USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 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= 0.43 USER MOD Set 1.2: A 49 SER OG : rot 92:sc= 1.62 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 -121:sc= 1.25 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.03 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.652 USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 1.15 (180deg=1.04) 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 -5:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= -0.241! C(o=-0.24!,f=-9.6!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.14) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.665 K(o=0.66,f=-6.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 104:sc= 1.3 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00424 X(o=-0.0042,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -30:sc= 0.475 USER MOD Single : A 66 GLN : amide:sc= -0.0757 X(o=-0.076,f=-0.15) USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 SER OG : rot -28:sc= 0.81 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.699 -16.228 -5.743 1.00 0.00 N ATOM 2 CA SER A 1 -1.949 -15.135 -4.811 1.00 0.00 C ATOM 3 C SER A 1 -2.808 -14.052 -5.449 1.00 0.00 C ATOM 4 O SER A 1 -4.037 -14.133 -5.437 1.00 0.00 O ATOM 5 CB SER A 1 -0.636 -14.539 -4.341 1.00 0.00 C ATOM 6 OG SER A 1 0.058 -13.950 -5.406 1.00 0.00 O ATOM 0 H1 SER A 1 -1.111 -16.951 -5.281 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.604 -16.651 -6.033 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.203 -15.863 -6.581 1.00 0.00 H new ATOM 0 HA SER A 1 -2.490 -15.540 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.827 -13.793 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.021 -15.317 -3.887 1.00 0.00 H new ATOM 0 HG SER A 1 0.900 -13.571 -5.078 1.00 0.00 H new ATOM 11 N VAL A 2 -2.156 -13.038 -6.008 1.00 0.00 N ATOM 12 CA VAL A 2 -2.861 -11.920 -6.623 1.00 0.00 C ATOM 13 C VAL A 2 -2.372 -11.678 -8.047 1.00 0.00 C ATOM 14 O VAL A 2 -1.286 -12.117 -8.423 1.00 0.00 O ATOM 15 CB VAL A 2 -2.662 -10.639 -5.791 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.265 -10.806 -4.404 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.181 -10.306 -5.699 1.00 0.00 C ATOM 0 H VAL A 2 -1.139 -12.968 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.921 -12.174 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.174 -9.813 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.115 -9.892 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.332 -11.008 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.780 -11.638 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.048 -9.399 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.652 -11.130 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.780 -10.150 -6.701 1.00 0.00 H new ATOM 27 N LYS A 3 -3.182 -10.976 -8.833 1.00 0.00 N ATOM 28 CA LYS A 3 -2.817 -10.641 -10.204 1.00 0.00 C ATOM 29 C LYS A 3 -1.613 -9.709 -10.241 1.00 0.00 C ATOM 30 O LYS A 3 -0.597 -10.015 -10.863 1.00 0.00 O ATOM 31 CB LYS A 3 -4.000 -10.001 -10.933 1.00 0.00 C ATOM 32 CG LYS A 3 -3.704 -9.581 -12.366 1.00 0.00 C ATOM 33 CD LYS A 3 -4.956 -9.069 -13.062 1.00 0.00 C ATOM 34 CE LYS A 3 -4.633 -8.501 -14.436 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.863 -8.124 -15.184 1.00 0.00 N ATOM 0 H LYS A 3 -4.096 -10.628 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.547 -11.567 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.832 -10.705 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.327 -9.126 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.940 -8.803 -12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.299 -10.428 -12.919 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.676 -9.881 -13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.426 -8.299 -12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.993 -7.626 -14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.070 -9.237 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.606 -7.532 -16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.343 -8.984 -15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.501 -7.592 -14.558 1.00 0.00 H new ATOM 49 N GLU A 4 -1.734 -8.569 -9.569 1.00 0.00 N ATOM 50 CA GLU A 4 -0.648 -7.596 -9.509 1.00 0.00 C ATOM 51 C GLU A 4 -0.086 -7.484 -8.098 1.00 0.00 C ATOM 52 O GLU A 4 -0.817 -7.612 -7.115 1.00 0.00 O ATOM 53 CB GLU A 4 -1.134 -6.225 -9.984 1.00 0.00 C ATOM 54 CG GLU A 4 -1.580 -6.186 -11.439 1.00 0.00 C ATOM 55 CD GLU A 4 -1.987 -4.812 -11.890 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.362 -3.863 -11.479 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.925 -4.709 -12.646 1.00 0.00 O ATOM 0 H GLU A 4 -2.573 -8.296 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 4 0.147 -7.943 -10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.965 -5.909 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.333 -5.500 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.769 -6.545 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.417 -6.870 -11.575 1.00 0.00 H new ATOM 64 N THR A 5 1.218 -7.245 -8.003 1.00 0.00 N ATOM 65 CA THR A 5 1.886 -7.142 -6.711 1.00 0.00 C ATOM 66 C THR A 5 2.458 -5.746 -6.497 1.00 0.00 C ATOM 67 O THR A 5 3.149 -5.493 -5.510 1.00 0.00 O ATOM 68 CB THR A 5 3.009 -8.188 -6.582 1.00 0.00 C ATOM 69 OG1 THR A 5 3.979 -7.979 -7.617 1.00 0.00 O ATOM 70 CG2 THR A 5 2.444 -9.594 -6.698 1.00 0.00 C ATOM 0 H THR A 5 1.834 -7.119 -8.806 1.00 0.00 H new ATOM 0 HA THR A 5 1.136 -7.335 -5.944 1.00 0.00 H new ATOM 0 HB THR A 5 3.479 -8.077 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.694 -8.644 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.252 -10.320 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.714 -9.759 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.960 -9.713 -7.667 1.00 0.00 H new ATOM 78 N LYS A 6 2.166 -4.843 -7.426 1.00 0.00 N ATOM 79 CA LYS A 6 2.740 -3.504 -7.400 1.00 0.00 C ATOM 80 C LYS A 6 2.472 -2.816 -6.069 1.00 0.00 C ATOM 81 O LYS A 6 3.394 -2.330 -5.413 1.00 0.00 O ATOM 82 CB LYS A 6 2.184 -2.660 -8.549 1.00 0.00 C ATOM 83 CG LYS A 6 2.730 -1.239 -8.608 1.00 0.00 C ATOM 84 CD LYS A 6 2.167 -0.480 -9.800 1.00 0.00 C ATOM 85 CE LYS A 6 2.675 0.954 -9.833 1.00 0.00 C ATOM 86 NZ LYS A 6 2.164 1.699 -11.016 1.00 0.00 N ATOM 0 H LYS A 6 1.534 -5.015 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 6 3.819 -3.602 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.405 -3.161 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.099 -2.616 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.479 -0.712 -7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.818 -1.267 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.447 -0.988 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.078 -0.481 -9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.370 1.468 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.765 0.952 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.534 2.671 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.476 1.224 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.125 1.723 -10.988 1.00 0.00 H new ATOM 100 N LEU A 7 1.204 -2.777 -5.673 1.00 0.00 N ATOM 101 CA LEU A 7 0.799 -2.057 -4.471 1.00 0.00 C ATOM 102 C LEU A 7 1.326 -2.739 -3.216 1.00 0.00 C ATOM 103 O LEU A 7 1.624 -2.080 -2.220 1.00 0.00 O ATOM 104 CB LEU A 7 -0.731 -1.959 -4.403 1.00 0.00 C ATOM 105 CG LEU A 7 -1.400 -1.173 -5.538 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.901 -1.110 -5.298 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.798 0.222 -5.611 1.00 0.00 C ATOM 0 H LEU A 7 0.439 -3.236 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 7 1.225 -1.055 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.141 -2.969 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.005 -1.496 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.226 -1.673 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.375 -0.551 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.308 -2.121 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.097 -0.612 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.273 0.781 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.962 0.739 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.272 0.147 -5.803 1.00 0.00 H new ATOM 119 N TYR A 8 1.442 -4.061 -3.271 1.00 0.00 N ATOM 120 CA TYR A 8 1.975 -4.831 -2.153 1.00 0.00 C ATOM 121 C TYR A 8 3.473 -4.600 -1.992 1.00 0.00 C ATOM 122 O TYR A 8 3.993 -4.599 -0.877 1.00 0.00 O ATOM 123 CB TYR A 8 1.685 -6.321 -2.341 1.00 0.00 C ATOM 124 CG TYR A 8 0.217 -6.673 -2.249 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.486 -7.024 -3.392 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.427 -6.645 -1.021 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.827 -7.346 -3.307 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.768 -6.967 -0.935 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.467 -7.316 -2.073 1.00 0.00 C ATOM 130 OH TYR A 8 -3.802 -7.636 -1.989 1.00 0.00 O ATOM 0 H TYR A 8 1.174 -4.623 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 8 1.479 -4.489 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.064 -6.636 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.233 -6.886 -1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.015 -7.046 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.120 -6.371 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.376 -7.620 -4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.269 -6.946 0.022 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.161 -7.779 -2.889 1.00 0.00 H new ATOM 140 N ASP A 9 4.160 -4.407 -3.112 1.00 0.00 N ATOM 141 CA ASP A 9 5.586 -4.105 -3.094 1.00 0.00 