00 C ATOM 727 CG LYS A 46 1.275 11.735 -2.817 1.00 0.00 C ATOM 728 CD LYS A 46 1.268 12.735 -3.964 1.00 0.00 C ATOM 729 CE LYS A 46 1.027 14.151 -3.464 1.00 0.00 C ATOM 730 NZ LYS A 46 1.048 15.144 -4.572 1.00 0.00 N ATOM 0 H LYS A 46 3.402 9.881 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 46 0.632 9.454 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.329 10.228 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.585 10.097 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.354 11.831 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.099 11.961 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.220 12.691 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.493 12.464 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.065 14.197 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.789 14.411 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.880 16.096 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.975 15.119 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.304 14.912 -5.260 1.00 0.00 H new ATOM 744 N GLU A 47 2.239 7.244 -3.339 1.00 0.00 N ATOM 745 CA GLU A 47 2.132 5.929 -3.960 1.00 0.00 C ATOM 746 C GLU A 47 1.635 4.888 -2.965 1.00 0.00 C ATOM 747 O GLU A 47 0.746 4.095 -3.273 1.00 0.00 O ATOM 748 CB GLU A 47 3.484 5.497 -4.531 1.00 0.00 C ATOM 749 CG GLU A 47 3.912 6.258 -5.779 1.00 0.00 C ATOM 750 CD GLU A 47 5.236 5.798 -6.319 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.828 4.928 -5.727 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.657 6.316 -7.327 1.00 0.00 O ATOM 0 H GLU A 47 3.183 7.630 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 47 1.407 6.002 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.247 5.625 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.443 4.433 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.150 6.140 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.969 7.322 -5.548 1.00 0.00 H new ATOM 759 N ILE A 48 2.214 4.897 -1.768 1.00 0.00 N ATOM 760 CA ILE A 48 1.850 3.937 -0.735 1.00 0.00 C ATOM 761 C ILE A 48 0.497 4.273 -0.121 1.00 0.00 C ATOM 762 O ILE A 48 -0.193 3.398 0.403 1.00 0.00 O ATOM 763 CB ILE A 48 2.918 3.891 0.373 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.013 5.245 1.080 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.268 3.494 -0.206 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.866 5.225 2.328 1.00 0.00 C ATOM 0 H ILE A 48 2.938 5.560 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 48 1.786 2.959 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 48 2.624 3.140 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.420 5.979 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.009 5.578 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.012 3.466 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.191 2.508 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.570 4.223 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.885 6.220 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.448 4.516 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.881 4.924 2.070 1.00 0.00 H new ATOM 778 N SER A 49 0.121 5.547 -0.190 1.00 0.00 N ATOM 779 CA SER A 49 -1.186 5.986 0.281 1.00 0.00 C ATOM 780 C SER A 49 -2.298 5.488 -0.634 1.00 0.00 C ATOM 781 O SER A 49 -3.364 5.084 -0.169 1.00 0.00 O ATOM 782 CB SER A 49 -1.228 7.499 0.366 1.00 0.00 C ATOM 783 OG SER A 49 -0.379 7.968 1.377 1.00 0.00 O ATOM 0 H SER A 49 0.705 6.293 -0.568 1.00 0.00 H new ATOM 0 HA SER A 49 -1.346 5.563 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.932 7.929 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.249 7.828 0.561 1.00 0.00 H new ATOM 0 HG SER A 49 0.526 8.080 1.018 1.00 0.00 H new ATOM 789 N GLU A 50 -2.042 5.521 -1.938 1.00 0.00 N ATOM 790 CA GLU A 50 -2.935 4.898 -2.909 1.00 0.00 C ATOM 791 C GLU A 50 -3.023 3.393 -2.690 1.00 0.00 C ATOM 792 O GLU A 50 -4.114 2.824 -2.657 1.00 0.00 O ATOM 793 CB GLU A 50 -2.458 5.189 -4.333 1.00 0.00 C ATOM 794 CG GLU A 50 -3.335 4.589 -5.424 1.00 0.00 C ATOM 795 CD GLU A 50 -2.848 4.911 -6.809 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.734 5.358 -6.938 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.591 4.709 -7.740 1.00 0.00 O ATOM 0 H GLU A 50 -1.224 5.972 