USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 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 5 TYR OH : rot 100:sc= -0.0662 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.925 K(o=-0.99,f=-3.8!) USER MOD Set 2.1: A 58 ASN : amide:sc= -1.11 K(o=-1.5,f=-6.6!) USER MOD Set 2.2: A 60 GLN : amide:sc= -0.408 X(o=-1.5,f=-1.6) USER MOD Set 3.1: A 18 THR OG1 : rot -170:sc= 0.391 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.517 X(o=-0.13,f=-0.23) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 107:sc= 0.0344 USER MOD Single : A 6 SER OG : rot -51:sc= 0.517 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 3.01 (180deg=2.91) USER MOD Single : A 16 CYS SG : rot 140:sc= -0.246 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -146:sc= -0.128 (180deg=-0.802) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -178:sc= -2.51! USER MOD Single : A 34 SER OG : rot 86:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 2.13 (180deg=1.98) USER MOD Single : A 38 ASN : amide:sc= 1.17 K(o=1.2,f=-0.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.16) USER MOD Single : A 65 TYR OH : rot -168:sc= 1.28 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0.122 (180deg=-0.0168) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 17.190 12.945 -4.359 1.00 0.00 N ATOM 2 CA GLY A -1 16.013 12.892 -3.485 1.00 0.00 C ATOM 3 C GLY A -1 15.271 11.589 -3.630 1.00 0.00 C ATOM 4 O GLY A -1 14.900 11.202 -4.741 1.00 0.00 O ATOM 0 H1 GLY A -1 17.676 13.856 -4.232 1.00 0.00 H new ATOM 0 H2 GLY A -1 17.839 12.170 -4.115 1.00 0.00 H new ATOM 0 H3 GLY A -1 16.891 12.847 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A -1 16.323 13.021 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A -1 15.345 13.720 -3.723 1.00 0.00 H new ATOM 8 N SER A 0 15.076 10.901 -2.528 1.00 0.00 N ATOM 9 CA SER A 0 14.349 9.659 -2.517 1.00 0.00 C ATOM 10 C SER A 0 12.861 9.943 -2.370 1.00 0.00 C ATOM 11 O SER A 0 12.491 11.069 -2.016 1.00 0.00 O ATOM 12 CB SER A 0 14.880 8.761 -1.410 1.00 0.00 C ATOM 13 OG SER A 0 16.258 8.458 -1.641 1.00 0.00 O ATOM 0 H SER A 0 15.420 11.191 -1.613 1.00 0.00 H new ATOM 0 HA SER A 0 14.491 9.129 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 0 14.765 9.254 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 0 14.299 7.840 -1.369 1.00 0.00 H new ATOM 0 HG SER A 0 16.591 7.881 -0.922 1.00 0.00 H new ATOM 19 N MET A 1 12.030 8.927 -2.614 1.00 0.00 N ATOM 20 CA MET A 1 10.573 9.069 -2.685 1.00 0.00 C ATOM 21 C MET A 1 10.243 9.934 -3.875 1.00 0.00 C ATOM 22 O MET A 1 9.884 11.108 -3.730 1.00 0.00 O ATOM 23 CB MET A 1 9.920 9.626 -1.394 1.00 0.00 C ATOM 24 CG MET A 1 10.114 8.762 -0.167 1.00 0.00 C ATOM 25 SD MET A 1 9.287 9.431 1.290 1.00 0.00 S ATOM 26 CE MET A 1 9.768 8.216 2.514 1.00 0.00 C ATOM 0 H MET A 1 12.353 7.972 -2.770 1.00 0.00 H new ATOM 0 HA MET A 1 10.150 8.070 -2.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.329 10.616 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.851 9.752 -1.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.734 7.761 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.180 8.663 0.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.337 8.482 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.405 7.233 2.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.855 8.192 2.596 1.00 0.00 H new ATOM 36 N SER A 2 10.446 9.346 -5.059 1.00 0.00 N ATOM 37 CA SER A 2 10.321 10.030 -6.336 1.00 0.00 C ATOM 38 C SER A 2 9.042 10.830 -6.458 1.00 0.00 C ATOM 39 O SER A 2 9.054 12.060 -6.337 1.00 0.00 O ATOM 40 CB SER A 2 10.485 9.039 -7.489 1.00 0.00 C ATOM 41 OG SER A 2 11.756 8.382 -7.410 1.00 0.00 O ATOM 0 H SER A 2 10.706 8.364 -5.151 1.00 0.00 H new ATOM 0 HA SER A 2 11.128 10.760 -6.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.685 8.300 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.398 9.562 -8.441 1.00 0.00 H new ATOM 0 HG SER A 2 11.844 7.750 -8.154 1.00 0.00 H new ATOM 47 N TYR A 3 7.948 10.174 -6.653 1.00 0.00 N ATOM 48 CA TYR A 3 6.727 10.880 -6.768 1.00 0.00 C ATOM 49 C TYR A 3 5.748 10.532 -5.710 1.00 0.00 C ATOM 50 O TYR A 3 4.854 9.705 -5.873 1.00 0.00 O ATOM 51 CB TYR A 3 6.144 10.942 -8.182 1.00 0.00 C ATOM 52 CG TYR A 3 7.057 11.702 -9.124 1.00 0.00 C ATOM 53 CD1 TYR A 3 7.593 11.101 -10.236 1.00 0.00 C ATOM 54 CD2 TYR A 3 7.425 13.016 -8.851 1.00 0.00 C ATOM 55 CE1 TYR A 3 8.476 11.773 -11.058 1.00 0.00 C ATOM 56 CE2 TYR A 3 8.296 13.697 -9.668 1.00 0.00 C ATOM 57 CZ TYR A 3 8.822 13.069 -10.767 1.00 0.00 C ATOM 58 OH TYR A 3 9.721 13.733 -11.572 1.00 0.00 O ATOM 0 H TYR A 3 7.878 9.160 -6.735 1.00 0.00 H new ATOM 0 HA TYR A 3 6.994 11.919 -6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.991 9.931 -8.559 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.166 11.423 -8.153 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.319 10.083 -10.472 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.019 13.510 -7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.892 11.282 -11.925 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.564 14.719 -9.446 1.00 0.00 H new ATOM 0 HH TYR A 3 9.247 14.400 -12.112 1.00 0.00 H new ATOM 68 N ASP A 4 6.008 11.126 -4.585 1.00 0.00 N ATOM 69 CA ASP A 4 5.131 11.123 -3.432 1.00 0.00 C ATOM 70 C ASP A 4 4.243 12.348 -3.573 1.00 0.00 C ATOM 71 O ASP A 4 3.323 12.588 -2.793 1.00 0.00 O ATOM 72 CB ASP A 4 5.979 11.196 -2.142 1.00 0.00 C ATOM 73 CG ASP A 4 5.174 11.362 -0.859 1.00 0.00 C ATOM 74 OD1 ASP A 4 4.595 10.363 -0.351 1.00 0.00 O ATOM 75 OD2 ASP A 4 5.141 12.489 -0.310 1.00 0.00 O ATOM 0 H ASP A 4 6.869 11.650 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 4 4.528 10.217 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.577 10.288 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.676 12.030 -2.228 1.00 0.00 H new ATOM 80 N TYR A 5 4.568 13.123 -4.623 1.00 0.00 N ATOM 81 CA TYR A 5 3.887 14.334 -5.023 1.00 0.00 C ATOM 82 C TYR A 5 4.133 15.417 -4.008 1.00 0.00 C ATOM 83 O TYR A 5 3.399 16.378 -3.944 1.00 0.00 O ATOM 84 CB TYR A 5 2.374 14.110 -5.240 1.00 0.00 C ATOM 85 CG TYR A 5 2.043 12.996 -6.211 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.587 11.771 -5.748 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.198 13.159 -7.581 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.295 10.746 -6.613 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.903 12.131 -8.455 1.00 0.00 C ATOM 90 CZ TYR A 5 1.451 10.928 -7.959 1.00 0.00 C ATOM 91 OH TYR A 5 1.159 9.899 -8.813 1.00 0.00 O ATOM 0 H TYR A 5 5.352 12.898 -5.235 1.00 0.00 H new ATOM 0 HA TYR A 5 4.296 14.646 -5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.910 13.889 -4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.930 15.037 -5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.459 11.620 -4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.554 14.102 -7.968 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.943 9.799 -6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.026 12.269 -9.519 1.00 0.00 H new ATOM 0 HH TYR A 5 0.270 10.038 -9.201 1.00 0.00 H new ATOM 101 N SER A 6 5.234 15.291 -3.280 1.00 0.00 N ATOM 102 CA SER A 6 5.594 16.215 -2.219 1.00 0.00 C ATOM 103 C SER A 6 5.712 17.651 -2.774 1.00 0.00 C ATOM 104 O SER A 6 5.226 18.604 -2.164 1.00 0.00 O ATOM 105 CB SER A 6 6.920 15.756 -1.626 1.00 0.00 C ATOM 106 OG SER A 6 6.920 14.335 -1.448 1.00 0.00 O ATOM 0 H SER A 6 5.907 14.536 -3.412 1.00 0.00 H new ATOM 0 HA SER A 6 4.824 16.223 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.740 16.047 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.088 16.249 -0.669 1.00 0.00 H new ATOM 0 HG SER A 6 6.111 14.066 -0.964 1.00 0.00 H new ATOM 112 N SER A 7 6.300 17.768 -3.965 1.00 0.00 N ATOM 113 CA SER A 7 6.469 19.042 -4.650 1.00 0.00 C ATOM 114 C SER A 7 5.100 19.675 -4.971 1.00 0.00 C ATOM 115 O SER A 7 4.930 20.902 -4.938 1.00 0.00 O ATOM 116 CB SER A 7 7.239 18.785 -5.943 1.00 0.00 C ATOM 117 OG SER A 7 8.422 18.033 -5.672 1.00 0.00 O ATOM 0 H SER A 7 6.674 16.973 -4.482 1.00 0.00 H new ATOM 0 HA SER A 7 7.016 19.734 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.609 18.243 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.502 19.733 -6.413 1.00 0.00 H new ATOM 0 HG SER A 7 8.907 17.873 -6.509 1.00 0.00 H new ATOM 123 N LEU A 8 4.138 18.823 -5.250 1.00 0.00 N ATOM 124 CA LEU A 8 2.802 19.237 -5.594 1.00 0.00 C ATOM 125 C LEU A 8 2.039 19.577 -4.354 1.00 0.00 C ATOM 126 O LEU A 8 1.456 20.645 -4.256 1.00 0.00 O ATOM 127 CB LEU A 8 2.097 18.121 -6.371 1.00 0.00 C ATOM 128 CG LEU A 8 0.636 18.361 -6.765 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.462 19.690 -7.482 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.144 17.227 -7.632 1.00 0.00 C ATOM 0 H LEU A 8 4.267 17.811 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 8 2.850 20.124 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.666 17.931 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.141 17.212 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 8 0.042 18.400 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.587 19.826 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.779 