USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 993 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 62 MET CE :methyl 144:sc= -0.285 (180deg=-2.71!) USER MOD Set 1.2: A 88 MET CE :methyl -113:sc= -1.67 (180deg=-0.435) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0.0196 USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 24 TYR OH : rot 80:sc=-0.000442 USER MOD Set 3.2: A 39 SER OG : rot -150:sc= -0.228 USER MOD Set 3.3: A 64 MET CE :methyl -155:sc= 0 (180deg=-0.561) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.471 K(o=-2.1,f=-5.2!) USER MOD Set 4.2: A 71 MET CE :methyl -133:sc= -1.17 (180deg=-3.38!) USER MOD Set 4.3: A 72 MET CE :methyl 157:sc= -0.43 (180deg=-0.822) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00336) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -150:sc= -0.313 (180deg=-1.37!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -130:sc= -2.93! (180deg=-7.74!) USER MOD Single : A 17 GLN : amide:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0719) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0179) USER MOD Single : A 29 ASN : amide:sc= -0.244 K(o=-0.24,f=-4!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -1.39 (180deg=-2.42!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 141:sc= 0.083 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0194) USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= -0.333 (180deg=-1.91!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-4.1!) USER MOD Single : A 74 ASN : amide:sc= -0.0873 K(o=-0.087,f=-1.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -55:sc= 0.349 USER MOD Single : A 77 GLN : amide:sc= -0.394 K(o=-0.39,f=-2.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -111:sc= -0.318 (180deg=-2.02!) USER MOD Single : A 89 MET CE :methyl 166:sc= -0.053 (180deg=-0.349) USER MOD Single : A 91 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 92 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.7) USER MOD Single : A 94 CYS SG : rot 39:sc= 1.2 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.66) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 166:sc=-0.00726 (180deg=-0.175) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0381) USER MOD Single : A 117 THR OG1 : rot 93:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.911 -1.525 -8.683 1.00 0.00 N ATOM 2 CA GLY A 1 19.779 -0.989 -9.416 1.00 0.00 C ATOM 3 C GLY A 1 19.534 0.476 -9.114 1.00 0.00 C ATOM 4 O GLY A 1 18.814 0.811 -8.174 1.00 0.00 O ATOM 0 H1 GLY A 1 21.037 -2.529 -8.924 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.770 -0.998 -8.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.738 -1.433 -7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.951 -1.113 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.886 -1.562 -9.169 1.00 0.00 H new ATOM 8 N SER A 2 20.135 1.352 -9.913 1.00 0.00 N ATOM 9 CA SER A 2 19.983 2.790 -9.724 1.00 0.00 C ATOM 10 C SER A 2 18.520 3.203 -9.852 1.00 0.00 C ATOM 11 O SER A 2 17.838 2.824 -10.804 1.00 0.00 O ATOM 12 CB SER A 2 20.831 3.553 -10.743 1.00 0.00 C ATOM 13 OG SER A 2 22.166 3.697 -10.289 1.00 0.00 O ATOM 0 H SER A 2 20.732 1.091 -10.698 1.00 0.00 H new ATOM 0 HA SER A 2 20.326 3.037 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.823 3.025 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.395 4.536 -10.920 1.00 0.00 H new ATOM 0 HG SER A 2 22.688 4.186 -10.958 1.00 0.00 H new ATOM 19 N SER A 3 18.044 3.982 -8.886 1.00 0.00 N ATOM 20 CA SER A 3 16.661 4.444 -8.887 1.00 0.00 C ATOM 21 C SER A 3 16.508 5.702 -8.038 1.00 0.00 C ATOM 22 O SER A 3 16.850 5.712 -6.856 1.00 0.00 O ATOM 23 CB SER A 3 15.734 3.345 -8.364 1.00 0.00 C ATOM 24 OG SER A 3 14.375 3.735 -8.464 1.00 0.00 O ATOM 0 H SER A 3 18.596 4.307 -8.092 1.00 0.00 H new ATOM 0 HA SER A 3 16.384 4.684 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.895 2.428 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.977 3.124 -7.325 1.00 0.00 H new ATOM 0 HG SER A 3 13.802 3.015 -8.125 1.00 0.00 H new ATOM 30 N GLY A 4 15.990 6.762 -8.650 1.00 0.00 N ATOM 31 CA GLY A 4 15.800 8.012 -7.936 1.00 0.00 C ATOM 32 C