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.929 5.323 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.411 6.269 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.443 4.808 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.371 3.507 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.354 4.958 -5.308 1.00 0.00 H new ATOM 804 N ALA A 51 -1.867 2.753 -2.540 1.00 0.00 N ATOM 805 CA ALA A 51 -1.815 1.322 -2.267 1.00 0.00 C ATOM 806 C ALA A 51 -2.645 0.963 -1.043 1.00 0.00 C ATOM 807 O ALA A 51 -3.410 -0.003 -1.061 1.00 0.00 O ATOM 808 CB ALA A 51 -0.373 0.872 -2.078 1.00 0.00 C ATOM 0 H ALA A 51 -0.954 3.204 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.239 0.801 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.350 -0.199 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.195 1.082 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.069 1.410 -1.240 1.00 0.00 H new ATOM 814 N PHE A 52 -2.494 1.745 0.019 1.00 0.00 N ATOM 815 CA PHE A 52 -3.264 1.539 1.240 1.00 0.00 C ATOM 816 C PHE A 52 -4.760 1.656 0.973 1.00 0.00 C ATOM 817 O PHE A 52 -5.528 0.746 1.283 1.00 0.00 O ATOM 818 CB PHE A 52 -2.852 2.551 2.309 1.00 0.00 C ATOM 819 CG PHE A 52 -3.713 2.518 3.540 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.694 1.420 4.387 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.544 3.583 3.852 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.487 1.388 5.519 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.336 3.554 4.984 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.307 2.454 5.819 1.00 0.00 C ATOM 0 H PHE A 52 -1.844 2.530 0.059 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.053 0.531 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.817 2.362 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.886 3.552 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.053 0.581 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.573 4.445 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.464 0.526 6.169 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.978 4.391 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.925 2.430 6.704 1.00 0.00 H new ATOM 834 N GLU A 53 -5.167 2.782 0.397 1.00 0.00 N ATOM 835 CA GLU A 53 -6.578 3.044 0.141 1.00 0.00 C ATOM 836 C GLU A 53 -7.226 1.889 -0.612 1.00 0.00 C ATOM 837 O GLU A 53 -8.298 1.414 -0.235 1.00 0.00 O ATOM 838 CB GLU A 53 -6.744 4.340 -0.656 1.00 0.00 C ATOM 839 CG GLU A 53 -8.156 4.587 -1.169 1.00 0.00 C ATOM 840 CD GLU A 53 -9.148 4.812 -0.063 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.740 5.191 1.009 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.317 4.604 -0.289 1.00 0.00 O ATOM 0 H GLU A 53 -4.539 3.528 0.098 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.076 3.149 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.447 5.179 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.060 4.320 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.151 5.455 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.474 3.734 -1.768 1.00 0.00 H new ATOM 849 N ILE A 54 -6.570 1.439 -1.675 1.00 0.00 N ATOM 850 CA ILE A 54 -7.100 0.363 -2.504 1.00 0.00 C ATOM 851 C ILE A 54 -7.128 -0.956 -1.741 1.00 0.00 C ATOM 852 O ILE A 54 -8.107 -1.699 -1.806 1.00 0.00 O ATOM 853 CB ILE A 54 -6.264 0.196 -3.787 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.446 1.410 -4.703 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.652 -1.084 -4.511 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.461 1.462 -5.849 1.00 0.00 C ATOM 0 H ILE A 54 -5.669 1.803 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.120 0.634 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.212 0.128 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.459 1.401 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.348 2.319 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.052 -1.187 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.475 -1.939 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.708 -1.045 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.652 2.349 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.446 1.504 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.574 0.571 -6.467 1.00 0.00 H new ATOM 868 N LEU A 55 -6.048 -1.240 -1.021 1.00 0.00 N ATOM 869 CA LEU A 55 -5.893 -2.524 -0.349 1.00 0.00 C ATOM 870 C LEU A 55 -6.535 -2.504 1.033 1.00 0.00 C ATOM 871 O LEU A 55 -6.618 -3.533 1.705 1.00 0.00 O ATOM 872 CB LEU A 55 -4.406 -2.881 -0.224 1.00 0.00 C ATOM 873 CG LEU A 55 -3.650 -3.054 -1.547 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.185 -3.348 -1.261 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.287 -4.176 -2.353 1.00 0.00 C ATOM 0 H LEU A 55 -5.267 -0.598 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.397 -3.280 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.912 -2.102 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.320 -3.806 0.346 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.708 -2.136 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.648 -3.471 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.750 -2.520 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.105 -4.264 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.750 -4.299 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.240 -5.105 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.328 -3.930 -2.560 1.00 0.00 H new ATOM 887 N ASN A 56 -6.987 -1.327 1.453 1.00 0.00 N ATOM 888 CA ASN A 56 -7.740 -1.195 2.693 1.00 0.00 C ATOM 889 C ASN A 56 -9.206 -1.553 2.490 1.00 0.00 C ATOM 890 O ASN A 56 -9.735 -2.442 3.159 1.00 0.00 O ATOM 891 CB ASN A 56 -7.607 0.212 3.251 1.00 0.00 C ATOM 892 CG ASN A 56 -8.287 0.372 4.582 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.992 -0.357 5.536 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.193 1.314 4.665 1.00 0.00 N ATOM 0 H ASN A 56 -6.844 -0.450 0.951 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.321 -1.897 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.551 0.460 3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.033 0.922 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.688 1.470 5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.404 1.892 3.851 1.00 0.00 H new ATOM 901 N ASP A 57 -9.857 -0.859 1.564 1.00 0.00 N ATOM 902 CA ASP A 57 -11.232 -1.175 1.196 1.00 0.00 C ATOM 903 C ASP A 57 -11.332 -2.562 0.576 1.00 0.00 C ATOM 904 O ASP A 57 -10.761 -2.824 -0.483 1.00 0.00 O ATOM 905 CB ASP A 57 -11.778 -0.132 0.216 1.00 0.00 C ATOM 906 CG ASP A 57 -13.246 -0.349 -0.123 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.741 -1.423 0.128 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.859 0.559 -0.631 1.00 0.00 O ATOM 0 H ASP A 57 -9.454 -0.073 1.054 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.830 -1.160 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.652 0.862 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.190 -0.160 -0.702 1.00 0.00 H new ATOM 913 N PRO A 58 -12.061 -3.451 1.243 1.00 0.00 N ATOM 914 CA PRO A 58 -12.194 -4.830 0.788 1.00 0.00 C ATOM 915 C PRO A 58 -12.624 -4.888 -0.673 1.00 0.00 C ATOM 916 O PRO A 58 -12.181 -5.756 -1.426 1.00 0.00 O ATOM 917 CB PRO A 58 -13.273 -5.397 1.716 1.00 0.00 C ATOM 918 CG PRO A 58 -13.085 -4.651 2.993 1.00 0.00 C ATOM 919 CD PRO A 58 -12.745 -3.249 2.562 1.00 0.00 C ATOM 0 HA PRO A 58 -11.260 -5.391 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.272 -5.242 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.151 -6.470 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.989 -4.671 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.287 -5.087 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.637 -2.631 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.093 -2.754 3.282 1.00 0.00 H new ATOM 927 N GLN A 59 -13.486 -3.959 -1.068 1.00 0.00 N ATOM 928 CA GLN A 59 -14.006 -3.926 -2.430 1.00 0.00 C ATOM 929 C GLN A 59 -12.914 -3.563 -3.428 1.00 0.00 C ATOM 930 O GLN A 59 -12.759 -4.219 -4.458 1.00 0.00 O ATOM 931 CB GLN A 59 -15.165 -2.931 -2.537 1.00 0.00 C ATOM 932 CG GLN A 59 -15.819 -2.883 -3.907 1.00 0.00 C ATOM 933 CD GLN A 59 -16.495 -4.191 -4.272 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.273 -4.743 -3.489 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.203 -4.695 -5.465 1.00 0.00 N ATOM 0 H GLN A 59 -13.840 -3.217 -0.464 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.371 -4.924 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.920 -3.189 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.799 -1.935 -2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.555 -2.079 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.066 -2.645 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.554 -4.205 -6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.628 -5.572 -5.766 1.00 0.00 H new ATOM 944 N LYS A 60 -12.160 -2.516 -3.116 1.00 0.00 N ATOM 945 CA LYS A 60 -11.082 -2.062 -3.987 1.00 0.00 C ATOM 946 C LYS A 60 -9.943 -3.072 -4.027 1.00 0.00 C ATOM 947 O LYS A 60 -9.327 -3.287 -5.072 1.00 0.00 O ATOM 948 CB LYS A 60 -10.560 -0.700 -3.527 1.00 0.00 C ATOM 949 CG LYS A 60 -11.545 0.447 -3.713 1.00 0.00 C ATOM 950 CD LYS A 60 -10.958 1.764 -3.230 1.00 0.00 C ATOM 951 CE LYS A 60 -11.966 2.898 -3.346 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.391 4.201 -2.917 1.00 0.00 N ATOM 0 H LYS A 60 -12.275 -1.965 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.487 -1.965 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.291 -0.765 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.646 -0.471 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.814 0.531 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.463 0.233 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.640 1.663 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.070 2.004 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.308 2.975 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.840 2.669 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.116 4.943 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.072 4.132 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.582 4.441 -3.526 1.00 0.00 H new ATOM 966 N ARG A 61 -9.666 -3.691 -2.885 1.00 0.00 N ATOM 967 CA ARG A 61 -8.629 -4.711 -2.798 1.00 0.00 C ATOM 968 C ARG A 61 -8.929 -5.882 -3.725 1.00 0.00 C ATOM 969 O ARG A 61 -8.054 -6.350 -4.454 1.00 0.00 O ATOM 970 CB ARG A 61 -8.496 -5.218 -1.370 1.00 0.00 C ATOM 971 CG ARG A 61 -7.438 -6.292 -1.168 1.00 0.00 C ATOM 972 CD ARG A 61 -7.462 -6.835 0.214 1.00 0.00 C ATOM 973 NE ARG A 61 -8.787 -7.302 0.591 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.404 -8.371 0.051 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.804 -9.071 -0.886 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.611 -8.716 0.463 1.00 0.00 N ATOM 0 H ARG A 61 -10.147 -3.503 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.690 -4.251 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.265 -4.374 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.460 -5.613 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.601 -7.101 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.453 -5.876 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.751 -7.658 0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.137 -6.064 0.913 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.284 -6.784 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.872 -8.805 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.270 -9.881 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.076 -8.173 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.078 -9.525 0.054 1.00 0.00 H new ATOM 990 N GLU A 62 -10.171 -6.355 -3.689 1.00 0.00 N ATOM 991 CA GLU A 62 -10.593 -7.462 -4.538 1.00 0.00 C ATOM 992 C GLU A 62 -10.508 -7.092 -6.013 1.00 0.00 C ATOM 993 O GLU A 62 -10.097 -7.900 -6.844 1.00 0.00 O ATOM 994 CB GLU A 62 -12.022 -7.886 -4.189 1.00 0.00 C ATOM 995 CG GLU A 62 -12.149 -8.654 -2.882 1.00 0.00 C ATOM 996 CD GLU A 62 -11.507 -10.014 -2.937 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.500 -10.603 -3.989 1.00 0.00 O ATOM 998 OE2 GLU A 62 -11.026 -10.462 -1.923 1.00 0.00 O ATOM 0 H GLU A 62 -10.903 -5.988 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.916 -8.297 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.649 -6.996 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.413 -8.503 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.692 -8.074 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.204 -8.766 -2.633 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.902 -5.863 -6.332 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.810 -5.360 -7.697 1.00 0.00 C ATOM 1007 C ILE A 63 -9.368 -5.363 -8.190 1.00 0.00 C ATOM 1008 O ILE A 63 -9.090 -5.765 -9.320 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.383 -3.934 -7.797 