C ATOM 142 C ASP A 9 5.845 -2.695 -2.577 1.00 0.00 C ATOM 143 O ASP A 9 6.832 -2.448 -1.884 1.00 0.00 O ATOM 144 CB ASP A 9 6.186 -4.261 -4.492 1.00 0.00 C ATOM 145 CG ASP A 9 6.285 -5.714 -4.938 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.207 -6.580 -4.096 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.436 -5.946 -6.112 1.00 0.00 O ATOM 0 H ASP A 9 3.752 -4.454 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 9 6.065 -4.814 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.577 -3.708 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.180 -3.814 -4.507 1.00 0.00 H new ATOM 152 N LEU A 10 4.952 -1.772 -2.920 1.00 0.00 N ATOM 153 CA LEU A 10 5.040 -0.402 -2.430 1.00 0.00 C ATOM 154 C LEU A 10 4.917 -0.350 -0.913 1.00 0.00 C ATOM 155 O LEU A 10 5.637 0.394 -0.247 1.00 0.00 O ATOM 156 CB LEU A 10 3.942 0.460 -3.067 1.00 0.00 C ATOM 157 CG LEU A 10 4.125 0.777 -4.556 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.875 1.465 -5.087 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.353 1.655 -4.741 1.00 0.00 C ATOM 0 H LEU A 10 4.159 -1.949 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 10 6.018 -0.009 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.986 -0.048 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.880 1.400 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 10 4.274 -0.145 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.005 1.690 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.015 0.807 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.708 2.391 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.483 1.880 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.223 2.584 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.234 1.131 -4.371 1.00 0.00 H new ATOM 171 N LEU A 11 4.002 -1.146 -0.370 1.00 0.00 N ATOM 172 CA LEU A 11 3.807 -1.217 1.073 1.00 0.00 C ATOM 173 C LEU A 11 4.857 -2.105 1.728 1.00 0.00 C ATOM 174 O LEU A 11 5.217 -1.906 2.888 1.00 0.00 O ATOM 175 CB LEU A 11 2.405 -1.752 1.392 1.00 0.00 C ATOM 176 CG LEU A 11 1.238 -0.859 0.954 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.081 -1.531 1.319 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.360 0.502 1.622 1.00 0.00 C ATOM 0 H LEU A 11 3.383 -1.752 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 11 3.911 -0.209 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.291 -2.726 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.333 -1.911 2.468 1.00 0.00 H new ATOM 0 HG LEU A 11 1.265 -0.715 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.911 -0.897 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.151 -2.494 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.125 -1.684 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.530 1.136 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.336 0.379 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.302 0.967 1.330 1.00 0.00 H new ATOM 190 N GLY A 12 5.345 -3.087 0.977 1.00 0.00 N ATOM 191 CA GLY A 12 6.350 -4.014 1.487 1.00 0.00 C ATOM 192 C GLY A 12 5.713 -5.098 2.346 1.00 0.00 C ATOM 193 O GLY A 12 6.228 -5.443 3.409 1.00 0.00 O ATOM 0 H GLY A 12 5.061 -3.262 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.882 -4.473 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.088 -3.468 2.074 1.00 0.00 H new ATOM 197 N VAL A 13 4.589 -5.633 1.879 1.00 0.00 N ATOM 198 CA VAL A 13 3.809 -6.582 2.665 1.00 0.00 C ATOM 199 C VAL A 13 3.243 -7.690 1.784 1.00 0.00 C ATOM 200 O VAL A 13 2.847 -7.449 0.644 1.00 0.00 O ATOM 201 CB VAL A 13 2.654 -5.860 3.381 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.715 -5.219 2.370 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.902 -6.840 4.270 1.00 0.00 C ATOM 0 H VAL A 13 4.198 -5.425 0.960 1.00 0.00 H new ATOM 0 HA VAL A 13 4.475 -7.028 3.404 1.00 0.00 H new ATOM 0 HB VAL A 13 3.067 -5.068 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.905 -4.713 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.266 -4.495 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.301 -5.989 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.086 -6.322 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.498 -7.648 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.583 -7.253 5.014 1.00 0.00 H new ATOM 213 N SER A 14 3.208 -8.905 2.320 1.00 0.00 N ATOM 214 CA SER A 14 2.715 -10.058 1.577 1.00 0.00 C ATOM 215 C SER A 14 1.248 -9.886 1.204 1.00 0.00 C ATOM 216 O SER A 14 0.462 -9.338 1.976 1.00 0.00 O ATOM 217 CB SER A 14 2.895 -11.323 2.392 1.00 0.00 C ATOM 218 OG SER A 14 2.303 -12.420 1.754 1.00 0.00 O ATOM 0 H SER A 14 3.516 -9.117 3.269 1.00 0.00 H new ATOM 0 HA SER A 14 3.295 -10.137 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.957 -11.515 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.453 -11.190 3.379 1.00 0.00 H new ATOM 0 HG SER A 14 1.624 -12.812 2.341 1.00 0.00 H new ATOM 224 N PRO A 15 0.884 -10.359 0.016 1.00 0.00 N ATOM 225 CA PRO A 15 -0.497 -10.290 -0.444 1.00 0.00 C ATOM 226 C PRO A 15 -1.385 -11.255 0.332 1.00 0.00 C ATOM 227 O PRO A 15 -2.612 -11.190 0.249 1.00 0.00 O ATOM 228 CB PRO A 15 -0.388 -10.689 -1.919 1.00 0.00 C ATOM 229 CG PRO A 15 0.814 -11.569 -1.973 1.00 0.00 C ATOM 230 CD PRO A 15 1.776 -10.949 -0.995 1.00 0.00 C ATOM 0 HA PRO A 15 -0.951 -9.310 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.281 -11.214 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.271 -9.815 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.569 -12.594 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.236 -11.604 -2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.444 -11.692 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.404 -10.195 -1.469 1.00 0.00 H new ATOM 238 N SER A 16 -0.758 -12.150 1.088 1.00 0.00 N ATOM 239 CA SER A 16 -1.488 -13.069 1.954 1.00 0.00 C ATOM 240 C SER A 16 -1.987 -12.363 3.210 1.00 0.00 C ATOM 241 O SER A 16 -2.812 -12.900 3.947 1.00 0.00 O ATOM 242 CB SER A 16 -0.605 -14.238 2.337 1.00 0.00 C ATOM 243 OG SER A 16 0.447 -13.823 3.164 1.00 0.00 O ATOM 0 H SER A 16 0.256 -12.259 1.119 1.00 0.00 H new ATOM 0 HA SER A 16 -2.353 -13.436 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.199 -14.994 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.203 -14.705 1.438 1.00 0.00 H new ATOM 0 HG SER A 16 1.002 -14.595 3.399 1.00 0.00 H new ATOM 249 N ALA A 17 -1.480 -11.158 3.446 1.00 0.00 N ATOM 250 CA ALA A 17 -1.875 -10.376 4.611 1.00 0.00 C ATOM 251 C ALA A 17 -3.283 -9.817 4.448 1.00 0.00 C ATOM 252 O ALA A 17 -3.710 -9.499 3.339 1.00 0.00 O ATOM 253 CB ALA A 17 -0.883 -9.247 4.853 1.00 0.00 C ATOM 0 H ALA A 17 -0.794 -10.701 2.845 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.873 -11.039 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.192 -8.672 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.109 -9.665 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.855 -8.594 3.981 1.00 0.00 H new ATOM 259 N ASN A 18 -4.000 -9.702 5.561 1.00 0.00 N ATOM 260 CA ASN A 18 -5.337 -9.120 5.554 1.00 0.00 C ATOM 261 C ASN A 18 -5.279 -7.606 5.710 1.00 0.00 C ATOM 262 O ASN A 18 -4.209 -7.034 5.912 1.00 0.00 O ATOM 263 CB ASN A 18 -6.194 -9.737 6.643 1.00 0.00 C ATOM 264 CG ASN A 18 -5.706 -9.398 8.024 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.951 -8.437 8.210 1.00 0.00 O ATOM 266 ND2 ASN A 18 -6.124 -10.170 8.995 1.00 0.00 N ATOM 0 H ASN A 18 -3.677 -10.004 6.480 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.793 -9.340 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.222 -9.393 6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.205 -10.820 6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.827 -9.990 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.747 -10.952 8.793 1.00 0.00 H new ATOM 273 N GLU A 19 -6.438 -6.962 5.616 1.00 0.00 N ATOM 274 CA GLU A 19 -6.503 -5.506 5.561 1.00 0.00 C ATOM 275 C GLU A 19 -5.861 -4.879 6.793 1.00 0.00 C ATOM 276 O GLU A 19 -5.283 -3.795 6.721 1.00 0.00 O ATOM 277 CB GLU A 19 -7.956 -5.041 5.439 1.00 0.00 C ATOM 278 CG GLU A 19 -8.626 -5.413 4.123 1.00 0.00 C ATOM 279 CD GLU A 19 -9.172 -6.813 4.121 1.00 0.00 C ATOM 280 OE1 GLU A 19 -9.005 -7.498 5.101 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.760 -7.198 3.137 1.00 0.00 O ATOM 0 H GLU A 19 -7.346 -7.426 5.576 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.948 -5.181 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.532 -5.469 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.989 -3.958 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.436 -4.712 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.906 -5.308 3.312 1.00 0.00 H new ATOM 288 N GLN A 20 -5.968 -5.568 7.924 1.00 0.00 N ATOM 289 CA GLN A 20 -5.397 -5.082 9.174 1.00 0.00 C ATOM 290 C GLN A 20 -3.875 -5.103 9.129 1.00 0.00 C ATOM 291 O GLN A 20 -3.218 -4.151 9.553 1.00 0.00 O ATOM 292 CB GLN A 20 -5.898 -5.919 10.354 1.00 0.00 C ATOM 293 CG GLN A 20 -7.375 -5.740 10.662 1.00 0.00 C ATOM 294 CD GLN A 20 -7.852 -6.664 11.765 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.267 -7.725 12.004 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.921 -6.268 12.448 1.00 0.00 N ATOM 0 H GLN A 20 -6.446 -6.466 8.000 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.721 -4.050 9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.707 -6.972 10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.319 -5.660 11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.560 -4.706 10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.957 -5.926 9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.374 -5.384 12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.288 -6.848 13.202 1.00 0.00 H new ATOM 305 N GLU A 21 -3.318 -6.195 8.617 1.00 0.00 N ATOM 306 CA GLU A 21 -1.872 -6.330 8.489 1.00 0.00 C ATOM 307 C GLU A 21 -1.336 -5.468 7.354 1.00 0.00 C ATOM 308 O GLU A 21 -0.206 -4.982 7.410 1.00 0.00 O ATOM 309 CB GLU A 21 -1.493 -7.794 8.255 1.00 0.00 C ATOM 310 CG GLU A 21 -1.741 -8.707 9.448 1.00 0.00 C ATOM 311 CD GLU A 21 -0.933 -8.324 10.656 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.249 -8.117 10.516 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.498 -8.238 11.722 1.00 0.00 O ATOM 0 H GLU A 21 -3.847 -7.001 8.283 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.421 -5.988 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.057 -8.171 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.438 -7.845 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.800 -8.683 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.504 -9.734 9.169 1.00 0.00 H new ATOM 320 N LEU A 22 -2.153 -5.282 6.323 1.00 0.00 N ATOM 321 CA LEU A 22 -1.805 -4.396 5.219 1.00 0.00 C ATOM 322 C LEU A 22 -1.720 -2.946 5.683 1.00 0.00 C ATOM 323 O LEU A 22 -0.872 -2.185 5.215 1.00 0.00 O ATOM 324 CB LEU A 22 -2.839 -4.517 4.093 1.00 0.00 C ATOM 325 CG LEU A 22 -2.866 -5.864 3.359 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.050 -5.898 2.403 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.555 -6.063 2.613 1.00 0.00 C ATOM 0 H LEU A 22 -3.063 -5.734 6.229 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.826 -4.698 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.828 -4.332 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.649 -3.730 3.363 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.980 -6.677 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.069 -6.855 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.975 -5.773 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.954 -5.091 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.575 -7.020 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.422 -5.258 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.728 -6.053 3.322 1.00 0.00 H new ATOM 339 N LYS A 23 -2.601 -2.572 6.603 1.00 0.00 N ATOM 340 CA LYS A 23 -2.529 -1.266 7.247 1.00 0.00 C ATOM 341 C LYS A 23 -1.204 -1.085 7.979 1.00 0.00 C ATOM 342 O LYS A 23 -0.568 -0.037 7.878 1.00 0.00 O ATOM 343 CB LYS A 23 -3.696 -1.082 8.220 1.00 0.00 C ATOM 344 CG LYS A 23 -3.704 0.257 8.945 1.00 0.00 C ATOM 345 CD LYS A 23 -4.933 0.397 9.831 1.00 0.00 C ATOM 346 CE LYS A 23 -4.931 1.723 10.576 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.126 1.873 11.450 1.00 0.00 N ATOM 0 H LYS A 23 -3.375 -3.156 6.920 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.595 -0.507 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.632 -1.190 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.666 -1.882 8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.803 0.350 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.683 1.068 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.833 0.322 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.963 -0.424 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.028 1.797 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.902 2.542 9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.085 2.790 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.988 1.828 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.141 1.106 12.152 1.00 0.00 H new ATOM 361 N LYS A 24 -0.794 -2.113 8.713 1.00 0.00 N ATOM 362 CA LYS A 24 0.485 -2.094 9.413 1.00 0.00 C ATOM 363 C LYS A 24 1.639 -1.877 8.444 1.00 0.00 C ATOM 364 O LYS A 24 2.582 -1.143 8.741 1.00 0.00 O ATOM 365 CB LYS A 24 0.689 -3.394 10.192 1.00 0.00 C ATOM 366 CG LYS A 24 -0.238 -3.562 11.388 1.00 0.00 C ATOM 367 CD LYS A 24 -0.020 -4.905 12.070 1.00 0.00 C ATOM 368 CE LYS A 24 -1.003 -5.113 13.213 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.861 -6.458 13.833 1.00 0.00 N ATOM 0 H LYS A 24 -1.330 -2.972 8.839 1.00 0.00 H new ATOM 0 HA LYS A 24 0.468 -1.261 10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.545 -4.236 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.721 -3.437 10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.065 -2.757 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.275 -3.481 11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.132 -5.708 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.000 -4.960 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.845 -4.346 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.021 -4.990 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.513 -6.539 14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.087 -7.190 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.116 -6.586 14.165 1.00 0.00 H new ATOM 383 N GLY A 25 1.559 -2.517 7.283 1.00 0.00 N ATOM 384 CA GLY A 25 2.547 -2.319 6.228 1.00 0.00 C ATOM 385 C GLY A 25 2.612 -0.859 5.802 1.00 0.00 C ATOM 386 O GLY A 25 3.693 -0.296 5.640 1.00 0.00 O ATOM 0 H GLY A 25 0.819 -3.179 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.527 -2.642 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.295 -2.940 5.369 1.00 0.00 H new ATOM 390 N TYR A 26 1.445 -0.248 5.619 1.00 0.00 N ATOM 391 CA TYR A 26 1.364 1.165 5.269 1.00 0.00 C ATOM 392 C TYR A 26 1.995 2.036 6.349 1.00 0.00 C ATOM 393 O TYR A 26 2.769 2.946 6.051 1.00 0.00 O ATOM 394 CB TYR A 26 -0.089 1.576 5.034 1.00 0.00 C ATOM 395 CG TYR A 26 -0.276 3.062 4.821 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.304 3.683 3.724 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.026 3.805 5.721 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.133 5.040 3.527 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.198 5.161 5.525 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.620 5.778 4.433 1.00 0.00 C ATOM 401 OH TYR A 26 -0.789 7.130 4.238 1.00 0.00 O ATOM 0 H TYR A 26 0.541 -0.711 5.708 1.00 0.00 H new ATOM 0 HA TYR A 26 1.923 1.315 4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.472 1.043 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.688 1.263 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.889 3.105 3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.476 3.322 6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.582 5.525 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.784 5.738 6.225 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.615 7.349 3.299 1.00 0.00 H new ATOM 411 N ARG A 27 1.657 1.752 7.601 1.00 0.00 N ATOM 412 CA ARG A 27 2.167 2.528 8.727 1.00 0.00 C ATOM 413 C ARG A 27 3.690 2.555 8.733 1.00 0.00 C ATOM 414 O ARG A 27 4.300 3.594 8.985 1.00 0.00 O ATOM 415 CB ARG A 27 1.668 1.952 10.044 1.00 0.00 C ATOM 416 CG ARG A 27 0.183 2.149 10.306 1.00 0.00 C ATOM 417 CD ARG A 27 -0.246 1.480 11.562 1.00 0.00 C ATOM 418 NE ARG A 27 0.342 2.104 12.737 1.00 0.00 N ATOM 419 CZ ARG A 27 0.316 1.577 13.977 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.270 0.419 14.185 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.880 2.224 14.982 1.00 0.00 N ATOM 0 H ARG A 27 1.032 0.990 7.863 1.00 0.00 H new ATOM 0 HA ARG A 27 1.799 3.548 8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.887 0.884 10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.230 2.408 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.038 3.215 10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.390 1.752 9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.333 1.514 11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.039 0.428 11.529 1.00 0.00 H new ATOM 0 HE ARG A 27 0.807 3.004 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.704 -0.080 13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.290 0.019 15.123 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.335 3.122 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.860 1.825 15.921 1.00 0.00 H new ATOM 435 N LYS A 28 4.298 1.407 8.452 1.00 0.00 N ATOM 436 CA LYS A 28 5.750 1.308 8.378 1.00 0.00 C ATOM 437 C LYS A 28 6.297 2.114 7.205 1.00 0.00 C ATOM 438 O LYS A 28 7.263 2.865 7.352 1.00 0.00 O ATOM 439 CB LYS A 28 6.183 -0.154 8.257 1.00 0.00 C ATOM 440 CG LYS A 28 5.958 -0.980 9.516 1.00 0.00 C ATOM 441 CD LYS A 28 6.372 -2.430 9.306 1.00 0.00 C ATOM 442 CE LYS A 28 6.123 -3.264 10.553 1.00 0.00 C ATOM 443 NZ LYS A 28 6.493 -4.691 10.352 1.00 0.00 N ATOM 0 H LYS A 28 3.806 0.532 8.272 1.00 0.00 H new ATOM 0 HA LYS A 28 6.159 1.723 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.639 -0.615 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.242 -0.187 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.528 -0.552 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.906 -0.937 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.816 -2.851 8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.429 -2.474 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.697 -2.854 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.071 -3.198 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.308 -5.224 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.927 -5.090 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.503 -4.757 10.114 1.00 0.00 H new ATOM 457 N ALA A 29 5.676 1.954 6.042 1.00 0.00 N ATOM 458 CA ALA A 29 6.088 2.679 4.847 1.00 0.00 C ATOM 459 C ALA A 29 5.845 4.174 4.998 1.00 0.00 C ATOM 460 O ALA A 29 6.618 4.994 4.499 1.00 0.00 O ATOM 461 CB ALA A 29 5.355 2.145 3.624 1.00 0.00 C ATOM 0 H ALA A 29 4.884 1.327 5.902 1.00 0.00 H new ATOM 0 HA ALA A 29 7.158 2.524 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.673 2.697 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.585 1.087 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.281 2.268 3.761 1.00 0.00 H new ATOM 467 N ALA A 30 4.767 4.527 5.690 1.00 0.00 N ATOM 468 CA ALA A 30 4.424 5.926 5.915 1.00 0.00 C ATOM 469 C ALA A 30 5.491 6.629 6.745 1.00 0.00 C