GLY A 4 15.054 9.042 -8.760 1.00 0.00 C ATOM 33 O GLY A 4 15.020 8.959 -9.988 1.00 0.00 O ATOM 0 H GLY A 4 15.698 6.778 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.250 7.821 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.772 8.415 -7.650 1.00 0.00 H new ATOM 37 N SER A 5 14.452 10.016 -8.084 1.00 0.00 N ATOM 38 CA SER A 5 13.698 11.064 -8.761 1.00 0.00 C ATOM 39 C SER A 5 13.770 12.374 -7.982 1.00 0.00 C ATOM 40 O SER A 5 14.314 12.424 -6.879 1.00 0.00 O ATOM 41 CB SER A 5 12.238 10.640 -8.934 1.00 0.00 C ATOM 42 OG SER A 5 11.605 10.465 -7.678 1.00 0.00 O ATOM 0 H SER A 5 14.472 10.101 -7.068 1.00 0.00 H new ATOM 0 HA SER A 5 14.142 11.221 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.703 11.394 -9.512 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.191 9.710 -9.501 1.00 0.00 H new ATOM 0 HG SER A 5 10.673 10.196 -7.816 1.00 0.00 H new ATOM 48 N SER A 6 13.216 13.433 -8.566 1.00 0.00 N ATOM 49 CA SER A 6 13.221 14.745 -7.930 1.00 0.00 C ATOM 50 C SER A 6 12.693 14.658 -6.501 1.00 0.00 C ATOM 51 O SER A 6 11.847 13.821 -6.189 1.00 0.00 O ATOM 52 CB SER A 6 12.374 15.730 -8.739 1.00 0.00 C ATOM 53 OG SER A 6 12.510 17.049 -8.240 1.00 0.00 O ATOM 0 H SER A 6 12.759 13.407 -9.477 1.00 0.00 H new ATOM 0 HA SER A 6 14.250 15.102 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.677 15.701 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.327 15.430 -8.702 1.00 0.00 H new ATOM 0 HG SER A 6 11.961 17.659 -8.775 1.00 0.00 H new ATOM 59 N GLY A 7 13.201 15.530 -5.635 1.00 0.00 N ATOM 60 CA GLY A 7 12.770 15.536 -4.249 1.00 0.00 C ATOM 61 C GLY A 7 12.582 16.938 -3.706 1.00 0.00 C ATOM 62 O GLY A 7 13.523 17.732 -3.674 1.00 0.00 O ATOM 0 H GLY A 7 13.903 16.232 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.832 14.987 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.506 15.010 -3.641 1.00 0.00 H new ATOM 66 N LYS A 8 11.362 17.247 -3.279 1.00 0.00 N ATOM 67 CA LYS A 8 11.052 18.564 -2.735 1.00 0.00 C ATOM 68 C LYS A 8 9.671 18.573 -2.088 1.00 0.00 C ATOM 69 O LYS A 8 8.708 18.046 -2.646 1.00 0.00 O ATOM 70 CB LYS A 8 11.117 19.622 -3.838 1.00 0.00 C ATOM 71 CG LYS A 8 10.030 19.473 -4.889 1.00 0.00 C ATOM 72 CD LYS A 8 10.181 20.502 -5.997 1.00 0.00 C ATOM 73 CE LYS A 8 9.010 20.454 -6.966 1.00 0.00 C ATOM 74 NZ LYS A 8 9.327 21.130 -8.254 1.00 0.00 N ATOM 0 H LYS A 8 10.571 16.603 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 8 11.794 18.798 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.041 20.611 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.091 19.568 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.069 18.470 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.052 19.582 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.254 21.499 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.110 20.322 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.740 19.416 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.142 20.930 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.503 21.075 -8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.560 22.128 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.139 20.660 -8.702 1.00 0.00 H new ATOM 88 N LYS A 9 9.579 19.176 -0.907 1.00 0.00 N ATOM 89 CA LYS A 9 8.316 19.257 -0.185 1.00 0.00 C ATOM 90 C LYS A 9 7.976 20.705 0.156 1.00 0.00 C ATOM 91 O LYS A 9 8.273 21.181 1.251 1.00 0.00 O ATOM 92 CB LYS A 9 8.383 18.423 1.097 1.00 0.00 C ATOM 93 CG LYS A 9 7.021 18.001 1.620 1.00 0.00 C ATOM 94 CD LYS A 9 7.103 17.511 3.056 1.00 0.00 C ATOM 95 CE LYS A 9 6.962 18.657 4.046 1.00 0.00 C ATOM 96 NZ LYS A 9 5.539 19.048 4.243 1.00 0.00 N ATOM 0 H LYS A 9 10.366 19.616 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 9 7.532 18.860 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.983 17.532 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.897 18.997 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.331 18.842 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.616 17.211 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.319 16.775 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.056 17.007 