20.501 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.068 19.697 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.895 17.405 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.754 17.167 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.218 16.289 -7.081 1.00 0.00 H new ATOM 142 N LEU A 9 2.078 18.679 -3.409 1.00 0.00 N ATOM 143 CA LEU A 9 1.405 18.809 -2.171 1.00 0.00 C ATOM 144 C LEU A 9 1.797 20.103 -1.452 1.00 0.00 C ATOM 145 O LEU A 9 0.934 20.820 -0.933 1.00 0.00 O ATOM 146 CB LEU A 9 1.713 17.589 -1.323 1.00 0.00 C ATOM 147 CG LEU A 9 1.125 16.251 -1.791 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.571 15.128 -0.870 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.397 16.314 -1.854 1.00 0.00 C ATOM 0 H LEU A 9 2.602 17.808 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 9 0.331 18.867 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.796 17.481 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.356 17.781 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 9 1.496 16.050 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.146 14.185 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.659 15.061 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.228 15.332 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.787 15.353 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.793 16.542 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.700 17.092 -2.554 1.00 0.00 H new ATOM 161 N GLY A 10 3.088 20.418 -1.468 1.00 0.00 N ATOM 162 CA GLY A 10 3.574 21.645 -0.862 1.00 0.00 C ATOM 163 C GLY A 10 2.992 22.881 -1.524 1.00 0.00 C ATOM 164 O GLY A 10 2.632 23.846 -0.848 1.00 0.00 O ATOM 0 H GLY A 10 3.812 19.840 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.321 21.650 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.661 21.676 -0.930 1.00 0.00 H new ATOM 168 N LYS A 11 2.849 22.821 -2.835 1.00 0.00 N ATOM 169 CA LYS A 11 2.337 23.895 -3.622 1.00 0.00 C ATOM 170 C LYS A 11 0.831 24.019 -3.384 1.00 0.00 C ATOM 171 O LYS A 11 0.280 25.125 -3.327 1.00 0.00 O ATOM 172 CB LYS A 11 2.631 23.567 -5.074 1.00 0.00 C ATOM 173 CG LYS A 11 2.545 24.716 -6.013 1.00 0.00 C ATOM 174 CD LYS A 11 3.686 25.695 -5.785 1.00 0.00 C ATOM 175 CE LYS A 11 3.643 26.856 -6.757 1.00 0.00 C ATOM 176 NZ LYS A 11 4.805 27.750 -6.577 1.00 0.00 N ATOM 0 H LYS A 11 3.096 21.997 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 11 2.799 24.845 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.632 23.141 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.935 22.796 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.573 24.353 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.591 25.227 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.639 26.075 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.637 25.173 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.628 26.477 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.722 27.420 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.747 28.535 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.804 28.129 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.682 27.216 -6.739 1.00 0.00 H new ATOM 190 N ILE A 12 0.173 22.875 -3.237 1.00 0.00 N ATOM 191 CA ILE A 12 -1.243 22.821 -2.909 1.00 0.00 C ATOM 192 C ILE A 12 -1.468 23.469 -1.558 1.00 0.00 C ATOM 193 O ILE A 12 -2.412 24.220 -1.376 1.00 0.00 O ATOM 194 CB ILE A 12 -1.776 21.362 -2.889 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.667 20.745 -4.284 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.220 21.306 -2.386 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.109 19.306 -4.355 1.00 0.00 C ATOM 0 H ILE A 12 0.609 21.959 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.791 23.361 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.163 20.784 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.267 21.333 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.632 20.813 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.565 20.272 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.268 21.707 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.857 21.899 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.001 18.942 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.493 18.703 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.153 19.231 -4.051 1.00 0.00 H new ATOM 209 N THR A 13 -0.557 23.219 -0.643 1.00 0.00 N ATOM 210 CA THR A 13 -0.603 23.784 0.696 1.00 0.00 C ATOM 211 C THR A 13 -0.569 25.313 0.621 1.00 0.00 C ATOM 212 O THR A 13 -1.217 26.004 1.393 1.00 0.00 O ATOM 213 CB THR A 13 0.611 23.306 1.517 1.00 0.00 C ATOM 214 OG1 THR A 13 0.680 21.857 1.491 1.00 0.00 O ATOM 215 CG2 THR A 13 0.507 23.770 2.966 1.00 0.00 C ATOM 0 H THR A 13 0.246 22.612 -0.805 1.00 0.00 H new ATOM 0 HA THR A 13 -1.525 23.455 1.175 1.00 0.00 H new ATOM 0 HB THR A 13 1.510 23.733 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.991 21.560 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.376 23.420 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.471 24.859 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.400 23.364 3.414 1.00 0.00 H new ATOM 223 N GLU A 14 0.142 25.807 -0.348 1.00 0.00 N ATOM 224 CA GLU A 14 0.322 27.212 -0.538 1.00 0.00 C ATOM 225 C GLU A 14 -0.891 27.885 -1.151 1.00 0.00 C ATOM 226 O GLU A 14 -1.245 29.012 -0.783 1.00 0.00 O ATOM 227 CB GLU A 14 1.498 27.432 -1.422 1.00 0.00 C ATOM 228 CG GLU A 14 2.836 27.129 -0.828 1.00 0.00 C ATOM 229 CD GLU A 14 3.927 27.279 -1.850 1.00 0.00 C ATOM 230 OE1 GLU A 14 4.339 28.411 -2.128 1.00 0.00 O ATOM 231 OE2 GLU A 14 4.388 26.268 -2.409 1.00 0.00 O ATOM 0 H GLU A 14 0.622 25.232 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 14 0.476 27.657 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.374 26.821 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.494 28.473 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.025 27.798 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.841 26.113 -0.433 1.00 0.00 H new ATOM 238 N LYS A 15 -1.530 27.216 -2.070 1.00 0.00 N ATOM 239 CA LYS A 15 -2.593 27.815 -2.793 1.00 0.00 C ATOM 240 C LYS A 15 -3.923 27.516 -2.201 1.00 0.00 C ATOM 241 O LYS A 15 -4.806 28.370 -2.145 1.00 0.00 O ATOM 242 CB LYS A 15 -2.562 27.322 -4.211 1.00 0.00 C ATOM 243 CG LYS A 15 -2.257 28.414 -5.198 1.00 0.00 C ATOM 244 CD LYS A 15 -0.838 28.912 -4.989 1.00 0.00 C ATOM 245 CE LYS A 15 -0.579 30.219 -5.698 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.688 30.115 -7.160 1.00 0.00 N ATOM 0 H LYS A 15 -1.324 26.251 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.451 28.895 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.812 26.536 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.525 26.874 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.376 28.041 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.963 29.236 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.653 29.037 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.135 28.161 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.287 30.966 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.418 30.574 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.533 31.051 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.028 29.449 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.636 29.771 -7.414 1.00 0.00 H new ATOM 260 N CYS A 16 -4.072 26.335 -1.765 1.00 0.00 N ATOM 261 CA CYS A 16 -5.288 25.867 -1.319 1.00 0.00 C ATOM 262 C CYS A 16 -5.204 25.586 0.150 1.00 0.00 C ATOM 263 O CYS A 16 -6.041 26.017 0.921 1.00 0.00 O ATOM 264 CB CYS A 16 -5.590 24.612 -2.099 1.00 0.00 C ATOM 265 SG CYS A 16 -5.741 24.865 -3.884 1.00 0.00 S ATOM 0 H CYS A 16 -3.316 25.652 -1.712 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.082 26.598 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.801 23.883 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.518 24.180 -1.725 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.174 23.878 -4.512 1.00 0.00 H new ATOM 271 N GLY A 17 -4.166 24.914 0.545 1.00 0.00 N ATOM 272 CA GLY A 17 -4.040 24.533 1.892 1.00 0.00 C ATOM 273 C GLY A 17 -3.894 23.065 2.049 1.00 0.00 C ATOM 274 O GLY A 17 -2.870 22.572 2.491 1.00 0.00 O ATOM 0 H GLY A 17 -3.398 24.624 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.175 25.031 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.916 24.870 2.446 1.00 0.00 H new ATOM 278 N THR A 18 -4.901 22.364 1.643 1.00 0.00 N ATOM 279 CA THR A 18 -4.980 20.930 1.839 1.00 0.00 C ATOM 280 C THR A 18 -5.520 20.267 0.585 1.00 0.00 C ATOM 281 O THR A 18 -5.918 20.969 -0.360 1.00 0.00 O ATOM 282 CB THR A 18 -5.941 20.629 3.015 1.00 0.00 C ATOM 283 OG1 THR A 18 -7.264 21.116 2.697 1.00 0.00 O ATOM 284 CG2 THR A 18 -5.457 21.314 4.283 1.00 0.00 C ATOM 0 H THR A 18 -5.706 22.762 1.160 1.00 0.00 H new ATOM 0 HA THR A 18 -3.984 20.543 2.057 1.00 0.00 H new ATOM 0 HB THR A 18 -5.967 19.551 3.175 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.830 21.069 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.143 21.093 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.461 20.950 