ATOM 470 O ALA A 30 5.838 7.779 6.482 1.00 0.00 O ATOM 471 CB ALA A 30 3.068 6.037 6.595 1.00 0.00 C ATOM 0 H ALA A 30 4.115 3.862 6.105 1.00 0.00 H new ATOM 0 HA ALA A 30 4.373 6.419 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.827 7.088 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.306 5.582 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.099 5.521 7.554 1.00 0.00 H new ATOM 477 N LEU A 31 6.009 5.929 7.749 1.00 0.00 N ATOM 478 CA LEU A 31 7.129 6.429 8.535 1.00 0.00 C ATOM 479 C LEU A 31 8.390 6.540 7.688 1.00 0.00 C ATOM 480 O LEU A 31 9.146 7.506 7.802 1.00 0.00 O ATOM 481 CB LEU A 31 7.390 5.508 9.734 1.00 0.00 C ATOM 482 CG LEU A 31 6.319 5.527 10.831 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.615 4.432 11.848 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.297 6.897 11.494 1.00 0.00 C ATOM 0 H LEU A 31 5.669 5.011 8.037 1.00 0.00 H new ATOM 0 HA LEU A 31 6.867 7.424 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.492 4.486 9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.346 5.784 10.180 1.00 0.00 H new ATOM 0 HG LEU A 31 5.337 5.338 10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.854 4.445 12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.608 3.462 11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.595 4.605 12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.536 6.912 12.274 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.272 7.104 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.067 7.658 10.749 1.00 0.00 H new ATOM 496 N LYS A 32 8.615 5.545 6.837 1.00 0.00 N ATOM 497 CA LYS A 32 9.779 5.534 5.959 1.00 0.00 C ATOM 498 C LYS A 32 9.819 6.778 5.081 1.00 0.00 C ATOM 499 O LYS A 32 10.866 7.406 4.925 1.00 0.00 O ATOM 500 CB LYS A 32 9.784 4.276 5.089 1.00 0.00 C ATOM 501 CG LYS A 32 10.985 4.156 4.163 1.00 0.00 C ATOM 502 CD LYS A 32 10.954 2.849 3.384 1.00 0.00 C ATOM 503 CE LYS A 32 12.154 2.728 2.455 1.00 0.00 C ATOM 504 NZ LYS A 32 12.142 1.449 1.695 1.00 0.00 N ATOM 0 H LYS A 32 8.005 4.734 6.737 1.00 0.00 H new ATOM 0 HA LYS A 32 10.669 5.532 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.752 3.401 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.875 4.261 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.997 4.996 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.904 4.212 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.944 2.009 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.034 2.792 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.158 3.565 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.072 2.795 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.975 1.406 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.164 0.650 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.278 1.396 1.118 1.00 0.00 H new ATOM 518 N TYR A 33 8.672 7.129 4.510 1.00 0.00 N ATOM 519 CA TYR A 33 8.586 8.265 3.600 1.00 0.00 C ATOM 520 C TYR A 33 7.861 9.437 4.248 1.00 0.00 C ATOM 521 O TYR A 33 7.286 10.281 3.562 1.00 0.00 O ATOM 522 CB TYR A 33 7.883 7.860 2.302 1.00 0.00 C ATOM 523 CG TYR A 33 8.580 6.744 1.554 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.965 5.507 1.426 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.831 6.958 0.996 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.601 4.488 0.742 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.466 5.939 0.313 1.00 0.00 C ATOM 528 CZ TYR A 33 9.855 4.709 0.186 1.00 0.00 C ATOM 529 OH TYR A 33 10.489 3.694 -0.495 1.00 0.00 O ATOM 0 H TYR A 33 7.788 6.643 4.661 1.00 0.00 H new ATOM 0 HA TYR A 33 9.602 8.583 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.864 7.549 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.811 8.732 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.990 5.340 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.309 7.921 1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.125 3.524 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.441 6.105 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 33 11.356 4.012 -0.822 1.00 0.00 H new ATOM 539 N HIS A 34 7.893 9.485 5.576 1.00 0.00 N ATOM 540 CA HIS A 34 7.179 10.513 6.324 1.00 0.00 C ATOM 541 C HIS A 34 7.751 11.896 6.042 1.00 0.00 C ATOM 542 O HIS A 34 8.965 12.096 6.081 1.00 0.00 O ATOM 543 CB HIS A 34 7.236 10.226 7.827 1.00 0.00 C ATOM 544 CG HIS A 34 6.215 10.979 8.623 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.309 12.333 8.862 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.079 10.567 9.233 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.274 12.723 9.586 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.513 11.670 9.824 1.00 0.00 N ATOM 0 H HIS A 34 8.407 8.822 6.157 1.00 0.00 H new ATOM 0 HA HIS A 34 6.139 10.495 5.997 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.095 9.157 7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.230 10.476 8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.690 9.559 9.251 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.083 13.731 9.925 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.645 11.675 10.360 1.00 0.00 H new ATOM 556 N PRO A 35 6.870 12.848 5.759 1.00 0.00 N ATOM 557 CA PRO A 35 7.290 14.185 5.353 1.00 0.00 C ATOM 558 C PRO A 35 8.245 14.795 6.371 1.00 0.00 C ATOM 559 O PRO A 35 9.157 15.540 6.011 1.00 0.00 O ATOM 560 CB PRO A 35 5.968 14.956 5.286 1.00 0.00 C ATOM 561 CG PRO A 35 4.965 13.929 4.886 1.00 0.00 C ATOM 562 CD PRO A 35 5.386 12.687 5.623 1.00 0.00 C ATOM 0 HA PRO A 35 7.837 14.198 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.718 15.403 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.017 15.768 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.955 14.232 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.967 13.771 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.899 12.613 6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.129 11.784 5.068 1.00 0.00 H new ATOM 570 N ASP A 36 8.031 14.473 7.642 1.00 0.00 N ATOM 571 CA ASP A 36 8.739 15.140 8.730 1.00 0.00 C ATOM 572 C ASP A 36 10.004 14.380 9.110 1.00 0.00 C ATOM 573 O ASP A 36 10.643 14.682 10.118 1.00 0.00 O ATOM 574 CB ASP A 36 7.832 15.278 9.954 1.00 0.00 C ATOM 575 CG ASP A 36 6.664 16.226 9.722 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.776 17.080 8.875 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.667 16.084 10.391 1.00 0.00 O ATOM 0 H ASP A 36 7.373 13.755 7.945 1.00 0.00 H new ATOM 0 HA ASP A 36 9.023 16.133 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.447 14.296 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.421 15.636 10.798 1.00 0.00 H new ATOM 582 N LYS A 37 10.362 13.391 8.298 1.00 0.00 N ATOM 583 CA LYS A 37 11.587 12.631 8.509 1.00 0.00 C ATOM 584 C LYS A 37 12.626 12.951 7.442 1.00 0.00 C ATOM 585 O LYS A 37 12.288 13.413 6.353 1.00 0.00 O ATOM 586 CB LYS A 37 11.290 11.129 8.520 1.00 0.00 C ATOM 587 CG LYS A 37 10.354 10.682 9.635 1.00 0.00 C ATOM 588 CD LYS A 37 10.991 10.878 11.003 1.00 0.00 C ATOM 589 CE LYS A 37 10.097 10.344 12.113 1.00 0.00 C ATOM 590 NZ LYS A 37 10.680 10.582 13.461 1.00 0.00 N ATOM 0 H LYS A 37 9.819 13.097 7.486 1.00 0.00 H new ATOM 0 HA LYS A 37 11.995 12.919 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.853 10.850 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.230 10.585 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.424 11.247 9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.097 9.632 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.955 10.370 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.184 11.938 11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.119 10.821 12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.940 9.275 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.040 10.203 14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.602 10.106 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.806 11.604 13.609 1.00 0.00 H new ATOM 604 N PRO A 38 13.891 12.702 7.763 1.00 0.00 N ATOM 605 CA PRO A 38 14.985 12.978 6.839 1.00 0.00 C ATOM 606 C PRO A 38 14.774 12.267 5.508 1.00 0.00 C ATOM 607 O PRO A 38 15.187 12.758 4.459 1.00 0.00 O ATOM 608 CB PRO A 38 16.210 12.436 7.582 1.00 0.00 C ATOM 609 CG PRO A 38 15.848 12.565 9.023 1.00 0.00 C ATOM 610 CD PRO A 38 14.384 12.222 9.073 1.00 0.00 C ATOM 0 HA PRO A 38 15.078 14.033 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.413 11.399 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.106 13.008 7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.436 11.888 9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.032 13.575 9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.223 11.151 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.880 12.719 9.902 1.00 0.00 H new ATOM 618 N THR A 39 14.129 11.106 5.561 1.00 0.00 N ATOM 619 CA THR A 39 13.930 10.287 4.371 1.00 0.00 C ATOM 620 C THR A 39 12.537 10.489 3.789 1.00 0.00 C ATOM 621 O THR A 39 12.046 9.657 3.024 1.00 0.00 O ATOM 622 CB THR A 39 14.149 8.795 4.684 1.00 0.00 C ATOM 623 OG1 THR A 39 13.236 8.380 5.708 1.00 0.00 O ATOM 624 CG2 THR A 39 15.576 8.551 5.149 1.00 0.00 C ATOM 0 H THR A 39 13.735 10.711 6.415 1.00 0.00 H new ATOM 0 HA THR A 39 14.666 10.605 3.633 1.00 0.00 H new ATOM 0 HB THR A 39 13.972 8.219 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.508 7.862 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.712 7.491 5.365 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.271 8.853 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.770 9.133 6.050 1.00 0.00 H new ATOM 632 N GLY A 40 11.902 11.596 4.156 1.00 0.00 N ATOM 633 CA GLY A 40 10.559 11.904 3.681 1.00 0.00 C ATOM 634 C GLY A 40 10.529 12.043 2.163 1.00 0.00 C ATOM 635 O GLY A 40 11.465 12.571 1.562 1.00 0.00 O