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.394 18.365 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.529 19.517 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.485 19.832 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.133 19.351 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.003 18.235 4.608 1.00 0.00 H new ATOM 110 N SER A 10 7.350 21.399 -0.789 1.00 0.00 N ATOM 111 CA SER A 10 6.971 22.793 -0.590 1.00 0.00 C ATOM 112 C SER A 10 5.459 22.965 -0.689 1.00 0.00 C ATOM 113 O SER A 10 4.925 23.267 -1.757 1.00 0.00 O ATOM 114 CB SER A 10 7.666 23.685 -1.621 1.00 0.00 C ATOM 115 OG SER A 10 9.065 23.731 -1.395 1.00 0.00 O ATOM 0 H SER A 10 7.094 21.019 -1.700 1.00 0.00 H new ATOM 0 HA SER A 10 7.288 23.090 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.469 23.308 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.253 24.693 -1.572 1.00 0.00 H new ATOM 0 HG SER A 10 9.486 24.306 -2.068 1.00 0.00 H new ATOM 121 N LYS A 11 4.772 22.770 0.431 1.00 0.00 N ATOM 122 CA LYS A 11 3.321 22.903 0.474 1.00 0.00 C ATOM 123 C LYS A 11 2.820 22.937 1.914 1.00 0.00 C ATOM 124 O LYS A 11 3.491 22.456 2.827 1.00 0.00 O ATOM 125 CB LYS A 11 2.660 21.748 -0.281 1.00 0.00 C ATOM 126 CG LYS A 11 1.293 22.094 -0.846 1.00 0.00 C ATOM 127 CD LYS A 11 0.939 21.211 -2.031 1.00 0.00 C ATOM 128 CE LYS A 11 -0.035 21.903 -2.971 1.00 0.00 C ATOM 129 NZ LYS A 11 0.647 22.903 -3.839 1.00 0.00 N ATOM 0 H LYS A 11 5.198 22.519 1.323 1.00 0.00 H new ATOM 0 HA LYS A 11 3.053 23.844 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.313 21.437 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.561 20.895 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.538 21.981 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.280 23.140 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.847 20.949 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.501 20.279 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.529 21.158 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.812 22.398 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.041 23.616 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.406 23.368 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.053 22.424 -4.668 1.00 0.00 H new ATOM 143 N TYR A 12 1.636 23.507 2.110 1.00 0.00 N ATOM 144 CA TYR A 12 1.045 23.604 3.439 1.00 0.00 C ATOM 145 C TYR A 12 0.028 22.489 3.666 1.00 0.00 C ATOM 146 O TYR A 12 -0.322 21.756 2.742 1.00 0.00 O ATOM 147 CB TYR A 12 0.375 24.966 3.625 1.00 0.00 C ATOM 148 CG TYR A 12 -0.484 25.383 2.453 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.058 26.084 1.383 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.839 25.076 2.416 1.00 0.00 C ATOM 151 CE1 TYR A 12 -0.724 26.468 0.310 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.628 25.454 1.346 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.066 26.150 0.297 1.00 0.00 C ATOM 154 OH TYR A 12 -2.849 26.529 -0.770 1.00 0.00 O ATOM 0 H TYR A 12 1.067 23.909 1.365 1.00 0.00 H new ATOM 0 HA TYR A 12 1.844 23.497 4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.240 24.939 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.144 25.721 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.109 26.333 1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.283 24.533 3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.287 27.014 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.679 25.206 1.332 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.770 26.227 -0.624 1.00 0.00 H new ATOM 164 N MET A 13 -0.443 22.370 4.903 1.00 0.00 N ATOM 165 CA MET A 13 -1.422 21.347 5.252 1.00 0.00 C ATOM 166 C MET A 13 -2.470 21.199 4.154 1.00 0.00 C ATOM 167 O MET A 13 -3.000 22.190 3.649 1.00 0.00 O ATOM 168 CB MET A 13 -2.102 21.692 6.579 1.00 0.00 C ATOM 169 CG MET A 13 -2.620 23.119 6.642 1.00 0.00 C ATOM 170 SD MET A 13 -3.945 23.324 7.848 1.00 0.00 S ATOM 171 CE MET A 13 -5.193 22.234 7.168 1.00 0.00 C ATOM 0 H MET A 13 -0.163 22.969 5.680 1.00 0.00 H new ATOM 0 HA MET A 13 -0.896 20.398 5.357 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.932 21.005 6.742 