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.419 22.391 4.123 1.00 0.00 H new ATOM 292 N GLN A 19 -5.571 18.927 0.577 1.00 0.00 N ATOM 293 CA GLN A 19 -6.131 18.183 -0.556 1.00 0.00 C ATOM 294 C GLN A 19 -7.620 18.463 -0.651 1.00 0.00 C ATOM 295 O GLN A 19 -8.200 18.453 -1.728 1.00 0.00 O ATOM 296 CB GLN A 19 -5.927 16.670 -0.405 1.00 0.00 C ATOM 297 CG GLN A 19 -4.482 16.202 -0.371 1.00 0.00 C ATOM 298 CD GLN A 19 -4.382 14.689 -0.243 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.345 14.001 -1.353 1.00 0.00 O flip ATOM 300 NE2 GLN A 19 -4.325 14.143 0.866 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.232 18.340 1.340 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.612 18.511 -1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.417 16.345 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.433 16.169 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.974 16.524 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.967 16.673 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.356 14.708 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.247 13.128 0.931 1.00 0.00 H new ATOM 309 N TYR A 20 -8.215 18.733 0.499 1.00 0.00 N ATOM 310 CA TYR A 20 -9.626 19.044 0.594 1.00 0.00 C ATOM 311 C TYR A 20 -9.890 20.350 -0.086 1.00 0.00 C ATOM 312 O TYR A 20 -10.755 20.458 -0.930 1.00 0.00 O ATOM 313 CB TYR A 20 -10.023 19.178 2.043 1.00 0.00 C ATOM 314 CG TYR A 20 -11.519 19.284 2.255 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.076 20.388 2.884 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.374 18.284 1.810 1.00 0.00 C ATOM 317 CE1 TYR A 20 -13.439 20.487 3.070 1.00 0.00 C ATOM 318 CE2 TYR A 20 -13.735 18.378 1.989 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.263 19.478 2.621 1.00 0.00 C ATOM 320 OH TYR A 20 -15.627 19.572 2.805 1.00 0.00 O ATOM 0 H TYR A 20 -7.728 18.742 1.395 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.198 18.245 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.646 18.317 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.542 20.061 2.463 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.433 21.182 3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.963 17.417 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.858 21.351 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.385 17.591 1.635 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.063 18.779 2.430 1.00 0.00 H new ATOM 330 N ASN A 21 -9.129 21.341 0.304 1.00 0.00 N ATOM 331 CA ASN A 21 -9.250 22.670 -0.273 1.00 0.00 C ATOM 332 C ASN A 21 -8.968 22.636 -1.771 1.00 0.00 C ATOM 333 O ASN A 21 -9.613 23.325 -2.543 1.00 0.00 O ATOM 334 CB ASN A 21 -8.309 23.659 0.386 1.00 0.00 C ATOM 335 CG ASN A 21 -8.573 23.919 1.859 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.689 23.731 2.358 1.00 0.00 O ATOM 337 ND2 ASN A 21 -7.576 24.443 2.540 1.00 0.00 N ATOM 0 H ASN A 21 -8.411 21.258 1.024 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.275 22.997 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.288 23.294 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.369 24.606 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.709 24.710 3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.670 24.582 2.092 1.00 0.00 H new ATOM 344 N PHE A 22 -7.988 21.833 -2.154 1.00 0.00 N ATOM 345 CA PHE A 22 -7.652 21.582 -3.569 1.00 0.00 C ATOM 346 C PHE A 22 -8.888 21.112 -4.300 1.00 0.00 C ATOM 347 O PHE A 22 -9.233 21.617 -5.380 1.00 0.00 O ATOM 348 CB PHE A 22 -6.605 20.482 -3.654 1.00 0.00 C ATOM 349 CG PHE A 22 -6.082 20.206 -5.046 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.474 19.066 -5.732 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.207 21.083 -5.664 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.002 18.805 -7.002 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.731 20.825 -6.936 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.130 19.686 -7.604 1.00 0.00 C ATOM 0 H PHE A 22 -7.393 21.328 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.272 22.501 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.765 20.750 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.032 19.563 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.158 18.373 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.893 21.978 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.315 17.912 -7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.047 21.515 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.759 19.485 -8.598 1.00 0.00 H new ATOM 364 N ALA A 23 -9.526 20.121 -3.703 1.00 0.00 N ATOM 365 CA ALA A 23 -10.782 19.566 -4.202 1.00 0.00 C ATOM 366 C ALA A 23 -11.826 20.674 -4.394 1.00 0.00 C ATOM 367 O ALA A 23 -12.493 20.739 -5.436 1.00 0.00 O ATOM 368 CB ALA A 23 -11.323 18.500 -3.250 1.00 0.00 C ATOM 0 H ALA A 23 -9.189 19.672 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.581 19.101 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.258 18.102 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.596 17.693 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.501 18.944 -2.270 1.00 0.00 H new ATOM 374 N ILE A 24 -11.931 21.552 -3.393 1.00 0.00 N ATOM 375 CA ILE A 24 -12.837 22.693 -3.407 1.00 0.00 C ATOM 376 C ILE A 24 -12.509 23.629 -4.576 1.00 0.00 C ATOM 377 O ILE A 24 -13.392 23.993 -5.357 1.00 0.00 O ATOM 378 CB ILE A 24 -12.703 23.482 -2.089 1.00 0.00 C ATOM 379 CG1 ILE A 24 -12.955 22.569 -0.892 1.00 0.00 C ATOM 380 CG2 ILE A 24 -13.637 24.696 -2.057 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.349 22.005 -0.778 1.00 0.00 C ATOM 0 H ILE A 24 -11.378 21.485 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.855 22.319 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.682 23.858 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.250 21.739 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.733 23.126 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.513 25.226 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.393 25.365 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.670 24.363 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.414 21.372 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.066 22.822 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.576 21.413 -1.665 1.00 0.00 H new ATOM 393 N ALA A 25 -11.232 23.992 -4.689 1.00 0.00 N ATOM 394 CA ALA A 25 -10.743 24.883 -5.741 1.00 0.00 C ATOM 395 C ALA A 25 -11.047 24.314 -7.114 1.00 0.00 C ATOM 396 O ALA A 25 -11.561 25.015 -7.986 1.00 0.00 O ATOM 397 CB ALA A 25 -9.247 25.127 -5.586 1.00 0.00 C ATOM 0 H ALA A 25 -10.503 23.675 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.261 25.837 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.903 25.792 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.052 25.586 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.715 24.178 -5.652 1.00 0.00 H new ATOM 403 N MET A 26 -10.746 23.043 -7.291 1.00 0.00 N ATOM 404 CA MET A 26 -11.039 22.327 -8.534 1.00 0.00 C ATOM 405 C MET A 26 -12.528 22.270 -8.803 1.00 0.00 C ATOM 406 O MET A 26 -12.981 22.505 -9.920 1.00 0.00 O ATOM 407 CB MET A 26 -10.521 20.891 -8.466 1.00 0.00 C ATOM 408 CG MET A 26 -9.084 20.683 -8.870 1.00 0.00 C ATOM 409 SD MET A 26 -8.832 21.005 -10.623 1.00 0.00 S ATOM 410 CE MET A 26 -7.185 20.351 -10.831 1.00 0.00 C ATOM 0 H MET A 26 -10.291 22.470 -6.581 1.00 0.00 H new ATOM 0 HA MET A 26 -10.542 22.874 -9.335 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.646 20.530 -7.445 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.150 20.269 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.442 21.340 -8.283 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.786 19.660 -8.641 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.649 20.944 -11.572 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.654 20.393 -9.880 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.244 19.316 -11.168 1.00 0.00 H new ATOM 420 N GLY A 27 -13.274 21.971 -7.773 1.00 0.00 N ATOM 421 CA GLY A 27 -14.677 21.741 -7.919 1.00 0.00 C ATOM 422 C GLY A 27 -14.891 20.287 -8.221 1.00 0.00 C ATOM 423 O GLY A 27 -15.841 19.900 -8.902 1.00 0.00 O ATOM 0 H GLY A 27 -12.925 21.882 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.204 22.020 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.081 22.358 -8.722 1.00 0.00 H new ATOM 427 N LEU A 28 -13.996 19.491 -7.701 1.00 0.00 N ATOM 428 CA LEU A 28 -13.948 18.088 -7.925 1.00 0.00 C ATOM 429 C LEU A 28 -14.293 17.437 -6.612 1.00 0.00 C ATOM 430 O LEU A 28 -14.166 18.069 -5.558 1.00 0.00 O ATOM 431 CB LEU A 28 -12.521 17.739 -8.331 1.00 0.00 C ATOM 432 CG LEU A 28 -12.287 16.420 -9.048 1.00 0.00 C ATOM 433 CD1 LEU A 28 -13.067 16.365 -10.358 1.00 0.00 C ATOM 434 CD2 LEU A 28 -10.795 16.217 -9.301 1.00 0.00 C ATOM 0 H LEU A 28 -13.254 19.825 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.635 17.756 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.151 18.539 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.907 17.743 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.647 15.613 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.882 15.411 -10.852 