ATOM 0 H GLY A 40 12.297 12.297 4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.872 11.117 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.211 12.829 4.140 1.00 0.00 H new ATOM 639 N ASP A 41 9.451 11.567 1.552 1.00 0.00 N ATOM 640 CA ASP A 41 9.307 11.619 0.102 1.00 0.00 C ATOM 641 C ASP A 41 7.841 11.639 -0.307 1.00 0.00 C ATOM 642 O ASP A 41 7.159 10.616 -0.264 1.00 0.00 O ATOM 643 CB ASP A 41 10.007 10.421 -0.549 1.00 0.00 C ATOM 644 CG ASP A 41 9.980 10.475 -2.071 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.028 10.986 -2.610 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.912 10.004 -2.677 1.00 0.00 O ATOM 0 H ASP A 41 8.663 11.140 2.039 1.00 0.00 H new ATOM 0 HA ASP A 41 9.774 12.541 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.042 10.383 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.528 9.501 -0.214 1.00 0.00 H new ATOM 651 N THR A 42 7.359 12.814 -0.702 1.00 0.00 N ATOM 652 CA THR A 42 5.941 13.003 -0.985 1.00 0.00 C ATOM 653 C THR A 42 5.474 12.079 -2.102 1.00 0.00 C ATOM 654 O THR A 42 4.393 11.493 -2.023 1.00 0.00 O ATOM 655 CB THR A 42 5.642 14.465 -1.365 1.00 0.00 C ATOM 656 OG1 THR A 42 5.971 15.325 -0.265 1.00 0.00 O ATOM 657 CG2 THR A 42 4.173 14.636 -1.716 1.00 0.00 C ATOM 0 H THR A 42 7.930 13.649 -0.833 1.00 0.00 H new ATOM 0 HA THR A 42 5.395 12.756 -0.075 1.00 0.00 H new ATOM 0 HB THR A 42 6.245 14.729 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.782 16.255 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.981 15.676 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.924 13.994 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.560 14.362 -0.858 1.00 0.00 H new ATOM 665 N GLU A 43 6.292 11.951 -3.139 1.00 0.00 N ATOM 666 CA GLU A 43 5.951 11.116 -4.285 1.00 0.00 C ATOM 667 C GLU A 43 5.728 9.670 -3.865 1.00 0.00 C ATOM 668 O GLU A 43 4.703 9.070 -4.194 1.00 0.00 O ATOM 669 CB GLU A 43 7.057 11.185 -5.342 1.00 0.00 C ATOM 670 CG GLU A 43 6.787 10.353 -6.587 1.00 0.00 C ATOM 671 CD GLU A 43 7.862 10.496 -7.631 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.759 11.278 -7.428 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.784 9.822 -8.630 1.00 0.00 O ATOM 0 H GLU A 43 7.197 12.415 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 43 5.023 11.497 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.196 12.225 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.993 10.853 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.699 9.304 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.830 10.649 -7.015 1.00 0.00 H new ATOM 680 N LYS A 44 6.689 9.113 -3.137 1.00 0.00 N ATOM 681 CA LYS A 44 6.605 7.731 -2.681 1.00 0.00 C ATOM 682 C LYS A 44 5.531 7.569 -1.612 1.00 0.00 C ATOM 683 O LYS A 44 4.884 6.526 -1.522 1.00 0.00 O ATOM 684 CB LYS A 44 7.957 7.260 -2.144 1.00 0.00 C ATOM 685 CG LYS A 44 9.070 7.229 -3.183 1.00 0.00 C ATOM 686 CD LYS A 44 8.703 6.335 -4.359 1.00 0.00 C ATOM 687 CE LYS A 44 8.761 4.865 -3.976 1.00 0.00 C ATOM 688 NZ LYS A 44 8.486 3.976 -5.138 1.00 0.00 N ATOM 0 H LYS A 44 7.538 9.599 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 44 6.331 7.114 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.258 7.915 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.840 6.261 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.266 8.240 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.990 6.869 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.700 6.583 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.385 6.524 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.745 4.635 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.035 4.667 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.535 2.983 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.537 4.177 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.194 4.146 -5.881 1.00 0.00 H new ATOM 702 N PHE A 45 5.348 8.608 -0.802 1.00 0.00 N ATOM 703 CA PHE A 45 4.302 8.610 0.213 1.00 0.00 C ATOM 704 C PHE A 45 2.920 8.527 -0.420 1.00 0.00 C ATOM 705 O PHE A 45 2.039 7.825 0.078 1.00 0.00 O ATOM 706 CB PHE A 45 4.398 9.871 1.075 1.00 0.00 C ATOM 707 CG PHE A 45 3.534 9.833 2.304 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.261 10.382 2.290 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.994 9.248 3.474 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.466 10.347 3.420 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.200 9.212 4.605 1.00 0.00 C ATOM 712 CZ PHE A 45 1.934 9.762 4.577 1.00 0.00 C ATOM 0 H PHE A 45 5.911 9.458 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 45 4.448 7.731 0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.436 10.016 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.118 10.734 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.887 10.842 1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.983 8.816 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.476 10.779 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.570 8.754 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.312 9.734 5.459 1.00 0.00 H new ATOM 722 N LYS A 46 2.733 9.249 -1.521 1.00 0.00 N ATOM 723 CA LYS A 46 1.488 9.185 -2.278 1.00 0.00 C ATOM 724 C LYS A 46 1.252 7.786 -2.830 1.00 0.00 C ATOM 725 O LYS A 46 0.136 7.268 -2.774 1.00 0.00 O ATOM 726 CB LYS A 46 1.502 10.207 -3.416 1.00 0.00 C ATOM 727 CG LYS A 46 0.223 10.243 -4.243 1.00 0.00 C ATOM 728 CD LYS A 46 0.290 11.320 -5.316 1.00 0.00 C ATOM 729 CE LYS A 46 -0.976 11.340 -6.160 1.00 0.00 C ATOM 730 NZ LYS A 46 -0.922 12.383 -7.219 1.00 0.00 N ATOM 0 H LYS A 46 3.429 9.886 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 46 0.670 9.424 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.677 11.198 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.341 9.987 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.061 9.271 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.630 10.429 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.433 12.294 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.154 11.144 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.120 10.363 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.838 11.520 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.803 12.363 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.810 13.319 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.115 12.197 -7.848 1.00 0.00 H new ATOM 744 N GLU A 47 2.305 7.180 -3.363 1.00 0.00 N ATOM 745 CA GLU A 47 2.203 5.857 -3.970 1.00 0.00 C ATOM 746 C GLU A 47 1.708 4.827 -2.963 1.00 0.00 C ATOM 747 O GLU A 47 0.817 4.031 -3.261 1.00 0.00 O ATOM 748 CB GLU A 47 3.558 5.423 -4.535 1.00 0.00 C ATOM 749 CG GLU A 47 3.987 6.174 -5.787 1.00 0.00 C ATOM 750 CD GLU A 47 5.330 5.737 -6.299 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.927 4.881 -5.692 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.762 6.260 -7.301 1.00 0.00 O ATOM 0 H GLU A 47 3.242 7.583 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 47 1.480 5.918 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.319 5.559 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.519 4.357 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.240 6.026 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.016 7.242 -5.572 1.00 0.00 H new ATOM 759 N ILE A 48 2.291 4.846 -1.769 1.00 0.00 N ATOM 760 CA ILE A 48 1.934 3.892 -0.727 1.00 0.00 C ATOM 761 C ILE A 48 0.581 4.226 -0.112 1.00 0.00 C ATOM 762 O ILE A 48 -0.095 3.354 0.434 1.00 0.00 O ATOM 763 CB ILE A 48 3.007 3.858 0.377 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.095 5.218 1.076 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.356 3.463 -0.202 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.950 5.209 2.323 1.00 0.00 C ATOM 0 H ILE A 48 3.014 5.513 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 48 1.872 2.909 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 48 2.721 3.109 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.497 5.950 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.089 5.547 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.102 3.444 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.282 2.474 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.652 4.187 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.964 6.207 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.537 4.502 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.966 4.912 2.065 1.00 0.00 H new ATOM 778 N SER A 49 0.191 5.493 -0.205 1.00 0.00 N ATOM 779 CA SER A 49 -1.122 5.926 0.257 1.00 0.00 C ATOM 780 C SER A 49 -2.224 5.425 -0.667 1.00 0.00 C ATOM 781 O SER A 49 -3.299 5.036 -0.211 1.00 0.00 O ATOM 782 CB SER A 49 -1.171 7.439 0.344 1.00 0.00 C ATOM 783 OG SER A 49 -0.326 7.913 1.356 1.00 0.00 O ATOM 0 H SER A 49 0.767 6.238 -0.597 1.00 0.00 H new ATOM 0 HA SER A 49 -1.287 5.501 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.876 7.871 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.194 7.762 0.538 1.00 0.00 H new ATOM 0 HG SER A 49 0.555 8.117 0.978 1.00 0.00 H new ATOM 789 N GLU A 50 -1.951 5.438 -1.966 1.00 0.00 N ATOM 790 CA GLU A 50 -2.830 4.802 -2.940 1.00 0.00 C ATOM 791 C GLU A 50 -2.900 3.296 -2.720 1.00 0.00 C ATOM 792 O GLU A 50 -3.979 2.703 -2.758 1.00 0.00 O ATOM 793 CB GLU A 50 -2.353 5.097 -4.364 1.00 0.00 C ATOM 794 CG GLU A 50 -2.635 6.515 -4.841 1.00 0.00 C ATOM 795 CD GLU A 50 -2.147 6.769 -6.239 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.445 5.939 -6.764 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.477 7.797 -6.784 1.00 0.00 O ATOM 0 H GLU A 50 -1.127 5.883 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.829 5.216 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.280 4.915 