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.899 -3.952 -7.586 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.036 -3.315 -9.141 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.500 -2.584 -7.364 1.00 0.00 C ATOM 0 H ILE A 63 -11.288 -5.197 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.398 -6.026 -8.328 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.934 -3.324 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.372 -4.410 -8.455 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.130 -4.583 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.449 -2.308 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.953 -3.270 -9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.458 -3.923 -9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.577 -2.678 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.056 -2.131 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.302 -1.954 -8.231 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.454 -4.916 -7.335 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.032 -4.939 -7.653 1.00 0.00 C ATOM 1026 C TYR A 64 -6.534 -6.365 -7.846 1.00 0.00 C ATOM 1027 O TYR A 64 -5.889 -6.678 -8.848 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.228 -4.240 -6.554 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.731 -4.288 -6.770 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.147 -3.512 -7.761 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.942 -5.108 -5.977 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.781 -3.556 -7.957 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.575 -5.152 -6.173 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.995 -4.380 -7.159 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.634 -4.425 -7.355 1.00 0.00 O ATOM 0 H TYR A 64 -8.674 -4.533 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.889 -4.402 -8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.544 -3.199 -6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.463 -4.702 -5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.761 -2.874 -8.379 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.396 -5.712 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.324 -2.952 -8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.961 -5.790 -5.555 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.434 -4.266 -8.301 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.833 -7.227 -6.880 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.347 -8.601 -6.902 1.00 0.00 C ATOM 1047 C ASP A 65 -6.858 -9.348 -8.127 1.00 0.00 C ATOM 1048 O ASP A 65 -6.144 -10.160 -8.714 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.774 -9.342 -5.631 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.039 -8.856 -4.388 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.033 -8.205 -4.535 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.492 -9.143 -3.306 1.00 0.00 O ATOM 0 H ASP A 65 -7.410 -6.998 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.259 -8.565 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.847 -9.216 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.593 -10.409 -5.760 1.00 0.00 H new ATOM 1057 N GLN A 66 -8.100 -9.067 -8.510 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.756 -9.804 -9.582 1.00 0.00 C ATOM 1059 C GLN A 66 -8.418 -9.213 -10.945 1.00 0.00 C ATOM 1060 O GLN A 66 -8.212 -9.941 -11.915 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.274 -9.810 -9.378 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.737 -10.623 -8.181 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.239 -10.559 -7.985 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -13.005 -10.513 -8.954 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.673 -10.555 -6.730 1.00 0.00 N ATOM 0 H GLN A 66 -8.672 -8.333 -8.092 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.388 -10.830 -9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.618 -8.782 -9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.749 -10.204 -10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.434 -11.662 -8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.240 -10.257 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.006 -10.594 -5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.674 -10.513 -6.537 