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.132 16.467 -10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.744 17.178 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.639 15.269 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.417 17.031 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.263 16.206 -8.350 1.00 0.00 H new ATOM 446 N SER A 29 -14.725 16.229 -6.660 1.00 0.00 N ATOM 447 CA SER A 29 -15.128 15.529 -5.472 1.00 0.00 C ATOM 448 C SER A 29 -13.888 15.148 -4.672 1.00 0.00 C ATOM 449 O SER A 29 -12.807 14.896 -5.257 1.00 0.00 O ATOM 450 CB SER A 29 -15.943 14.283 -5.849 1.00 0.00 C ATOM 451 OG SER A 29 -16.549 13.672 -4.721 1.00 0.00 O ATOM 0 H SER A 29 -14.813 15.688 -7.520 1.00 0.00 H new ATOM 0 HA SER A 29 -15.759 16.172 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.715 14.560 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.292 13.562 -6.343 1.00 0.00 H new ATOM 0 HG SER A 29 -17.058 12.885 -5.009 1.00 0.00 H new ATOM 457 N GLU A 30 -14.043 15.106 -3.358 1.00 0.00 N ATOM 458 CA GLU A 30 -12.965 14.781 -2.437 1.00 0.00 C ATOM 459 C GLU A 30 -12.364 13.430 -2.794 1.00 0.00 C ATOM 460 O GLU A 30 -11.150 13.297 -2.903 1.00 0.00 O ATOM 461 CB GLU A 30 -13.477 14.749 -0.990 1.00 0.00 C ATOM 462 CG GLU A 30 -12.412 14.372 0.029 1.00 0.00 C ATOM 463 CD GLU A 30 -12.979 14.101 1.397 1.00 0.00 C ATOM 464 OE1 GLU A 30 -12.807 14.932 2.316 1.00 0.00 O ATOM 465 OE2 GLU A 30 -13.600 13.022 1.589 1.00 0.00 O ATOM 0 H GLU A 30 -14.931 15.299 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.200 15.553 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.880 15.729 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.300 14.038 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.880 13.487 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.681 15.177 0.097 1.00 0.00 H new ATOM 472 N ARG A 31 -13.228 12.448 -3.024 1.00 0.00 N ATOM 473 CA ARG A 31 -12.809 11.086 -3.344 1.00 0.00 C ATOM 474 C ARG A 31 -12.029 11.084 -4.665 1.00 0.00 C ATOM 475 O ARG A 31 -11.029 10.397 -4.793 1.00 0.00 O ATOM 476 CB ARG A 31 -14.043 10.176 -3.480 1.00 0.00 C ATOM 477 CG ARG A 31 -13.866 8.719 -2.992 1.00 0.00 C ATOM 478 CD ARG A 31 -12.685 8.002 -3.642 1.00 0.00 C ATOM 479 NE ARG A 31 -12.600 6.581 -3.261 1.00 0.00 N ATOM 480 CZ ARG A 31 -11.494 5.953 -2.803 1.00 0.00 C ATOM 481 NH1 ARG A 31 -10.416 6.649 -2.429 1.00 0.00 N ATOM 482 NH2 ARG A 31 -11.494 4.636 -2.669 1.00 0.00 N ATOM 0 H ARG A 31 -14.240 12.572 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.172 10.713 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.866 10.627 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.340 10.154 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.731 8.720 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.779 8.161 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.771 8.078 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.760 8.505 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.449 6.023 -3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.421 7.667 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.588 6.162 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.327 4.099 -2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.661 4.159 -2.324 1.00 0.00 H new ATOM 496 N THR A 32 -12.466 11.903 -5.601 1.00 0.00 N ATOM 497 CA THR A 32 -11.884 11.965 -6.931 1.00 0.00 C ATOM 498 C THR A 32 -10.463 12.508 -6.844 1.00 0.00 C ATOM 499 O THR A 32 -9.522 11.974 -7.461 1.00 0.00 O ATOM 500 CB THR A 32 -12.752 12.863 -7.830 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.121 12.519 -7.608 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.409 12.646 -9.301 1.00 0.00 C ATOM 0 H THR A 32 -13.242 12.550 -5.461 1.00 0.00 H new ATOM 0 HA THR A 32 -11.848 10.965 -7.364 1.00 0.00 H new ATOM 0 HB THR A 32 -12.569 13.910 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.693 13.058 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.034 13.290 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.360 12.888 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.588 11.604 -9.566 1.00 0.00 H new ATOM 510 N VAL A 33 -10.311 13.537 -6.045 1.00 0.00 N ATOM 511 CA VAL A 33 -9.048 14.110 -5.748 1.00 0.00 C ATOM 512 C VAL A 33 -8.204 13.139 -5.049 1.00 0.00 C ATOM 513 O VAL A 33 -7.057 12.946 -5.397 1.00 0.00 O ATOM 514 CB VAL A 33 -9.255 15.324 -4.860 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.978 15.884 -4.371 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.877 16.330 -5.655 1.00 0.00 C ATOM 0 H VAL A 33 -11.091 14.001 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.558 14.401 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.853 15.022 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.178 16.750 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.447 15.128 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.365 16.187 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.043 17.221 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.232 16.578 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.833 15.961 -6.026 1.00 0.00 H new ATOM 526 N SER A 34 -8.786 12.474 -4.126 1.00 0.00 N ATOM 527 CA SER A 34 -8.047 11.623 -3.310 1.00 0.00 C ATOM 528 C SER A 34 -7.630 10.311 -4.058 1.00 0.00 C ATOM 529 O SER A 34 -6.924 9.475 -3.516 1.00 0.00 O ATOM 530 CB SER A 34 -8.763 11.363 -2.004 1.00 0.00 C ATOM 531 OG SER A 34 -9.111 12.600 -1.365 1.00 0.00 O ATOM 0 H SER A 34 -9.785 12.511 -3.923 1.00 0.00 H new ATOM 0 HA SER A 34 -7.114 12.126 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.663 10.776 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.126 10.773 -1.345 1.00 0.00 H new ATOM 0 HG SER A 34 -9.972 12.916 -1.710 1.00 0.00 H new ATOM 537 N LEU A 35 -8.166 10.118 -5.263 1.00 0.00 N ATOM 538 CA LEU A 35 -7.740 9.035 -6.135 1.00 0.00 C ATOM 539 C LEU A 35 -6.581 9.504 -7.017 1.00 0.00 C ATOM 540 O LEU A 35 -5.475 8.911 -7.009 1.00 0.00 O ATOM 541 CB LEU A 35 -8.900 8.561 -7.027 1.00 0.00 C ATOM 542 CG LEU A 35 -10.048 7.823 -6.346 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.166 7.565 -7.344 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.556 6.505 -5.767 1.00 0.00 C ATOM 0 H LEU A 35 -8.902 10.705 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.415 8.202 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.313 9.432 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.489 7.908 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.431 8.443 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.981 7.038 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.532 8.515 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.787 6.957 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.385 5.988 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.157 5.882 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.773 6.699 -5.034 1.00 0.00 H new ATOM 556 N LYS A 36 -6.835 10.574 -7.770 1.00 0.00 N ATOM 557 CA LYS A 36 -5.879 11.152 -8.687 1.00 0.00 C ATOM 558 C LYS A 36 -4.650 11.673 -7.994 1.00 0.00 C ATOM 559 O LYS A 36 -3.534 11.347 -8.352 1.00 0.00 O ATOM 560 CB LYS A 36 -6.538 12.267 -9.426 1.00 0.00 C ATOM 561 CG LYS A 36 -7.399 11.776 -10.541 1.00 0.00 C ATOM 562 CD LYS A 36 -8.421 12.783 -10.861 1.00 0.00 C ATOM 563 CE LYS A 36 -9.290 12.350 -12.027 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.553 12.360 -13.313 1.00 0.00 N ATOM 0 H LYS A 36 -7.729 11.065 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.554 10.365 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.143 12.852 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.776 12.936 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.789 11.571 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.876 10.837 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.047 12.957 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.937 13.730 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.673 11.347 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.152 13.013 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.143 11.930 -14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.326 13.340 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.672 11.816 -13.213 1.00 0.00 H new ATOM 578 N LEU A 37 -4.879 12.424 -6.950 1.00 0.00 N ATOM 579 CA LEU A 37 -3.838 13.105 -6.217 1.00 0.00 C ATOM 580 C LEU A 37 -3.262 12.199 -5.126 1.00 0.00 C ATOM 581 O LEU A 37 -2.596 12.648 -4.188 1.00 0.00 O ATOM 582 CB LEU A 37 -4.420 14.432 -5.664 1.00 0.00 C ATOM 583 CG LEU A 37 -3.511 15.343 -4.900 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.576 16.008 -5.813 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.285 16.340 -4.068 1.00 0.00 C ATOM 0 H LEU A 37 -5.814 12.585 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.000 13.347 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.823 14.995 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.260 14.182 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.933 14.738 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.920 16.668 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.977 15.258 