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.831 4.395 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.708 6.701 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.160 7.223 -4.162 1.00 0.00 H new ATOM 804 N ALA A 51 -1.744 2.683 -2.491 1.00 0.00 N ATOM 805 CA ALA A 51 -1.681 1.260 -2.180 1.00 0.00 C ATOM 806 C ALA A 51 -2.510 0.928 -0.945 1.00 0.00 C ATOM 807 O ALA A 51 -3.241 -0.062 -0.925 1.00 0.00 O ATOM 808 CB ALA A 51 -0.235 0.826 -1.978 1.00 0.00 C ATOM 0 H ALA A 51 -0.837 3.150 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.100 0.712 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.204 -0.239 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.333 1.016 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.202 1.390 -1.154 1.00 0.00 H new ATOM 814 N PHE A 52 -2.391 1.762 0.082 1.00 0.00 N ATOM 815 CA PHE A 52 -3.158 1.579 1.309 1.00 0.00 C ATOM 816 C PHE A 52 -4.657 1.624 1.033 1.00 0.00 C ATOM 817 O PHE A 52 -5.378 0.665 1.309 1.00 0.00 O ATOM 818 CB PHE A 52 -2.790 2.654 2.334 1.00 0.00 C ATOM 819 CG PHE A 52 -3.669 2.655 3.553 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.685 1.569 4.416 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.483 3.741 3.837 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.494 1.569 5.537 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.292 3.745 4.957 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.297 2.658 5.807 1.00 0.00 C ATOM 0 H PHE A 52 -1.771 2.572 0.089 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.910 0.597 1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.755 2.509 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.845 3.632 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.058 0.714 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.485 4.594 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.497 0.717 6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.920 4.598 5.167 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.929 2.660 6.683 1.00 0.00 H new ATOM 834 N GLU A 53 -5.118 2.744 0.489 1.00 0.00 N ATOM 835 CA GLU A 53 -6.543 2.955 0.261 1.00 0.00 C ATOM 836 C GLU A 53 -7.145 1.815 -0.549 1.00 0.00 C ATOM 837 O GLU A 53 -8.177 1.254 -0.180 1.00 0.00 O ATOM 838 CB GLU A 53 -6.778 4.284 -0.458 1.00 0.00 C ATOM 839 CG GLU A 53 -8.238 4.582 -0.767 1.00 0.00 C ATOM 840 CD GLU A 53 -8.426 5.872 -1.519 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.486 6.620 -1.618 1.00 0.00 O ATOM 842 OE2 GLU A 53 -9.514 6.107 -1.992 1.00 0.00 O ATOM 0 H GLU A 53 -4.525 3.521 0.197 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.035 2.983 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.377 5.091 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.215 4.283 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.655 3.762 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.800 4.626 0.166 1.00 0.00 H new ATOM 849 N ILE A 54 -6.496 1.475 -1.657 1.00 0.00 N ATOM 850 CA ILE A 54 -7.000 0.442 -2.555 1.00 0.00 C ATOM 851 C ILE A 54 -7.038 -0.916 -1.867 1.00 0.00 C ATOM 852 O ILE A 54 -7.992 -1.676 -2.026 1.00 0.00 O ATOM 853 CB ILE A 54 -6.136 0.349 -3.826 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.295 1.615 -4.673 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.505 -0.886 -4.633 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.254 1.756 -5.761 1.00 0.00 C ATOM 0 H ILE A 54 -5.618 1.900 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.016 0.723 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.091 0.263 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.285 1.614 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.245 2.486 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.884 -0.935 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.341 -1.778 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.554 -0.831 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.432 2.676 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.261 1.790 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.318 0.904 -6.438 1.00 0.00 H new ATOM 868 N LEU A 55 -5.994 -1.215 -1.100 1.00 0.00 N ATOM 869 CA LEU A 55 -5.864 -2.517 -0.459 1.00 0.00 C ATOM 870 C LEU A 55 -6.543 -2.528 0.906 1.00 0.00 C ATOM 871 O LEU A 55 -6.721 -3.586 1.512 1.00 0.00 O ATOM 872 CB LEU A 55 -4.383 -2.885 -0.302 1.00 0.00 C ATOM 873 CG LEU A 55 -3.592 -3.029 -1.608 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.132 -3.318 -1.289 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.199 -4.143 -2.449 1.00 0.00 C ATOM 0 H LEU A 55 -5.226 -0.572 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.355 -3.254 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.901 -2.123 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.317 -3.824 0.247 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.642 -2.101 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.570 -3.420 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.718 -2.497 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.061 -4.244 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.637 -4.246 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.158 -5.081 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.237 -3.902 -2.678 1.00 0.00 H new ATOM 887 N ASN A 56 -6.921 -1.348 1.383 1.00 0.00 N ATOM 888 CA ASN A 56 -7.654 -1.228 2.638 1.00 0.00 C ATOM 889 C ASN A 56 -9.125 -1.574 2.451 1.00 0.00 C ATOM 890 O ASN A 56 -9.671 -2.417 3.163 1.00 0.00 O ATOM 891 CB ASN A 56 -7.501 0.168 3.214 1.00 0.00 C ATOM 892 CG ASN A 56 -8.175 0.318 4.549 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.873 -0.417 5.497 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.082 1.257 4.644 1.00 0.00 N ATOM 0 H ASN A 56 -6.732 -0.459 0.919 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.230 -1.942 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.441 0.400 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.919 0.893 2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.572 1.406 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.299 1.840 3.836 1.00 0.00 H new ATOM 901 N ASP A 57 -9.764 -0.917 1.488 1.00 0.00 N ATOM 902 CA ASP A 57 -11.135 -1.248 1.115 1.00 0.00 C ATOM 903 C ASP A 57 -11.219 -2.642 0.508 1.00 0.00 C ATOM 904 O ASP A 57 -10.654 -2.902 -0.554 1.00 0.00 O ATOM 905 CB ASP A 57 -11.685 -0.219 0.125 1.00 0.00 C ATOM 906 CG ASP A 57 -13.150 -0.449 -0.216 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.646 -1.512 0.069 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.760 0.443 -0.758 1.00 0.00 O ATOM 0 H ASP A 57 -9.354 -0.152 0.952 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.738 -1.230 2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.567 0.780 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.095 -0.252 -0.791 1.00 0.00 H new ATOM 913 N PRO A 58 -11.930 -3.537 1.187 1.00 0.00 N ATOM 914 CA PRO A 58 -12.046 -4.919 0.742 1.00 0.00 C ATOM 915 C PRO A 58 -12.500 -4.996 -0.710 1.00 0.00 C ATOM 916 O PRO A 58 -12.067 -5.869 -1.461 1.00 0.00 O ATOM 917 CB PRO A 58 -13.097 -5.500 1.695 1.00 0.00 C ATOM 918 CG PRO A 58 -12.906 -4.735 2.960 1.00 0.00 C ATOM 919 CD PRO A 58 -12.607 -3.331 2.508 1.00 0.00 C ATOM 0 HA PRO A 58 -11.101 -5.462 0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.105 -5.373 1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.947 -6.569 1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.799 -4.770 3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.088 -5.144 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.516 -2.738 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.962 -2.809 3.215 1.00 0.00 H new ATOM 927 N GLN A 59 -13.376 -4.075 -1.100 1.00 0.00 N ATOM 928 CA GLN A 59 -13.923 -4.063 -2.451 1.00 0.00 C ATOM 929 C GLN A 59 -12.856 -3.695 -3.473 1.00 0.00 C ATOM 930 O GLN A 59 -12.722 -4.349 -4.507 1.00 0.00 O ATOM 931 CB GLN A 59 -15.096 -3.084 -2.546 1.00 0.00 C ATOM 932 CG GLN A 59 -16.334 -3.518 -1.780 1.00 0.00 C ATOM 933 CD GLN A 59 -17.446 -2.489 -1.845 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.225 -1.340 -2.238 1.00 0.00 O ATOM 935 NE2 GLN A 59 -18.651 -2.896 -1.461 1.00 0.00 N ATOM 0 H GLN A 59 -13.722 -3.327 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.280 -5.069 -2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.774 -2.112 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -15.360 -2.951 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.694 -4.464 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.069 -3.697 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.788 -3.856 -1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.439 -2.249 -1.484 1.00 0.00 H new ATOM 944 N LYS A 60 -12.095 -2.646 -3.177 1.00 0.00 N ATOM 945 CA LYS A 60 -11.031 -2.196 -4.065 1.00 0.00 C ATOM 946 C LYS A 60 -9.887 -3.201 -4.108 1.00 0.00 C ATOM 947 O LYS A 60 -9.271 -3.411 -5.153 1.00 0.00 O ATOM 948 CB LYS A 60 -10.512 -0.826 -3.628 1.00 0.00 C ATOM 949 CG LYS A 60 -11.492 0.319 -3.850 1.00 0.00 C ATOM 950 CD LYS A 60 -10.908 1.644 -3.383 1.00 0.00 C ATOM 951 CE LYS A 60 -11.887 2.789 -3.603 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.337 4.088 -3.133 1.00 0.00 N ATOM 0 H LYS A 60 -12.196 -2.091 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.448 -2.112 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.256 -0.869 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.591 -0.610 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.746 0.384 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.418 0.117 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.653 1.579 -2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.982 1.846 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.130 2.860 