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.360 -7.887 -11.011 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.324 -7.184 -12.288 1.00 0.00 C ATOM 1076 C TYR A 67 -7.036 -6.385 -12.440 1.00 0.00 C ATOM 1077 O TYR A 67 -6.395 -6.416 -13.490 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.539 -6.265 -12.427 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.865 -6.985 -12.318 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.242 -7.899 -13.289 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.705 -6.732 -11.241 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.452 -8.557 -13.189 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.915 -7.390 -11.141 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.289 -8.299 -12.109 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.495 -8.954 -12.009 1.00 0.00 O ATOM 0 H TYR A 67 -8.337 -7.277 -10.194 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.355 -7.930 -13.082 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.490 -5.495 -11.657 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.490 -5.757 -13.390 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.588 -8.097 -14.126 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.412 -6.021 -10.482 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.747 -9.269 -13.946 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.569 -7.193 -10.304 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.959 -8.662 -11.197 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.664 -5.668 -11.385 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.387 -4.962 -11.350 1.00 0.00 C ATOM 1097 C GLY A 68 -5.578 -3.492 -11.009 1.00 0.00 C ATOM 1098 O GLY A 68 -6.693 -3.048 -10.729 1.00 0.00 O ATOM 0 H GLY A 68 -7.228 -5.560 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.732 -5.427 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.893 -5.052 -12.317 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.486 -2.736 -11.034 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.506 -1.344 -10.599 1.00 0.00 C ATOM 1104 C LEU A 69 -5.434 -0.509 -11.472 1.00 0.00 C ATOM 1105 O LEU A 69 -6.217 0.298 -10.968 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.091 -0.756 -10.639 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.970 0.714 -10.215 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.476 0.876 -8.790 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.519 1.158 -10.335 1.00 0.00 C ATOM 0 H LEU A 69 -3.574 -3.064 -11.352 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.880 -1.318 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.450 -1.356 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.704 -0.856 -11.653 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.577 1.341 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.390 1.920 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.520 0.569 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.881 0.255 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.432 2.202 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.895 0.541 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.190 1.050 -11.368 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.343 -0.707 -12.782 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.176 0.028 -13.727 1.00 0.00 C ATOM 1123 C GLU A 70 -7.642 -0.015 -13.321 1.00 0.00 C ATOM 1124 O GLU A 70 -8.309 1.017 -13.252 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.011 -0.541 -15.139 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.819 0.181 -16.207 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.621 -0.397 -17.580 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.866 -1.330 -17.708 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.227 0.095 -18.503 1.00 0.00 O ATOM 0 H GLU A 70 -4.700 -1.371 -13.214 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.849 1.068 -13.718 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.956 -0.503 -15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.301 -1.592 -15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.877 0.135 -15.948 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.539 1.234 -16.218 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.140 -1.218 -13.050 