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.135 16.593 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.589 16.982 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.911 16.950 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.914 15.808 -3.355 1.00 0.00 H new ATOM 597 N ASN A 38 -3.486 10.921 -5.269 1.00 0.00 N ATOM 598 CA ASN A 38 -2.929 9.987 -4.337 1.00 0.00 C ATOM 599 C ASN A 38 -1.903 9.156 -5.060 1.00 0.00 C ATOM 600 O ASN A 38 -0.707 9.246 -4.769 1.00 0.00 O ATOM 601 CB ASN A 38 -3.987 9.077 -3.724 1.00 0.00 C ATOM 602 CG ASN A 38 -3.483 8.314 -2.505 1.00 0.00 C ATOM 603 OD1 ASN A 38 -3.575 8.812 -1.387 1.00 0.00 O ATOM 604 ND2 ASN A 38 -2.980 7.118 -2.684 1.00 0.00 N ATOM 0 H ASN A 38 -4.045 10.508 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.478 10.546 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.852 9.676 -3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.326 8.365 -4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.653 6.577 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.915 6.728 -3.624 1.00 0.00 H new ATOM 611 N ASP A 39 -2.388 8.358 -6.035 1.00 0.00 N ATOM 612 CA ASP A 39 -1.523 7.479 -6.863 1.00 0.00 C ATOM 613 C ASP A 39 -2.340 6.552 -7.786 1.00 0.00 C ATOM 614 O ASP A 39 -1.751 5.735 -8.498 1.00 0.00 O ATOM 615 CB ASP A 39 -0.642 6.558 -5.982 1.00 0.00 C ATOM 616 CG ASP A 39 -1.396 5.377 -5.379 1.00 0.00 C ATOM 617 OD1 ASP A 39 -2.474 5.570 -4.787 1.00 0.00 O ATOM 618 OD2 ASP A 39 -0.894 4.234 -5.478 1.00 0.00 O ATOM 0 H ASP A 39 -3.379 8.302 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.911 8.158 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.186 6.180 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.207 7.149 -5.176 1.00 0.00 H new ATOM 623 N LYS A 40 -3.669 6.678 -7.831 1.00 0.00 N ATOM 624 CA LYS A 40 -4.443 5.721 -8.540 1.00 0.00 C ATOM 625 C LYS A 40 -4.543 6.116 -9.946 1.00 0.00 C ATOM 626 O LYS A 40 -4.327 5.311 -10.852 1.00 0.00 O ATOM 627 CB LYS A 40 -5.855 5.668 -7.992 1.00 0.00 C ATOM 628 CG LYS A 40 -5.956 5.551 -6.475 1.00 0.00 C ATOM 629 CD LYS A 40 -5.320 4.271 -5.974 1.00 0.00 C ATOM 630 CE LYS A 40 -5.433 4.161 -4.470 1.00 0.00 C ATOM 631 NZ LYS A 40 -4.838 2.915 -3.965 1.00 0.00 N ATOM 0 H LYS A 40 -4.200 7.426 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.957 4.751 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.385 6.567 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.371 4.820 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.468 6.407 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.004 5.579 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.803 3.413 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.270 4.244 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.938 5.014 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.483 4.205 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.936 2.878 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.327 2.100 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.830 2.884 -4.219 1.00 0.00 H new ATOM 645 N VAL A 41 -4.827 7.359 -10.150 1.00 0.00 N ATOM 646 CA VAL A 41 -5.170 7.758 -11.435 1.00 0.00 C ATOM 647 C VAL A 41 -4.318 8.920 -11.825 1.00 0.00 C ATOM 648 O VAL A 41 -3.547 9.440 -11.016 1.00 0.00 O ATOM 649 CB VAL A 41 -6.651 8.193 -11.522 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.264 7.505 -12.660 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.442 7.926 -10.268 1.00 0.00 C ATOM 0 H VAL A 41 -4.823 8.093 -9.441 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.016 6.910 -12.102 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.668 9.275 -11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.311 7.797 -12.741 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.739 7.778 -13.576 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.199 6.427 -12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.470 8.259 -10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.433 6.858 -10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.996 8.468 -9.434 1.00 0.00 H new ATOM 661 N THR A 42 -4.473 9.326 -13.018 1.00 0.00 N ATOM 662 CA THR A 42 -3.759 10.418 -13.555 1.00 0.00 C ATOM 663 C THR A 42 -4.681 11.614 -13.637 1.00 0.00 C ATOM 664 O THR A 42 -5.879 11.515 -13.322 1.00 0.00 O ATOM 665 CB THR A 42 -3.275 10.048 -14.961 1.00 0.00 C ATOM 666 OG1 THR A 42 -4.380 9.476 -15.700 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.124 9.050 -14.899 1.00 0.00 C ATOM 0 H THR A 42 -5.123 8.895 -13.676 1.00 0.00 H new ATOM 0 HA THR A 42 -2.904 10.658 -12.923 1.00 0.00 H new ATOM 0 HB THR A 42 -2.914 10.948 -15.459 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.081 9.237 -16.602 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.800 8.805 -15.910 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.292 9.488 -14.348 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.456 8.143 -14.394 1.00 0.00 H new ATOM 675 N TRP A 43 -4.148 12.715 -14.022 1.00 0.00 N ATOM 676 CA TRP A 43 -4.930 13.880 -14.263 1.00 0.00 C ATOM 677 C TRP A 43 -5.146 13.990 -15.745 1.00 0.00 C ATOM 678 O TRP A 43 -4.250 13.656 -16.526 1.00 0.00 O ATOM 679 CB TRP A 43 -4.220 15.131 -13.745 1.00 0.00 C ATOM 680 CG TRP A 43 -4.182 15.253 -12.251 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.082 15.911 -11.465 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.194 14.713 -11.360 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.711 15.824 -10.146 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.559 15.093 -10.054 1.00 0.00 C ATOM 685 CE3 TRP A 43 -2.040 13.948 -11.537 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.806 14.739 -8.938 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.299 13.600 -10.425 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.685 13.991 -9.145 1.00 0.00 C ATOM 0 H TRP A 43 -3.148 12.838 -14.181 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.882 13.800 -13.739 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.198 15.135 -14.123 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.716 16.011 -14.156 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.959 16.426 -11.828 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.214 16.238 -9.361 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.733 13.635 -12.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.099 15.046 -7.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.402 13.012 -10.550 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.083 13.695 -8.298 1.00 0.00 H new ATOM 699 N LYS A 44 -6.321 14.393 -16.139 1.00 0.00 N ATOM 700 CA LYS A 44 -6.601 14.628 -17.518 1.00 0.00 C ATOM 701 C LYS A 44 -5.920 15.914 -17.906 1.00 0.00 C ATOM 702 O LYS A 44 -5.618 16.731 -17.035 1.00 0.00 O ATOM 703 CB LYS A 44 -8.110 14.736 -17.752 1.00 0.00 C ATOM 704 CG LYS A 44 -8.896 13.462 -17.475 1.00 0.00 C ATOM 705 CD LYS A 44 -8.488 12.341 -18.413 1.00 0.00 C ATOM 706 CE LYS A 44 -9.324 11.095 -18.186 1.00 0.00 C ATOM 707 NZ LYS A 44 -8.976 10.026 -19.143 1.00 0.00 N ATOM 0 H LYS A 44 -7.106 14.566 -15.512 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.233 13.800 -18.124 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.504 15.533 -17.121 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.282 15.034 -18.786 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.735 13.151 -16.443 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.962 13.660 -17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.598 12.671 -19.446 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.434 12.106 -18.264 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.174 10.736 -17.168 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.381 11.342 -18.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.566 9.190 -18.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.143 10.361 -20.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.973 9.773 -19.032 1.00 0.00 H new ATOM 721 N ASP A 45 -5.708 16.113 -19.184 1.00 0.00 N ATOM 722 CA ASP A 45 -4.991 17.297 -19.695 1.00 0.00 C ATOM 723 C ASP A 45 -5.622 18.580 -19.192 1.00 0.00 C ATOM 724 O ASP A 45 -4.933 19.473 -18.707 1.00 0.00 O ATOM 725 CB ASP A 45 -4.936 17.261 -21.220 1.00 0.00 C ATOM 726 CG ASP A 45 -4.296 18.476 -21.848 1.00 0.00 C ATOM 727 OD1 ASP A 45 -3.059 18.547 -21.898 1.00 0.00 O ATOM 728 OD2 ASP A 45 -5.026 19.335 -22.392 1.00 0.00 O ATOM 0 H ASP A 45 -6.020 15.471 -19.913 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.969 17.273 -19.316 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.385 16.373 -21.531 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.950 17.159 -21.606 1.00 0.00 H new ATOM 733 N ASP A 46 -6.937 18.624 -19.243 1.00 0.00 N ATOM 734 CA ASP A 46 -7.709 19.760 -18.729 1.00 0.00 C ATOM 735 C ASP A 46 -7.461 19.971 -17.258 1.00 0.00 C ATOM 736 O ASP A 46 -7.334 21.091 -16.814 1.00 0.00 O ATOM 737 CB ASP A 46 -9.209 19.553 -18.937 1.00 0.00 C ATOM 738 CG ASP A 46 -9.648 19.726 -20.353 1.00 0.00 C ATOM 739 OD1 ASP A 46 -9.318 18.874 -21.203 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.362 20.707 -20.640 1.00 0.00 O ATOM 0 H ASP A 46 -7.510 17.879 -19.640 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.379 20.636 -19.286 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.478 18.551 -18.