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.818 2.577 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.034 4.841 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.129 4.029 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.463 4.303 -3.653 1.00 0.00 H new ATOM 966 N ARG A 61 -9.607 -3.819 -2.965 1.00 0.00 N ATOM 967 CA ARG A 61 -8.564 -4.834 -2.881 1.00 0.00 C ATOM 968 C ARG A 61 -8.882 -6.027 -3.773 1.00 0.00 C ATOM 969 O ARG A 61 -8.027 -6.500 -4.522 1.00 0.00 O ATOM 970 CB ARG A 61 -8.396 -5.310 -1.444 1.00 0.00 C ATOM 971 CG ARG A 61 -7.320 -6.366 -1.242 1.00 0.00 C ATOM 972 CD ARG A 61 -7.324 -6.893 0.147 1.00 0.00 C ATOM 973 NE ARG A 61 -8.634 -7.387 0.537 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.244 -8.453 -0.016 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.652 -9.125 -0.977 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.441 -8.824 0.410 1.00 0.00 N ATOM 0 H ARG A 61 -10.088 -3.634 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.635 -4.378 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.163 -4.450 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.348 -5.710 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.478 -7.186 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.343 -5.938 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.593 -7.697 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.014 -6.106 0.834 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.126 -6.892 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.729 -8.840 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.115 -9.932 -1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.901 -8.303 1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.904 -9.631 -0.008 1.00 0.00 H new ATOM 990 N GLU A 62 -10.118 -6.510 -3.689 1.00 0.00 N ATOM 991 CA GLU A 62 -10.555 -7.639 -4.500 1.00 0.00 C ATOM 992 C GLU A 62 -10.485 -7.311 -5.986 1.00 0.00 C ATOM 993 O GLU A 62 -10.124 -8.158 -6.802 1.00 0.00 O ATOM 994 CB GLU A 62 -11.982 -8.045 -4.123 1.00 0.00 C ATOM 995 CG GLU A 62 -12.100 -8.770 -2.790 1.00 0.00 C ATOM 996 CD GLU A 62 -11.516 -10.155 -2.826 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.635 -10.804 -3.837 1.00 0.00 O ATOM 998 OE2 GLU A 62 -10.953 -10.566 -1.838 1.00 0.00 O ATOM 0 H GLU A 62 -10.834 -6.136 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.881 -8.472 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.605 -7.151 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.383 -8.686 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.595 -8.188 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.151 -8.831 -2.507 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.833 -6.076 -6.330 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.699 -5.597 -7.701 1.00 0.00 C ATOM 1007 C ILE A 63 -9.245 -5.624 -8.154 1.00 0.00 C ATOM 1008 O ILE A 63 -8.928 -6.129 -9.231 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.255 -4.168 -7.840 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.775 -4.168 -7.667 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.868 -3.575 -9.186 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.371 -2.788 -7.494 1.00 0.00 C ATOM 0 H ILE A 63 -11.210 -5.388 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.277 -6.267 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.820 -3.549 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.230 -4.644 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.032 -4.776 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.269 -2.565 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.782 -3.542 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.275 -4.193 -9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.452 -2.870 -7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.945 -2.316 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.146 -2.182 -8.372 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.362 -5.076 -7.325 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.934 -5.069 -7.622 1.00 0.00 C ATOM 1026 C TYR A 64 -6.396 -6.485 -7.774 1.00 0.00 C ATOM 1027 O TYR A 64 -5.694 -6.793 -8.738 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.165 -4.322 -6.529 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.665 -4.335 -6.723 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.083 -3.518 -7.681 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.871 -5.163 -5.944 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.712 -3.529 -7.857 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.501 -5.175 -6.120 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.922 -4.361 -7.072 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.558 -4.372 -7.249 1.00 0.00 O ATOM 0 H TYR A 64 -8.611 -4.631 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.791 -4.551 -8.570 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.509 -3.288 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.401 -4.767 -5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.701 -2.874 -8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.324 -5.799 -5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.256 -2.893 -8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.884 -5.821 -5.513 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.348 -4.165 -8.183 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.727 -7.345 -6.817 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.198 -8.703 -6.789 1.00 0.00 C ATOM 1047 C ASP A 65 -6.666 -9.501 -7.998 1.00 0.00 C ATOM 1048 O ASP A 65 -5.950 -10.369 -8.496 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.620 -9.417 -5.502 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.988 -8.814 -4.255 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.032 -8.087 -4.389 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.468 -9.085 -3.181 1.00 0.00 O ATOM 0 H ASP A 65 -7.361 -7.125 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.111 -8.635 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.705 -9.376 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.345 -10.470 -5.570 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.873 -9.203 -8.466 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.482 -9.962 -9.553 1.00 0.00 C ATOM 1059 C GLN A 66 -8.437 -9.183 -10.860 1.00 0.00 C ATOM 1060 O GLN A 66 -7.734 -9.563 -11.798 1.00 0.00 O ATOM 1061 CB GLN A 66 -9.931 -10.322 -9.208 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.072 -11.275 -8.034 1.00 0.00 C ATOM 1063 CD GLN A 66 -9.452 -12.631 -8.309 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -9.707 -13.245 -9.350 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -8.633 -13.107 -7.380 1.00 0.00 N ATOM 0 H GLN A 66 -8.450 -8.441 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.908 -10.880 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.478 -9.406 -8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.401 -10.770 -10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.601 -10.835 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.129 -11.403 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.451 -12.566 -6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.186 -14.014 -7.511 1.00 0.00 H new ATOM 1074 N TYR A 67 -9.192 -8.090 -10.919 1.00 0.00 N ATOM 1075 CA TYR A 67 -9.394 -7.365 -12.168 1.00 0.00 C ATOM 1076 C TYR A 67 -8.126 -6.633 -12.590 1.00 0.00 C ATOM 1077 O TYR A 67 -7.784 -6.596 -13.772 1.00 0.00 O ATOM 1078 CB TYR A 67 -10.556 -6.378 -12.031 1.00 0.00 C ATOM 1079 CG TYR A 67 -11.907 -7.042 -11.897 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -12.253 -8.088 -12.739 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -12.801 -6.604 -10.931 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -13.489 -8.694 -12.617 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -14.036 -7.211 -10.807 1.00 0.00 C ATOM 1084 CZ TYR A 67 -14.381 -8.251 -11.646 1.00 0.00 C ATOM 1085 OH TYR A 67 -15.611 -8.857 -11.523 1.00 0.00 O ATOM 0 H TYR A 67 -9.674 -7.687 -10.115 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.639 -8.092 -12.942 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -10.384 -5.747 -11.159 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -10.568 -5.722 -12.902 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.556 -8.429 -13.490 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.532 -5.789 -10.276 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.761 -9.508 -13.273 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.731 -6.872 -10.054 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.542 -9.796 -11.796 1.00 0.00 H new ATOM 1095 N GLY A 68 -7.432 -6.052 -11.617 1.00 0.00 N ATOM 1096 CA GLY A 68 -6.182 -5.350 -11.882 1.00 0.00 C ATOM 1097 C GLY A 68 -6.224 -3.925 -11.344 1.00 0.00 C ATOM 1098 O GLY A 68 -7.253 -3.473 -10.842 1.00 0.00 O ATOM 0 H GLY A 68 -7.715 -6.054 -10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.354 -5.890 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.994 -5.331 -12.955 1.00 0.00 H new ATOM 1102 N LEU A 69 -5.102 -3.224 -11.453 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.969 -1.896 -10.866 1.00 0.00 C ATOM 1104 C LEU A 69 -5.856 -0.885 -11.582 1.00 0.00 C ATOM 1105 O LEU A 69 -6.552 -0.094 -10.943 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.508 -1.434 -10.925 1.00 0.00 C ATOM 1107 CG LEU A 69 -3.224 -0.045 -10.337 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.659 -0.013 -8.878 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.742 0.270 -10.473 1.00 0.00 C ATOM 0 H LEU A 69 -4.270 -3.553 -11.943 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.288 -1.958 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.894 -2.164 