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.394 21.535 7.393 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.798 23.789 6.894 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.982 23.414 5.657 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.183 22.610 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.090 22.195 6.084 1.00 0.00 H new ATOM 0 HE3 MET A 13 -5.066 21.233 7.581 1.00 0.00 H new ATOM 181 N THR A 14 -2.765 19.956 3.786 1.00 0.00 N ATOM 182 CA THR A 14 -3.748 19.680 2.746 1.00 0.00 C ATOM 183 C THR A 14 -4.774 18.656 3.218 1.00 0.00 C ATOM 184 O THR A 14 -4.490 17.797 4.053 1.00 0.00 O ATOM 185 CB THR A 14 -3.076 19.162 1.461 1.00 0.00 C ATOM 186 OG1 THR A 14 -1.954 18.337 1.793 1.00 0.00 O ATOM 187 CG2 THR A 14 -2.620 20.319 0.585 1.00 0.00 C ATOM 0 H THR A 14 -2.337 19.124 4.193 1.00 0.00 H new ATOM 0 HA THR A 14 -4.252 20.622 2.529 1.00 0.00 H new ATOM 0 HB THR A 14 -3.807 18.574 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.533 18.010 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.148 19.929 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.481 20.928 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.904 20.930 1.134 1.00 0.00 H new ATOM 195 N PRO A 15 -5.995 18.745 2.671 1.00 0.00 N ATOM 196 CA PRO A 15 -7.088 17.832 3.021 1.00 0.00 C ATOM 197 C PRO A 15 -6.852 16.419 2.500 1.00 0.00 C ATOM 198 O PRO A 15 -7.401 15.453 3.029 1.00 0.00 O ATOM 199 CB PRO A 15 -8.306 18.458 2.336 1.00 0.00 C ATOM 200 CG PRO A 15 -7.741 19.241 1.201 1.00 0.00 C ATOM 201 CD PRO A 15 -6.404 19.744 1.669 1.00 0.00 C ATOM 0 HA PRO A 15 -7.198 17.722 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.999 17.694 1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.860 19.099 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.634 18.619 0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.397 20.069 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.689 19.807 0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.479 20.741 2.103 1.00 0.00 H new ATOM 209 N MET A 16 -6.031 16.306 1.461 1.00 0.00 N ATOM 210 CA MET A 16 -5.721 15.009 0.870 1.00 0.00 C ATOM 211 C MET A 16 -5.024 14.103 1.881 1.00 0.00 C ATOM 212 O MET A 16 -4.989 12.885 1.714 1.00 0.00 O ATOM 213 CB MET A 16 -4.838 15.186 -0.366 1.00 0.00 C ATOM 214 CG MET A 16 -3.402 15.563 -0.039 1.00 0.00 C ATOM 215 SD MET A 16 -2.226 14.942 -1.257 1.00 0.00 S ATOM 216 CE MET A 16 -2.590 13.188 -1.216 1.00 0.00 C ATOM 0 H MET A 16 -5.569 17.096 1.011 1.00 0.00 H new ATOM 0 HA MET A 16 -6.659 14.539 0.574 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.840 14.259 -0.939 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.271 15.956 -1.004 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.320 16.648 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.142 15.170 0.944 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.663 12.627 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.254 12.974 -0.379 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.074 12.895 -2.147 1.00 0.00 H new ATOM 226 N GLN A 17 -4.472 14.708 2.929 1.00 0.00 N ATOM 227 CA GLN A 17 -3.776 13.955 3.965 1.00 0.00 C ATOM 228 C GLN A 17 -4.717 12.966 4.645 1.00 0.00 C ATOM 229 O GLN A 17 -4.370 11.802 4.846 1.00 0.00 O ATOM 230 CB GLN A 17 -3.181 14.907 5.004 1.00 0.00 C ATOM 231 CG GLN A 17 -2.444 14.197 6.128 1.00 0.00 C ATOM 232 CD GLN A 17 -3.357 13.817 7.277 1.00 0.00 C ATOM 233 OE1 GLN A 17 -3.372 12.667 7.718 1.00 0.00 O ATOM 234 NE2 GLN A 17 -4.126 14.782 7.767 1.00 0.00 N ATOM 0 H GLN A 17 -4.494 15.716 3.082 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.970 13.395 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.494 15.592 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.981 15.512 5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.968 13.299 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.648 14.842 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.081 15.721 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.762 14.585 8.540 1.00 0.00 H new ATOM 243 N GLN A 18 -5.910 13.437 4.996 1.00 0.00 N ATOM 244 CA GLN A 18 -6.900 