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.755 20.257 -18.308 1.00 0.00 H new ATOM 745 N GLU A 47 -7.315 18.886 -16.524 1.00 0.00 N ATOM 746 CA GLU A 47 -7.186 18.955 -15.071 1.00 0.00 C ATOM 747 C GLU A 47 -5.812 19.460 -14.712 1.00 0.00 C ATOM 748 O GLU A 47 -5.650 20.239 -13.771 1.00 0.00 O ATOM 749 CB GLU A 47 -7.449 17.592 -14.434 1.00 0.00 C ATOM 750 CG GLU A 47 -8.821 17.028 -14.760 1.00 0.00 C ATOM 751 CD GLU A 47 -9.051 15.657 -14.173 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.132 14.812 -14.216 1.00 0.00 O ATOM 753 OE2 GLU A 47 -10.173 15.379 -13.718 1.00 0.00 O ATOM 0 H GLU A 47 -7.282 17.941 -16.906 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.932 19.648 -14.682 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.686 16.889 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.348 17.679 -13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.586 17.709 -14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.939 16.978 -15.842 1.00 0.00 H new ATOM 760 N ILE A 48 -4.833 19.039 -15.497 1.00 0.00 N ATOM 761 CA ILE A 48 -3.466 19.494 -15.349 1.00 0.00 C ATOM 762 C ILE A 48 -3.438 21.005 -15.551 1.00 0.00 C ATOM 763 O ILE A 48 -2.932 21.744 -14.711 1.00 0.00 O ATOM 764 CB ILE A 48 -2.524 18.809 -16.386 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.616 17.282 -16.246 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.079 19.285 -16.201 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.784 16.493 -17.232 1.00 0.00 C ATOM 0 H ILE A 48 -4.968 18.371 -16.256 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.110 19.231 -14.353 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.843 19.089 -17.390 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.311 17.007 -15.236 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.659 16.985 -16.356 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.438 18.795 -16.934 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.031 20.365 -16.341 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.739 19.034 -15.196 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.918 15.427 -17.050 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.101 16.731 -18.248 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.732 16.752 -17.110 1.00 0.00 H new ATOM 779 N LEU A 49 -4.057 21.450 -16.636 1.00 0.00 N ATOM 780 CA LEU A 49 -4.151 22.821 -16.982 1.00 0.00 C ATOM 781 C LEU A 49 -4.878 23.630 -15.906 1.00 0.00 C ATOM 782 O LEU A 49 -4.437 24.734 -15.550 1.00 0.00 O ATOM 783 CB LEU A 49 -4.861 22.928 -18.314 1.00 0.00 C ATOM 784 CG LEU A 49 -4.136 22.333 -19.524 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.951 22.529 -20.784 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.744 22.930 -19.688 1.00 0.00 C ATOM 0 H LEU A 49 -4.514 20.831 -17.305 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.148 23.241 -17.059 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.831 22.440 -18.224 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.052 23.982 -18.515 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.020 21.264 -19.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.418 22.099 -21.632 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.916 22.035 -20.673 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.106 23.594 -20.955 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.257 22.485 -20.556 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.825 24.008 -19.829 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.153 22.725 -18.796 1.00 0.00 H new ATOM 798 N LYS A 50 -5.970 23.085 -15.376 1.00 0.00 N ATOM 799 CA LYS A 50 -6.720 23.743 -14.338 1.00 0.00 C ATOM 800 C LYS A 50 -5.885 23.929 -13.085 1.00 0.00 C ATOM 801 O LYS A 50 -5.972 24.964 -12.427 1.00 0.00 O ATOM 802 CB LYS A 50 -7.989 22.992 -14.014 1.00 0.00 C ATOM 803 CG LYS A 50 -9.047 22.877 -15.134 1.00 0.00 C ATOM 804 CD LYS A 50 -9.528 24.220 -15.709 1.00 0.00 C ATOM 805 CE LYS A 50 -8.622 24.731 -16.836 1.00 0.00 C ATOM 806 NZ LYS A 50 -9.050 26.043 -17.353 1.00 0.00 N ATOM 0 H LYS A 50 -6.349 22.181 -15.659 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.993 24.728 -14.716 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.715 21.984 -13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.457 23.474 -13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.633 22.278 -15.945 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.909 22.335 -14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.544 24.108 -16.086 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.564 24.962 -14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.598 24.805 -16.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.617 24.007 -17.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.406 26.344 -18.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.017 25.970 -17.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.029 26.743 -16.584 1.00 0.00 H new ATOM 820 N ALA A 51 -5.060 22.941 -12.779 1.00 0.00 N ATOM 821 CA ALA A 51 -4.176 23.007 -11.634 1.00 0.00 C ATOM 822 C ALA A 51 -3.072 24.026 -11.878 1.00 0.00 C ATOM 823 O ALA A 51 -2.826 24.869 -11.035 1.00 0.00 O ATOM 824 CB ALA A 51 -3.593 21.639 -11.315 1.00 0.00 C ATOM 0 H ALA A 51 -4.987 22.077 -13.316 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.757 23.328 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.933 21.717 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.401 20.942 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.027 21.276 -12.173 1.00 0.00 H new ATOM 830 N VAL A 52 -2.445 23.968 -13.060 1.00 0.00 N ATOM 831 CA VAL A 52 -1.379 24.919 -13.463 1.00 0.00 C ATOM 832 C VAL A 52 -1.868 26.365 -13.331 1.00 0.00 C ATOM 833 O VAL A 52 -1.122 27.250 -12.933 1.00 0.00 O ATOM 834 CB VAL A 52 -0.918 24.667 -14.945 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.088 25.716 -15.420 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.307 23.289 -15.086 1.00 0.00 C ATOM 0 H VAL A 52 -2.656 23.265 -13.769 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.532 24.756 -12.797 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.808 24.741 -15.569 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.378 25.502 -16.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.367 26.705 -15.370 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.971 25.689 -14.781 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.006 23.134 -16.119 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.558 23.206 -14.428 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.044 22.534 -14.813 1.00 0.00 H new ATOM 846 N HIS A 53 -3.137 26.562 -13.619 1.00 0.00 N ATOM 847 CA HIS A 53 -3.771 27.872 -13.592 1.00 0.00 C ATOM 848 C HIS A 53 -3.904 28.392 -12.157 1.00 0.00 C ATOM 849 O HIS A 53 -3.732 29.573 -11.897 1.00 0.00 O ATOM 850 CB HIS A 53 -5.163 27.753 -14.223 1.00 0.00 C ATOM 851 CG HIS A 53 -5.853 29.056 -14.556 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.134 29.445 -15.846 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.372 30.022 -13.763 1.00 0.00 C ATOM 854 CE1 HIS A 53 -6.787 30.581 -15.829 1.00 0.00 C ATOM 855 NE2 HIS A 53 -6.945 30.955 -14.580 1.00 0.00 N ATOM 0 H HIS A 53 -3.771 25.808 -13.883 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.154 28.576 -14.151 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.077 27.166 -15.138 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.802 27.190 -13.542 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.339 30.050 -12.684 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.137 31.120 -16.697 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.418 31.804 -14.270 1.00 0.00 H new ATOM 863 N VAL A 54 -4.183 27.497 -11.246 1.00 0.00 N ATOM 864 CA VAL A 54 -4.467 27.859 -9.858 1.00 0.00 C ATOM 865 C VAL A 54 -3.192 27.888 -9.055 1.00 0.00 C ATOM 866 O VAL A 54 -2.830 28.889 -8.422 1.00 0.00 O ATOM 867 CB VAL A 54 -5.459 26.838 -9.217 1.00 0.00 C ATOM 868 CG1 VAL A 54 -5.661 27.106 -7.730 1.00 0.00 C ATOM 869 CG2 VAL A 54 -6.796 26.877 -9.934 1.00 0.00 C ATOM 0 H VAL A 54 -4.223 26.495 -11.432 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.922 28.850 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.021 25.846 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.358 26.375 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.705 27.026 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.065 28.109 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.476 26.159 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.220 27.878 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.653 26.621 -10.984 1.00 0.00 H new ATOM 879 N LEU A 55 -2.509 26.792 -9.106 1.00 0.00 N ATOM 880 CA LEU A 55 -1.315 26.555 -8.415 1.00 0.00 C ATOM 881 C LEU A 55 -0.184 27.429 -8.931 1.00 0.00 C ATOM 882 O LEU A 55 0.699 27.814 -8.163 1.00 0.00 O ATOM 883 CB LEU A 55 -1.012 25.097 -8.615 1.00 0.00 C ATOM 884 CG LEU A 55 -1.773 24.065 -7.753 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.229 