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.518 -1.395 -12.607 1.00 0.00 C ATOM 1138 C ALA A 71 -9.740 -0.772 -11.234 1.00 0.00 C ATOM 1139 O ALA A 71 -10.774 -0.152 -10.984 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.882 -2.871 -12.582 1.00 0.00 C ATOM 0 H ALA A 71 -7.609 -2.085 -13.130 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.167 -0.884 -13.318 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.914 -2.986 -12.249 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.775 -3.289 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.219 -3.398 -11.896 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.763 -0.940 -10.350 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.859 -0.412 -8.994 1.00 0.00 C ATOM 1148 C ALA A 72 -9.015 1.103 -9.004 1.00 0.00 C ATOM 1149 O ALA A 72 -9.746 1.667 -8.188 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.636 -0.812 -8.182 1.00 0.00 C ATOM 0 H ALA A 72 -7.895 -1.438 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.747 -0.840 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.722 -0.410 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.570 -1.899 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.739 -0.413 -8.655 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.325 1.759 -9.931 1.00 0.00 N ATOM 1157 CA ARG A 73 -8.408 3.209 -10.066 1.00 0.00 C ATOM 1158 C ARG A 73 -9.734 3.629 -10.685 1.00 0.00 C ATOM 1159 O ARG A 73 -10.292 4.670 -10.334 1.00 0.00 O ATOM 1160 CB ARG A 73 -7.263 3.732 -10.920 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.904 3.731 -10.240 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.834 4.216 -11.149 1.00 0.00 C ATOM 1163 NE ARG A 73 -3.614 4.536 -10.428 1.00 0.00 N ATOM 1164 CZ ARG A 73 -2.441 4.858 -11.011 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -2.349 4.897 -12.321 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -1.386 5.134 -10.265 1.00 0.00 N ATOM 0 H ARG A 73 -7.701 1.309 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.338 3.637 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.200 3.129 -11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.497 4.750 -11.231 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.941 4.362 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.666 2.722 -9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.623 3.455 -11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.183 5.100 -11.682 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.647 4.516 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.164 4.684 -12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.463 5.140 -12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.458 5.104 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.499 5.377 -10.706 1.00 0.00 H new ATOM 1180 N SER A 74 -10.236 2.815 -11.608 1.00 0.00 N ATOM 1181 CA SER A 74 -11.505 3.097 -12.270 1.00 0.00 C ATOM 1182 C SER A 74 -12.685 2.699 -11.392 1.00 0.00 C ATOM 1183 O SER A 74 -13.802 3.177 -11.583 1.00 0.00 O ATOM 1184 CB SER A 74 -11.577 2.362 -13.593 1.00 0.00 C ATOM 1185 OG SER A 74 -11.661 0.977 -13.395 1.00 0.00 O ATOM 0 H SER A 74 -9.783 1.954 -11.915 1.00 0.00 H new ATOM 0 HA SER A 74 -11.560 4.171 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.444 2.705 -14.157 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.696 2.595 -14.191 1.00 0.00 H new ATOM 0 HG SER A 74 -12.529 0.653 -13.713 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.429 1.820 -10.429 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.480 1.307 -9.562 1.00 0.00 C ATOM 1193 C GLY A 75 -14.129 0.063 -10.157 1.00 0.00 C ATOM 1194 O GLY A 75 -15.231 -0.322 -9.767 1.00 0.00 O ATOM 0 H GLY A 75 -11.500 1.448 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.064 1.070 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.236 2.077 -9.409 1.00 0.00 H new ATOM 1198 N GLY A 76 -13.437 -0.561 -11.105 1.00 0.00 N ATOM 1199 CA GLY A 76 -13.959 -1.743 -11.780 1.00 0.00 C ATOM 1200 C GLY A 76 -13.746 -1.656 -13.287 1.00 0.00 C ATOM 1201 O GLY A 76 -13.692 -0.565 -13.853 1.00 0.00 O ATOM 0 H GLY A 76 -12.513 -0.267 -11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.466 -2.634 -11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.023 -1.847 -11.566 1.00 0.00 H new ATOM 