12.593 5.654 1.00 0.00 C ATOM 245 C GLN A 18 -7.320 11.439 4.749 1.00 0.00 C ATOM 246 O GLN A 18 -7.472 10.304 5.201 1.00 0.00 O ATOM 247 CB GLN A 18 -8.125 13.420 6.047 1.00 0.00 C ATOM 248 CG GLN A 18 -9.178 13.505 4.953 1.00 0.00 C ATOM 249 CD GLN A 18 -10.436 14.219 5.409 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.449 14.873 6.452 1.00 0.00 O ATOM 251 NE2 GLN A 18 -11.502 14.097 4.627 1.00 0.00 N ATOM 0 H GLN A 18 -6.214 14.397 4.836 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.446 12.178 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.575 12.986 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.804 14.428 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.761 14.027 4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.435 12.499 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.446 13.545 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.377 14.555 4.882 1.00 0.00 H new ATOM 260 N LYS A 19 -7.506 11.737 3.467 1.00 0.00 N ATOM 261 CA LYS A 19 -7.907 10.725 2.497 1.00 0.00 C ATOM 262 C LYS A 19 -6.924 9.559 2.488 1.00 0.00 C ATOM 263 O LYS A 19 -7.323 8.397 2.400 1.00 0.00 O ATOM 264 CB LYS A 19 -8.000 11.339 1.098 1.00 0.00 C ATOM 265 CG LYS A 19 -8.929 10.584 0.163 1.00 0.00 C ATOM 266 CD LYS A 19 -8.192 9.495 -0.597 1.00 0.00 C ATOM 267 CE LYS A 19 -9.093 8.821 -1.620 1.00 0.00 C ATOM 268 NZ LYS A 19 -10.189 8.050 -0.970 1.00 0.00 N ATOM 0 H LYS A 19 -7.385 12.671 3.076 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.887 10.348 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.344 12.370 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.003 11.372 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.743 10.141 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.380 11.281 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.326 9.924 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.816 8.751 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.521 9.575 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.499 8.153 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.698 7.497 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.786 7.406 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.849 8.707 -0.507 1.00 0.00 H new ATOM 282 N LEU A 20 -5.637 9.876 2.581 1.00 0.00 N ATOM 283 CA LEU A 20 -4.596 8.854 2.586 1.00 0.00 C ATOM 284 C LEU A 20 -4.893 7.779 3.626 1.00 0.00 C ATOM 285 O LEU A 20 -4.848 6.586 3.330 1.00 0.00 O ATOM 286 CB LEU A 20 -3.232 9.488 2.865 1.00 0.00 C ATOM 287 CG LEU A 20 -2.491 10.049 1.651 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.549 11.167 2.070 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.727 8.945 0.936 1.00 0.00 C ATOM 0 H LEU A 20 -5.290 10.832 2.654 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.577 8.385 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.369 10.294 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.597 8.740 3.340 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.226 10.461 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.030 11.554 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.121 11.969 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.819 10.780 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.206 9.362 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.002 8.503 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.425 8.178 0.601 1.00 0.00 H new ATOM 301 N ASN A 21 -5.197 8.211 4.846 1.00 0.00 N ATOM 302 CA ASN A 21 -5.503 7.285 5.931 1.00 0.00 C ATOM 303 C ASN A 21 -6.763 6.483 5.622 1.00 0.00 C ATOM 304 O ASN A 21 -6.796 5.267 5.804 1.00 0.00 O ATOM 305 CB ASN A 21 -5.679 8.048 7.245 1.00 0.00 C ATOM 306 CG ASN A 21 -5.418 7.177 8.459 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.754 6.144 8.364 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.942 7.590 9.607 1.00 0.00 N ATOM 0 H ASN A 21 -5.238 9.196 5.108 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.668 6.591 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.000 8.901 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.692 8.446 7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.801 