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.186 -1.440 -11.966 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.788 0.713 -10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.458 0.973 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.726 -0.224 -8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.105 -0.765 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.540 1.256 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.160 -0.478 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.463 0.258 -11.527 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.828 -0.917 -12.910 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.613 0.011 -13.715 1.00 0.00 C ATOM 1123 C GLU A 70 -8.059 0.066 -13.239 1.00 0.00 C ATOM 1124 O GLU A 70 -8.620 1.145 -13.049 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.567 -0.391 -15.190 1.00 0.00 C ATOM 1126 CG GLU A 70 -7.331 0.539 -16.121 1.00 0.00 C ATOM 1127 CD GLU A 70 -7.247 0.124 -17.563 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -6.601 -0.858 -17.842 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.828 0.789 -18.387 1.00 0.00 O ATOM 0 H GLU A 70 -5.269 -1.576 -13.452 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.176 1.003 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.526 -0.431 -15.511 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.970 -1.398 -15.292 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.377 0.569 -15.817 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.940 1.551 -16.016 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.658 -1.105 -13.049 1.00 0.00 N ATOM 1137 CA ALA A 71 -10.034 -1.193 -12.573 1.00 0.00 C ATOM 1138 C ALA A 71 -10.165 -0.637 -11.161 1.00 0.00 C ATOM 1139 O ALA A 71 -11.124 0.069 -10.848 1.00 0.00 O ATOM 1140 CB ALA A 71 -10.520 -2.634 -12.622 1.00 0.00 C ATOM 0 H ALA A 71 -8.212 -2.007 -13.217 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.657 -0.588 -13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.548 -2.684 -12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.475 -2.998 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.885 -3.254 -11.989 1.00 0.00 H new ATOM 1146 N ALA A 72 -9.197 -0.959 -10.310 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.210 -0.504 -8.926 1.00 0.00 C ATOM 1148 C ALA A 72 -9.124 1.014 -8.844 1.00 0.00 C ATOM 1149 O ALA A 72 -9.770 1.637 -8.001 1.00 0.00 O ATOM 1150 CB ALA A 72 -8.067 -1.141 -8.148 1.00 0.00 C ATOM 0 H ALA A 72 -8.392 -1.535 -10.556 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.156 -0.812 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.090 -0.791 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.174 -2.226 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.117 -0.863 -8.604 1.00 0.00 H new ATOM 1156 N ARG A 73 -8.325 1.605 -9.725 1.00 0.00 N ATOM 1157 CA ARG A 73 -8.147 3.052 -9.748 1.00 0.00 C ATOM 1158 C ARG A 73 -9.384 3.751 -10.297 1.00 0.00 C ATOM 1159 O ARG A 73 -9.749 4.835 -9.843 1.00 0.00 O ATOM 1160 CB ARG A 73 -6.938 3.429 -10.594 1.00 0.00 C ATOM 1161 CG ARG A 73 -5.599 2.981 -10.029 1.00 0.00 C ATOM 1162 CD ARG A 73 -4.464 3.471 -10.853 1.00 0.00 C ATOM 1163 NE ARG A 73 -4.256 4.902 -10.694 1.00 0.00 N ATOM 1164 CZ ARG A 73 -3.507 5.460 -9.724 1.00 0.00 C ATOM 1165 NH1 ARG A 73 -2.903 4.700 -8.838 1.00 0.00 N ATOM 1166 NH2 ARG A 73 -3.378 6.774 -9.663 1.00 0.00 N ATOM 0 H ARG A 73 -7.790 1.104 -10.434 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.987 3.378 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.059 2.998 -11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.921 4.512 -10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.493 3.349 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.570 1.892 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.555 2.939 -10.572 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.654 3.246 -11.903 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.708 5.525 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.001 3.686 -8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.336 5.124 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.846 7.365 -10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.811 7.197 -8.928 1.00 0.00 H new ATOM 1180 N SER A 74 -10.026 3.123 -11.276 1.00 0.00 N ATOM 1181 CA SER A 74 -11.233 3.677 -11.878 1.00 0.00 C ATOM 1182 C SER A 74 -12.437 3.496 -10.961 1.00 0.00 C ATOM 1183 O SER A 74 -13.416 4.238 -11.052 1.00 0.00 O ATOM 1184 CB SER A 74 -11.501 3.013 -13.216 1.00 0.00 C ATOM 1185 OG SER A 74 -11.882 1.676 -13.046 1.00 0.00 O ATOM 0 H SER A 74 -9.731 2.230 -11.670 1.00 0.00 H new ATOM 0 HA SER A 74 -11.075 4.745 -12.029 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.286 3.554 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.606 3.064 -13.837 1.00 0.00 H new ATOM 0 HG SER A 74 -11.485 1.325 -12.222 1.00 0.00 H new ATOM 1191 N GLY A 75 -12.359 2.506 -10.078 1.00 0.00 N ATOM 1192 CA GLY A 75 -13.437 2.232 -9.136 1.00 0.00 C ATOM 1193 C GLY A 75 -14.568 1.457 -9.802 1.00 0.00 C ATOM 1194 O GLY A 75 -15.741 1.791 -9.640 1.00 0.00 O ATOM 0 H GLY A 75 -11.559 1.879 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.050 1.661 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.822 3.170 -8.737 1.00 0.00 H new ATOM 1198 N GLY A 76 -14.206 0.421 -10.550 1.00 0.00 N ATOM 1199 CA GLY A 76 -15.184 -0.369 -11.289 1.00 0.00 C ATOM 1200 C GLY A 76 -15.942 -1.312 -10.363 1.00 0.00 C ATOM 1201 O GLY A 76 -15.797 -1.249 -9.144 1.00 0.00 O ATOM 0 H GLY A 76 -13.241 0.108 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.887 0.295 -11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.679 -0.945 -12.065 1.00 0.00 H new ATOM 1205 N PRO A 77 -16.751 -2.187 -10.952 1.00 0.00 N ATOM 1206 CA PRO A 77 -17.565 -3.118 -10.180 1.00 0.00 C ATOM 1207 C PRO A 77 -16.698 -3.995 -9.285 1.00 0.00 C ATOM 1208 O PRO A 77 -15.633 -4.455 -9.695 1.00 0.00 O ATOM 1209 CB PRO A 77 -18.270 -3.940 -11.264 1.00 0.00 C ATOM 1210 CG PRO A 77 -18.331 -3.023 -12.437 1.00 0.00 C ATOM 1211 CD PRO A 77 -17.026 -2.271 -12.393 1.00 0.00 C ATOM 0 HA PRO A 77 -18.261 -2.624 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.716 -4.849 -11.498 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -19.266 -4.247 -10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -18.439 -3.577 -13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -19.182 -2.346 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -16.236 -2.800 -12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.112 -1.284 -12.847 1.00 0.00 H new ATOM 1219 N SER A 78 -17.161 -4.220 -8.060 1.00 0.00 N ATOM 1220 CA SER A 78 -16.460 -5.092 -7.125 1.00 0.00 C ATOM 1221 C SER A 78 -16.507 -6.544 -7.584 1.00 0.00 C ATOM 1222 O SER A 78 -17.520 -7.007 -8.108 1.00 0.00 O ATOM 1223 CB SER A 78 -17.069 -4.972 -5.741 1.00 0.00 C ATOM 1224 OG SER A 78 -16.474 -5.873 -4.851 1.00 0.00 O ATOM 0 H SER A 78 -18.019 -3.810 -7.691 1.00 0.00 H new ATOM 0 HA SER A 78 -15.417 -4.777 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.943 -3.954 -5.372 1.00 0.00 H new ATOM 0 HB3 SER A 78 -18.141 -5.162 -5.794 1.00 0.00 H new ATOM 0 HG SER A 78 -16.882 -5.776 -3.965 1.00 0.00 H new ATOM 1230 N PHE A 79 -15.404 -7.258 -7.386 1.00 0.00 N ATOM 1231 CA PHE A 79 -15.325 -8.666 -7.757 1.00 0.00 C ATOM 1232 C PHE A 79 -16.329 -9.500 -6.970 1.00 0.00 C ATOM 1233 O PHE A 79 -16.483 -9.326 -5.762 1.00 0.00 O ATOM 1234 CB PHE A 79 -13.914 -9.202 -7.520 1.00 0.00 C ATOM 1235 CG PHE A 79 -13.757 -10.662 -7.843 1.00 0.00 C ATOM 1236 CD1 PHE A 79 -13.695 -11.093 -9.161 1.00 0.00 C ATOM 1237 CD2 PHE A 79 -13.674 -11.606 -6.832 1.00 0.00 C ATOM 1238 CE1 PHE A 79 -13.551 -12.434 -9.457 1.00 0.00 C ATOM 1239 CE2 PHE A 79 -13.529 -12.948 -7.126 1.00 0.00 C ATOM 1240 CZ PHE A 79 -13.468 -13.362 -8.441 1.00 0.00 C ATOM 0 H PHE A 79 -14.551 -6.884 -6.970 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.566 -8.743 -8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.211 -8.628 -8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.644 -9.039 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.760 -10.372 -9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.723 -11.289 -5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.503 -12.756 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.463 -13.672 -6.328 1.00 0.00 H new ATOM 0 HZ PHE A 79 -13.355 -14.411 -8.674 1.00 0.00 H new ATOM 1250 N GLY A 80 -17.010 -10.406 -7.664 1.00 0.00 N ATOM 1251 CA GLY A 80 -17.967 -11.299 -7.023 1.00 0.00 C ATOM 1252 C GLY A 80 -17.642 -12.758 -7.318 1.00 0.00 C ATOM 1253 O GLY A 80 -17.841 -13.234 -8.436 1.00 0.00 O ATOM 0 H GLY A 80 -16.916 -10.541 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.959 -11.132 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.973 -11.070 -7.373 1.00 0.00 H new ATOM 1257 N PRO A 81 -17.141 -13.464 -6.310 1.00 0.00 N ATOM 1258 CA PRO A 81 -16.805 -14.874 -6.456 1.00 0.00 C ATOM 1259 C PRO A 81 -18.000 -15.678 -6.947 1.00 0.00 C ATOM 1260 O PRO A 81 -18.285 -15.676 -8.115 1.00 0.00 O ATOM 1261 CB PRO A 81 -16.399 -15.279 -5.035 1.00 0.00 C ATOM 1262 CG PRO A 81 -15.892 -14.017 -4.425 1.00 0.00 C ATOM 1263 CD PRO A 81 -16.803 -12.948 -4.968 1.00 0.00 C ATOM 1264 OXT PRO A 81 -18.659 -16.313 -6.171 1.00 0.00 O ATOM 0 HA PRO A 81 -16.021 -15.057 -7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.246 -15.678 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.631 -16.053 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.931 -14.058 -3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.854 -13.832 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.690 -12.818 -4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.306 -11.979 -5.019 1.00 0.00 H new TER 1272 PRO A 81