1205 N PRO A 77 -13.624 -2.812 -13.930 1.00 0.00 N ATOM 1206 CA PRO A 77 -13.468 -2.871 -15.378 1.00 0.00 C ATOM 1207 C PRO A 77 -14.636 -2.194 -16.086 1.00 0.00 C ATOM 1208 O PRO A 77 -15.766 -2.218 -15.600 1.00 0.00 O ATOM 1209 CB PRO A 77 -13.433 -4.377 -15.661 1.00 0.00 C ATOM 1210 CG PRO A 77 -12.954 -4.977 -14.384 1.00 0.00 C ATOM 1211 CD PRO A 77 -13.597 -4.138 -13.311 1.00 0.00 C ATOM 0 HA PRO A 77 -12.580 -2.351 -15.738 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -14.419 -4.754 -15.933 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.762 -4.612 -16.488 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -13.250 -6.023 -14.301 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.867 -4.947 -14.314 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.598 -4.492 -13.063 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.018 -4.145 -12.387 1.00 0.00 H new ATOM 1219 N SER A 78 -14.355 -1.589 -17.235 1.00 0.00 N ATOM 1220 CA SER A 78 -15.375 -0.880 -17.998 1.00 0.00 C ATOM 1221 C SER A 78 -16.468 -1.829 -18.470 1.00 0.00 C ATOM 1222 O SER A 78 -17.609 -1.420 -18.682 1.00 0.00 O ATOM 1223 CB SER A 78 -14.745 -0.184 -19.190 1.00 0.00 C ATOM 1224 OG SER A 78 -14.242 -1.116 -20.106 1.00 0.00 O ATOM 0 H SER A 78 -13.427 -1.576 -17.659 1.00 0.00 H new ATOM 0 HA SER A 78 -15.829 -0.136 -17.344 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.485 0.449 -19.679 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.941 0.469 -18.851 1.00 0.00 H new ATOM 0 HG SER A 78 -14.952 -1.381 -20.727 1.00 0.00 H new ATOM 1230 N PHE A 79 -16.112 -3.098 -18.634 1.00 0.00 N ATOM 1231 CA PHE A 79 -17.086 -4.130 -18.973 1.00 0.00 C ATOM 1232 C PHE A 79 -17.196 -5.168 -17.866 1.00 0.00 C ATOM 1233 O PHE A 79 -17.492 -6.336 -18.123 1.00 0.00 O ATOM 1234 CB PHE A 79 -16.700 -4.816 -20.287 1.00 0.00 C ATOM 1235 CG PHE A 79 -16.672 -3.889 -21.469 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -15.468 -3.514 -22.045 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -17.848 -3.390 -22.007 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -15.440 -2.662 -23.133 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -17.824 -2.539 -23.095 1.00 0.00 C ATOM 1240 CZ PHE A 79 -16.617 -2.175 -23.657 1.00 0.00 C ATOM 0 H PHE A 79 -15.155 -3.438 -18.538 1.00 0.00 H new ATOM 0 HA PHE A 79 -18.056 -3.646 -19.090 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -15.717 -5.273 -20.172 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -17.406 -5.623 -20.486 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -14.541 -3.892 -21.639 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -18.795 -3.670 -21.570 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -14.495 -2.378 -23.572 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -18.748 -2.159 -23.505 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.596 -1.509 -24.507 1.00 0.00 H new ATOM 1250 N GLY A 80 -16.961 -4.737 -16.631 1.00 0.00 N ATOM 1251 CA GLY A 80 -16.983 -5.641 -15.487 1.00 0.00 C ATOM 1252 C GLY A 80 -18.312 -5.556 -14.747 1.00 0.00 C ATOM 1253 O GLY A 80 -19.326 -5.147 -15.314 1.00 0.00 O ATOM 0 H GLY A 80 -16.753 -3.766 -16.397 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.816 -6.664 -15.824 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.168 -5.392 -14.807 1.00 0.00 H new ATOM 1257 N PRO A 81 -18.301 -5.947 -13.477 1.00 0.00 N ATOM 1258 CA PRO A 81 -19.506 -5.913 -12.654 1.00 0.00 C ATOM 1259 C PRO A 81 -20.090 -4.507 -12.593 1.00 0.00 C ATOM 1260 O PRO A 81 -20.756 -4.094 -13.501 1.00 0.00 O ATOM 1261 CB PRO A 81 -19.000 -6.376 -11.284 1.00 0.00 C ATOM 1262 CG PRO A 81 -17.812 -7.218 -11.599 1.00 0.00 C ATOM 1263 CD PRO A 81 -17.154 -6.519 -12.758 1.00 0.00 C ATOM 1264 OXT PRO A 81 -19.883 -3.812 -11.637 1.00 0.00 O ATOM 0 HA PRO A 81 -20.312 -6.536 -13.041 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -18.732 -5.530 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -19.761 -6.945 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -17.139 -7.291 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -18.104 -8.235 -11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.458 -5.749 -12.425 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.588 -7.211 -13.382 1.00 0.00 H new TER 1272 PRO A 81