7.045 10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.485 8.453 9.639 1.00 0.00 H new ATOM 315 N GLU A 22 -7.798 7.174 5.154 1.00 0.00 N ATOM 316 CA GLU A 22 -9.061 6.525 4.820 1.00 0.00 C ATOM 317 C GLU A 22 -8.828 5.308 3.930 1.00 0.00 C ATOM 318 O GLU A 22 -9.368 4.230 4.180 1.00 0.00 O ATOM 319 CB GLU A 22 -9.997 7.512 4.120 1.00 0.00 C ATOM 320 CG GLU A 22 -10.458 8.653 5.012 1.00 0.00 C ATOM 321 CD GLU A 22 -11.502 8.218 6.022 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.126 7.584 7.030 1.00 0.00 O ATOM 323 OE2 GLU A 22 -12.696 8.512 5.803 1.00 0.00 O ATOM 0 H GLU A 22 -7.787 8.182 4.998 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.526 6.191 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.489 7.926 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.871 6.973 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.599 9.067 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.867 9.451 4.393 1.00 0.00 H new ATOM 330 N VAL A 23 -8.021 5.489 2.889 1.00 0.00 N ATOM 331 CA VAL A 23 -7.717 4.406 1.961 1.00 0.00 C ATOM 332 C VAL A 23 -7.023 3.251 2.674 1.00 0.00 C ATOM 333 O VAL A 23 -7.534 2.131 2.705 1.00 0.00 O ATOM 334 CB VAL A 23 -6.822 4.893 0.805 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.485 3.742 -0.130 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.500 6.025 0.048 1.00 0.00 C ATOM 0 H VAL A 23 -7.566 6.375 2.667 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.667 4.060 1.555 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.891 5.273 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.852 4.105 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.956 2.966 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.405 3.329 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.854 6.357 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.447 5.673 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.685 6.857 0.727 1.00 0.00 H new ATOM 346 N TYR A 24 -5.857 3.530 3.246 1.00 0.00 N ATOM 347 CA TYR A 24 -5.092 2.513 3.957 1.00 0.00 C ATOM 348 C TYR A 24 -6.009 1.627 4.795 1.00 0.00 C ATOM 349 O TYR A 24 -5.928 0.401 4.737 1.00 0.00 O ATOM 350 CB TYR A 24 -4.041 3.170 4.854 1.00 0.00 C ATOM 351 CG TYR A 24 -3.215 2.180 5.644 1.00 0.00 C ATOM 352 CD1 TYR A 24 -3.634 1.733 6.890 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.014 1.692 5.142 1.00 0.00 C ATOM 354 CE1 TYR A 24 -2.882 0.830 7.615 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.256 0.787 5.860 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.694 0.359 7.096 1.00 0.00 C ATOM 357 OH TYR A 24 -0.942 -0.542 7.815 1.00 0.00 O ATOM 0 H TYR A 24 -5.421 4.452 3.231 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.591 1.889 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.376 3.775 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.539 3.849 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.564 2.098 7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.668 2.026 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.222 0.494 8.583 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.326 0.417 5.456 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.318 -1.441 7.709 1.00 0.00 H new ATOM 367 N GLU A 25 -6.882 2.259 5.573 1.00 0.00 N ATOM 368 CA GLU A 25 -7.815 1.529 6.423 1.00 0.00 C ATOM 369 C GLU A 25 -8.773 0.689 5.583 1.00 0.00 C ATOM 370 O GLU A 25 -8.928 -0.510 5.813 1.00 0.00 O ATOM 371 CB GLU A 25 -8.607 2.500 7.301 1.00 0.00 C ATOM 372 CG GLU A 25 -7.925 2.823 8.620 1.00 0.00 C ATOM 373 CD GLU A 25 -8.842 3.544 9.589 1.00 0.00 C ATOM 374 OE1 GLU A 25 -10.028 3.163 9.680 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.373 4.489 10.258 1.00 0.00 O ATOM 0 H GLU A 25 -6.963 3.274 5.632 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.238 0.861 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.769 3.426 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.589 2.074 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.572 1.899 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.047 3.440 8.429 1.00 0.00 H new ATOM 382 N ALA A 26 -9.413 