24.021 -6.357 1.00 0.00 C ATOM 886 CD2 LEU A 55 -3.282 24.297 -7.691 1.00 0.00 C ATOM 0 H LEU A 55 -2.802 25.996 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.417 26.802 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.200 24.859 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.054 24.952 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.613 23.110 -8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.784 23.286 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.176 23.742 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.331 25.003 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.743 23.531 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.482 25.280 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.700 24.245 -8.696 1.00 0.00 H new ATOM 898 N GLU A 56 -0.285 27.806 -10.201 1.00 0.00 N ATOM 899 CA GLU A 56 0.715 28.583 -10.922 1.00 0.00 C ATOM 900 C GLU A 56 1.958 27.778 -11.136 1.00 0.00 C ATOM 901 O GLU A 56 2.913 27.822 -10.350 1.00 0.00 O ATOM 902 CB GLU A 56 1.016 29.940 -10.309 1.00 0.00 C ATOM 903 CG GLU A 56 -0.155 30.885 -10.320 1.00 0.00 C ATOM 904 CD GLU A 56 0.215 32.201 -9.740 1.00 0.00 C ATOM 905 OE1 GLU A 56 0.122 32.356 -8.508 1.00 0.00 O ATOM 906 OE2 GLU A 56 0.634 33.095 -10.502 1.00 0.00 O ATOM 0 H GLU A 56 -1.094 27.570 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 56 0.275 28.812 -11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.347 29.798 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.845 30.397 -10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.507 31.021 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.980 30.453 -9.753 1.00 0.00 H new ATOM 913 N LEU A 57 1.904 27.001 -12.163 1.00 0.00 N ATOM 914 CA LEU A 57 2.959 26.119 -12.519 1.00 0.00 C ATOM 915 C LEU A 57 3.457 26.475 -13.901 1.00 0.00 C ATOM 916 O LEU A 57 3.049 27.498 -14.464 1.00 0.00 O ATOM 917 CB LEU A 57 2.456 24.691 -12.475 1.00 0.00 C ATOM 918 CG LEU A 57 1.893 24.199 -11.130 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.398 22.772 -11.246 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.933 24.309 -10.026 1.00 0.00 C ATOM 0 H LEU A 57 1.104 26.961 -12.794 1.00 0.00 H new ATOM 0 HA LEU A 57 3.786 26.215 -11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.678 24.581 -13.231 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.275 24.032 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 57 1.051 24.840 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.004 22.444 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.610 22.720 -11.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.223 22.123 -11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.507 23.954 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.801 23.702 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.238 25.350 -9.916 1.00 0.00 H new ATOM 932 N ASN A 58 4.314 25.665 -14.441 1.00 0.00 N ATOM 933 CA ASN A 58 4.879 25.886 -15.743 1.00 0.00 C ATOM 934 C ASN A 58 4.930 24.547 -16.470 1.00 0.00 C ATOM 935 O ASN A 58 5.112 23.526 -15.816 1.00 0.00 O ATOM 936 CB ASN A 58 6.293 26.460 -15.568 1.00 0.00 C ATOM 937 CG ASN A 58 6.994 26.733 -16.866 1.00 0.00 C ATOM 938 OD1 ASN A 58 7.691 25.882 -17.395 1.00 0.00 O ATOM 939 ND2 ASN A 58 6.787 27.893 -17.393 1.00 0.00 N ATOM 0 H ASN A 58 4.648 24.816 -13.985 1.00 0.00 H new ATOM 0 HA ASN A 58 4.281 26.589 -16.323 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.232 27.386 -14.996 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.890 25.761 -14.982 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.214 28.130 -18.289 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.197 28.573 -16.914 1.00 0.00 H new ATOM 946 N PRO A 59 4.738 24.512 -17.817 1.00 0.00 N ATOM 947 CA PRO A 59 4.802 23.265 -18.615 1.00 0.00 C ATOM 948 C PRO A 59 6.107 22.462 -18.409 1.00 0.00 C ATOM 949 O PRO A 59 6.121 21.237 -18.533 1.00 0.00 O ATOM 950 CB PRO A 59 4.692 23.747 -20.075 1.00 0.00 C ATOM 951 CG PRO A 59 4.872 25.227 -20.019 1.00 0.00 C ATOM 952 CD PRO A 59 4.382 25.659 -18.671 1.00 0.00 C ATOM 0 HA PRO A 59 4.011 22.577 -18.316 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.454 23.282 -20.701 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.725 23.485 -20.503 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.919 25.497 -20.157 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.309 25.718 -20.813 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.866 26.577 -18.339 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.308 25.847 -18.671 1.00 0.00 H new ATOM 960 N GLN A 60 7.183 23.144 -18.066 1.00 0.00 N ATOM 961 CA GLN A 60 8.460 22.485 -17.833 1.00 0.00 C ATOM 962 C GLN A 60 8.530 21.917 -16.442 1.00 0.00 C ATOM 963 O GLN A 60 9.215 20.936 -16.186 1.00 0.00 O ATOM 964 CB GLN A 60 9.602 23.441 -18.019 1.00 0.00 C ATOM 965 CG GLN A 60 9.957 23.731 -19.455 1.00 0.00 C ATOM 966 CD GLN A 60 8.851 24.365 -20.280 1.00 0.00 C ATOM 967 OE1 GLN A 60 8.065 23.668 -20.930 1.00 0.00 O ATOM 968 NE2 GLN A 60 8.758 25.663 -20.245 1.00 0.00 N ATOM 0 H GLN A 60 7.201 24.156 -17.942 1.00 0.00 H new ATOM 0 HA GLN A 60 8.539 21.677 -18.560 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.355 24.380 -17.524 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.481 23.037 -17.517 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.824 24.391 -19.472 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.256 22.799 -19.934 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.425 26.207 -19.698 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.019 26.136 -20.765 1.00 0.00 H new ATOM 977 N ASP A 61 7.786 22.527 -15.558 1.00 0.00 N ATOM 978 CA ASP A 61 7.774 22.163 -14.135 1.00 0.00 C ATOM 979 C ASP A 61 6.872 20.946 -13.918 1.00 0.00 C ATOM 980 O ASP A 61 6.968 20.262 -12.924 1.00 0.00 O ATOM 981 CB ASP A 61 7.247 23.350 -13.313 1.00 0.00 C ATOM 982 CG ASP A 61 7.951 23.547 -11.983 1.00 0.00 C ATOM 983 OD1 ASP A 61 9.196 23.508 -11.952 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.281 23.850 -10.974 1.00 0.00 O ATOM 0 H ASP A 61 7.161 23.299 -15.790 1.00 0.00 H new ATOM 0 HA ASP A 61 8.786 21.917 -13.815 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.349 24.260 -13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.182 23.206 -13.130 1.00 0.00 H new ATOM 989 N ILE A 62 6.043 20.666 -14.919 1.00 0.00 N ATOM 990 CA ILE A 62 5.035 19.576 -14.919 1.00 0.00 C ATOM 991 C ILE A 62 5.490 18.172 -14.395 1.00 0.00 C ATOM 992 O ILE A 62 4.771 17.593 -13.567 1.00 0.00 O ATOM 993 CB ILE A 62 4.332 19.439 -16.308 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.501 20.691 -16.606 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.463 18.177 -16.413 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.419 21.000 -15.588 1.00 0.00 C ATOM 0 H ILE A 62 6.043 21.201 -15.787 1.00 0.00 H new ATOM 0 HA ILE A 62 4.327 19.917 -14.164 1.00 0.00 H new ATOM 0 HB ILE A 62 5.119 19.340 -17.056 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.172 21.547 -16.671 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.036 20.575 -17.585 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.000 18.135 -17.399 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.085 17.294 -16.266 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.687 18.205 -15.648 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.886 21.903 -15.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.719 20.166 -15.537 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.873 21.153 -14.609 1.00 0.00 H new ATOM 1008 N PRO A 63 6.682 17.599 -14.799 1.00 0.00 N ATOM 1009 CA PRO A 63 7.032 16.224 -14.415 1.00 0.00 C ATOM 1010 C PRO A 63 7.240 16.087 -12.926 1.00 0.00 C ATOM 1011 O PRO A 63 7.049 15.036 -12.355 1.00 0.00 O ATOM 1012 CB PRO A 63 8.332 15.938 -15.162 1.00 0.00 C ATOM 1013 CG PRO A 63 8.911 17.264 -15.491 1.00 0.00 C ATOM 1014 CD PRO A 63 7.767 18.232 -15.581 1.00 0.00 C ATOM 0 HA PRO A 63 6.234 15.525 -14.665 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.016 15.355 -14.546 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.144 15.359 -16.066 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.621 17.576 -14.725 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.457 17.223 -16.434 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.037 19.205 -15.170 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.467 18.396 -16.616 1.00 0.00 H new ATOM 1022 N LYS A 64 7.541 17.188 -12.309 1.00 0.00 N ATOM 1023 CA LYS A 64 7.831 17.240 -10.892 1.00 0.00 C ATOM 1024 C LYS A 64 6.537 17.068 -10.089 1.00 0.00 C ATOM 1025 O LYS A 64 6.562 16.819 -8.883 1.00 0.00 O ATOM 1026 CB LYS A 64 8.448 18.592 -10.551 1.00 0.00 C ATOM 1027 CG LYS A 64 9.502 19.072 -11.544 1.00 0.00 C ATOM 1028 CD LYS A 64 10.091 20.390 -11.094 1.00 0.00 C ATOM 1029 CE LYS A 64 11.094 20.927 -12.091 1.00 0.00 C ATOM 1030 NZ LYS A 64 11.561 22.278 -11.713 1.00 0.00 N ATOM 0 H LYS A 64 7.595 18.094 -12.774 1.00 0.00 H new ATOM 0 HA LYS A 64 8.526 16.438 -10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.654 19.336 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.900 