1.328 4.609 1.00 0.00 N ATOM 383 CA ALA A 26 -10.354 0.640 3.734 1.00 0.00 C ATOM 384 C ALA A 26 -9.895 -0.785 3.446 1.00 0.00 C ATOM 385 O ALA A 26 -10.653 -1.740 3.622 1.00 0.00 O ATOM 386 CB ALA A 26 -10.529 1.413 2.435 1.00 0.00 C ATOM 0 H ALA A 26 -9.297 2.321 4.406 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.315 0.588 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.234 0.888 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.911 2.410 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.567 1.496 1.928 1.00 0.00 H new ATOM 392 N VAL A 27 -8.650 -0.923 3.002 1.00 0.00 N ATOM 393 CA VAL A 27 -8.090 -2.232 2.690 1.00 0.00 C ATOM 394 C VAL A 27 -8.084 -3.134 3.919 1.00 0.00 C ATOM 395 O VAL A 27 -8.683 -4.210 3.916 1.00 0.00 O ATOM 396 CB VAL A 27 -6.653 -2.113 2.147 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.088 -3.488 1.824 1.00 0.00 C ATOM 398 CG2 VAL A 27 -6.620 -1.212 0.922 1.00 0.00 C ATOM 0 H VAL A 27 -8.010 -0.144 2.850 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.725 -2.673 1.922 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.028 -1.663 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.073 -3.384 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.075 -4.097 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.711 -3.970 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.598 -1.139 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.259 -1.631 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.980 -0.219 1.191 1.00 0.00 H new ATOM 408 N LYS A 28 -7.402 -2.690 4.969 1.00 0.00 N ATOM 409 CA LYS A 28 -7.318 -3.455 6.207 1.00 0.00 C ATOM 410 C LYS A 28 -8.699 -3.931 6.647 1.00 0.00 C ATOM 411 O LYS A 28 -8.926 -5.126 6.828 1.00 0.00 O ATOM 412 CB LYS A 28 -6.682 -2.609 7.312 1.00 0.00 C ATOM 413 CG LYS A 28 -6.226 -3.419 8.513 1.00 0.00 C ATOM 414 CD LYS A 28 -5.202 -2.662 9.341 1.00 0.00 C ATOM 415 CE LYS A 28 -4.659 -3.517 10.476 1.00 0.00 C ATOM 416 NZ LYS A 28 -5.494 -3.403 11.704 1.00 0.00 N ATOM 0 H LYS A 28 -6.899 -1.803 4.987 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.693 -4.329 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.827 -2.073 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.400 -1.859 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.087 -3.666 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.796 -4.362 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.380 -2.341 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.658 -1.760 9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.620 -4.559 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.637 -3.214 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.196 -4.121 12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.376 -2.456 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.494 -3.552 11.459 1.00 0.00 H new ATOM 430 N ASN A 29 -9.619 -2.987 6.817 1.00 0.00 N ATOM 431 CA ASN A 29 -10.978 -3.310 7.235 1.00 0.00 C ATOM 432 C ASN A 29 -11.636 -4.272 6.251 1.00 0.00 C ATOM 433 O ASN A 29 -12.260 -5.255 6.650 1.00 0.00 O ATOM 434 CB ASN A 29 -11.814 -2.034 7.355 1.00 0.00 C ATOM 435 CG ASN A 29 -11.276 -1.087 8.410 1.00 0.00 C ATOM 436 OD1 ASN A 29 -10.065 -0.913 8.545 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.178 -0.470 9.165 1.00 0.00 N ATOM 0 H ASN A 29 -9.448 -1.992 6.672 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.926 -3.795 8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.836 -1.525 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.843 -2.299 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.877 0.179 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.172 -0.645 9.018 1.00 0.00 H new ATOM 444 N TYR A 30 -11.491 -3.982 4.963 1.00 0.00 N ATOM 445 CA TYR A 30 -12.072 -4.820 3.920 1.00 0.00 C ATOM 446 C TYR A 30 -12.031 -6.292 4.319 1.00 0.00 C ATOM 447 O TYR A 30 -11.058 -6.761 4.911 1.00 0.00 O ATOM 448 CB TYR A 30 -11.329 -4.616 2.599 1.00 0.00 C ATOM 449 CG TYR A 30 -11.990 -5.296 1.421 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.662 -6.600 1.074 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.941 -4.633 