18.532 -9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.292 18.326 -11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.055 19.185 -12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.291 21.117 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.575 20.260 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.946 20.250 -12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.642 20.961 -13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.208 22.638 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.744 22.917 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.059 22.231 -10.801 1.00 0.00 H new ATOM 1044 N TYR A 65 5.412 17.225 -10.766 1.00 0.00 N ATOM 1045 CA TYR A 65 4.134 17.155 -10.145 1.00 0.00 C ATOM 1046 C TYR A 65 3.309 16.009 -10.707 1.00 0.00 C ATOM 1047 O TYR A 65 2.960 15.086 -10.001 1.00 0.00 O ATOM 1048 CB TYR A 65 3.382 18.461 -10.396 1.00 0.00 C ATOM 1049 CG TYR A 65 4.109 19.693 -9.941 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.064 20.100 -8.630 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.849 20.441 -10.824 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.743 21.211 -8.207 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.521 21.542 -10.411 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.467 21.927 -9.108 1.00 0.00 C ATOM 1055 OH TYR A 65 6.176 23.023 -8.705 1.00 0.00 O ATOM 0 H TYR A 65 5.378 17.405 -11.769 1.00 0.00 H new ATOM 0 HA TYR A 65 4.284 16.990 -9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.177 18.548 -11.463 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.418 18.414 -9.889 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.482 19.533 -7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.896 20.147 -11.862 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.704 21.515 -7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.101 22.116 -11.118 1.00 0.00 H new ATOM 0 HH TYR A 65 6.476 23.526 -9.491 1.00 0.00 H new ATOM 1065 N PHE A 66 3.062 16.053 -11.996 1.00 0.00 N ATOM 1066 CA PHE A 66 2.086 15.171 -12.617 1.00 0.00 C ATOM 1067 C PHE A 66 2.735 14.057 -13.433 1.00 0.00 C ATOM 1068 O PHE A 66 2.118 13.543 -14.365 1.00 0.00 O ATOM 1069 CB PHE A 66 1.177 15.998 -13.545 1.00 0.00 C ATOM 1070 CG PHE A 66 0.514 17.182 -12.890 1.00 0.00 C ATOM 1071 CD1 PHE A 66 0.979 18.465 -13.121 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.567 17.014 -12.050 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.377 19.552 -12.527 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -1.175 18.098 -11.450 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.701 19.369 -11.690 1.00 0.00 C ATOM 0 H PHE A 66 3.524 16.692 -12.643 1.00 0.00 H new ATOM 0 HA PHE A 66 1.515 14.704 -11.815 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.769 16.352 -14.389 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.404 15.345 -13.950 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.825 18.616 -13.775 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.943 16.020 -11.859 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.750 20.547 -12.718 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.020 17.950 -10.794 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.174 20.220 -11.223 1.00 0.00 H new ATOM 1085 N PHE A 67 3.950 13.648 -13.095 1.00 0.00 N ATOM 1086 CA PHE A 67 4.576 12.586 -13.886 1.00 0.00 C ATOM 1087 C PHE A 67 4.075 11.221 -13.429 1.00 0.00 C ATOM 1088 O PHE A 67 4.133 10.248 -14.181 1.00 0.00 O ATOM 1089 CB PHE A 67 6.102 12.616 -13.820 1.00 0.00 C ATOM 1090 CG PHE A 67 6.752 12.066 -15.060 1.00 0.00 C ATOM 1091 CD1 PHE A 67 7.262 10.794 -15.089 1.00 0.00 C ATOM 1092 CD2 PHE A 67 6.832 12.838 -16.203 1.00 0.00 C ATOM 1093 CE1 PHE A 67 7.844 10.290 -16.232 1.00 0.00 C ATOM 1094 CE2 PHE A 67 7.415 12.347 -17.350 1.00 0.00 C ATOM 1095 CZ PHE A 67 7.922 11.070 -17.365 1.00 0.00 C ATOM 0 H PHE A 67 4.503 14.011 -12.319 1.00 0.00 H new ATOM 0 HA PHE A 67 4.291 12.763 -14.923 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.434 13.643 -13.667 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.435 12.041 -12.956 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.207 10.178 -14.204 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.432 13.841 -16.197 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.239 9.285 -16.240 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.474 12.964 -18.235 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.380 10.679 -18.262 1.00 0.00 H new ATOM 1105 N ASN A 68 3.552 11.173 -12.199 1.00 0.00 N ATOM 1106 CA ASN A 68 3.048 9.998 -11.559 1.00 0.00 C ATOM 1107 C ASN A 68 3.996 8.808 -11.608 1.00 0.00 C ATOM 1108 O ASN A 68 3.568 7.661 -11.545 1.00 0.00 O ATOM 1109 CB ASN A 68 1.691 9.634 -12.109 1.00 0.00 C ATOM 1110 CG ASN A 68 0.602 10.671 -11.871 1.00 0.00 C ATOM 1111 OD1 ASN A 68 0.855 11.870 -11.823 1.00 0.00 O ATOM 1112 ND2 ASN A 68 -0.619 10.208 -11.716 1.00 0.00 N ATOM 0 H ASN A 68 3.474 12.003 -11.612 1.00 0.00 H new ATOM 0 HA ASN A 68 2.953 10.250 -10.503 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.784 9.466 -13.182 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.376 8.690 -11.664 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.392 10.853 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.793 9.204 -11.762 1.00 0.00 H new ATOM 1119 N ALA A 69 5.281 9.063 -11.641 1.00 0.00 N ATOM 1120 CA ALA A 69 6.233 7.982 -11.683 1.00 0.00 C ATOM 1121 C ALA A 69 6.582 7.498 -10.290 1.00 0.00 C ATOM 1122 O ALA A 69 7.696 7.694 -9.796 1.00 0.00 O ATOM 1123 CB ALA A 69 7.474 8.338 -12.481 1.00 0.00 C ATOM 0 H ALA A 69 5.688 9.998 -11.640 1.00 0.00 H new ATOM 0 HA ALA A 69 5.752 7.156 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.161 7.491 -12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.191 8.578 -13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.963 9.200 -12.028 1.00 0.00 H new ATOM 1129 N LYS A 70 5.599 6.933 -9.632 1.00 0.00 N ATOM 1130 CA LYS A 70 5.801 6.309 -8.362 1.00 0.00 C ATOM 1131 C LYS A 70 6.456 4.995 -8.579 1.00 0.00 C ATOM 1132 O LYS A 70 5.823 4.020 -9.017 1.00 0.00 O ATOM 1133 CB LYS A 70 4.520 6.202 -7.494 1.00 0.00 C ATOM 1134 CG LYS A 70 3.269 5.627 -8.167 1.00 0.00 C ATOM 1135 CD LYS A 70 2.453 6.704 -8.869 1.00 0.00 C ATOM 1136 CE LYS A 70 1.272 6.121 -9.637 1.00 0.00 C ATOM 1137 NZ LYS A 70 1.696 5.284 -10.786 1.00 0.00 N ATOM 0 H LYS A 70 4.637 6.897 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 70 6.454 6.952 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.750 5.586 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.278 7.198 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.563 4.866 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.649 5.133 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.088 7.419 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.095 7.254 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.664 5.521 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.641 6.933 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.871 5.067 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.402 5.800 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.113 4.398 -10.435 1.00 0.00 H new ATOM 1151 N VAL A 71 7.752 4.995 -8.324 1.00 0.00 N ATOM 1152 CA VAL A 71 8.604 3.867 -8.551 1.00 0.00 C ATOM 1153 C VAL A 71 8.582 3.547 -10.068 1.00 0.00 C ATOM 1154 O VAL A 71 8.435 2.393 -10.511 1.00 0.00 O ATOM 1155 CB VAL A 71 8.197 2.651 -7.671 1.00 0.00 C ATOM 1156 CG1 VAL A 71 9.276 1.621 -7.711 1.00 0.00 C ATOM 1157 CG2 VAL A 71 7.942 3.077 -6.222 1.00 0.00 C ATOM 0 H VAL A 71 8.242 5.805 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 71 9.626 4.102 -8.253 1.00 0.00 H new ATOM 0 HB VAL A 71 7.273 2.233 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.989 0.770 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.425 1.290 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.203 2.050 -7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.659 2.206 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.849 3.518 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.136 3.811 -6.195 1.00 0.00 H new ATOM 1167 N HIS A 72 8.705 4.636 -10.837 1.00 0.00 N ATOM 1168 CA HIS A 72 8.728 4.657 -12.299 1.00 0.00 C ATOM 1169 C HIS A 72 7.368 4.239 -12.879 1.00 0.00 C ATOM 1170 O HIS A 72 6.477 5.099 -12.983 1.00 0.00 O ATOM 1171 CB HIS A 72 9.882 3.806 -12.865 1.00 0.00 C ATOM 1172 CG HIS A 72 10.180 4.068 -14.313 1.00 0.00 C ATOM 1173 ND1 HIS A 72 11.217 4.874 -14.724 1.00 0.00 N ATOM 1174 CD2 HIS A 72 9.585 3.626 -15.441 1.00 0.00 C ATOM 1175 CE1 HIS A 72 11.246 4.920 -16.034 1.00 0.00 C ATOM 1176 NE2 HIS A 72 10.267 4.169 -16.493 1.00 0.00 N ATOM 0 H HIS A 72 8.795 5.569 -10.435 1.00 0.00 H new ATOM 0 HA HIS A 72 8.915 5.684 -12.612 1.00 0.00 H new ATOM 0 HB2 HIS A 72 10.781 3.996 -12.279 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.637 2.751 -12.740 1.00 0.00 H new ATOM 0 HD2 HIS A 72 8.731 2.967 -15.501 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.951 5.477 -16.633 1.00 0.00 H new ATOM 0 HE2 HIS A 72 10.052 4.017 -17.478 1.00 0.00 H new TER 1184 HIS A 72