0.656 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.263 -7.225 -0.002 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.548 -5.251 -0.421 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.205 -6.547 -0.746 1.00 0.00 C ATOM 455 OH TYR A 30 -13.807 -7.165 -1.818 1.00 0.00 O ATOM 0 H TYR A 30 -10.976 -3.173 4.616 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.114 -4.526 3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.253 -3.548 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.312 -4.994 2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.925 -7.135 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -13.211 -3.618 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.996 -8.240 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -14.287 -4.722 -1.005 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.447 -6.550 -2.233 1.00 0.00 H new ATOM 465 N THR A 31 -13.095 -7.018 3.989 1.00 0.00 N ATOM 466 CA THR A 31 -13.182 -8.436 4.311 1.00 0.00 C ATOM 467 C THR A 31 -13.895 -9.208 3.207 1.00 0.00 C ATOM 468 O THR A 31 -14.349 -8.625 2.222 1.00 0.00 O ATOM 469 CB THR A 31 -13.923 -8.665 5.642 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.908 -7.644 5.836 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.949 -8.665 6.811 1.00 0.00 C ATOM 0 H THR A 31 -13.909 -6.646 3.499 1.00 0.00 H new ATOM 0 HA THR A 31 -12.160 -8.802 4.405 1.00 0.00 H new ATOM 0 HB THR A 31 -14.412 -9.638 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.376 -7.798 6.683 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.495 -8.828 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.218 -9.462 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.435 -7.705 6.856 1.00 0.00 H new ATOM 479 N ASP A 32 -13.989 -10.522 3.377 1.00 0.00 N ATOM 480 CA ASP A 32 -14.649 -11.375 2.394 1.00 0.00 C ATOM 481 C ASP A 32 -16.166 -11.267 2.513 1.00 0.00 C ATOM 482 O ASP A 32 -16.684 -10.500 3.326 1.00 0.00 O ATOM 483 CB ASP A 32 -14.213 -12.830 2.575 1.00 0.00 C ATOM 484 CG ASP A 32 -14.356 -13.639 1.302 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.631 -13.347 0.328 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.192 -14.566 1.279 1.00 0.00 O ATOM 0 H ASP A 32 -13.617 -11.020 4.186 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.355 -11.037 1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.174 -12.857 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.809 -13.290 3.363 1.00 0.00 H new ATOM 491 N LYS A 33 -16.875 -12.039 1.695 1.00 0.00 N ATOM 492 CA LYS A 33 -18.333 -12.031 1.708 1.00 0.00 C ATOM 493 C LYS A 33 -18.868 -12.434 3.078 1.00 0.00 C ATOM 494 O LYS A 33 -20.052 -12.262 3.367 1.00 0.00 O ATOM 495 CB LYS A 33 -18.877 -12.979 0.637 1.00 0.00 C ATOM 496 CG LYS A 33 -18.561 -12.540 -0.782 1.00 0.00 C ATOM 497 CD LYS A 33 -19.510 -13.171 -1.787 1.00 0.00 C ATOM 498 CE LYS A 33 -20.792 -12.365 -1.925 1.00 0.00 C ATOM 499 NZ LYS A 33 -21.664 -12.498 -0.725 1.00 0.00 N ATOM 0 H LYS A 33 -16.463 -12.678 1.015 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.668 -11.017 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.464 -13.974 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.958 -13.060 0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.627 -11.454 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.535 -12.813 -1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.018 -13.244 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.750 -14.187 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -20.545 -11.315 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -21.337 -12.698 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -22.656 -12.350 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.555 -13.450 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.391 -11.787 -0.017 1.00 0.00 H new ATOM 513 N ARG A 34 -17.988 -12.970 3.917 1.00 0.00 N ATOM 514 CA ARG A 34 -18.372 -13.397 5.257 1.00 0.00 C ATOM 515 C ARG A 34 -17.743 -12.496 6.316 1.00 0.00 C ATOM 516 O ARG A 34 -18.430 -11.701 6.957 1.00 0.00 O ATOM 517 CB ARG A 34 -17.952 -14.849 5.493 1.00 0.00 C ATOM 518 CG ARG A 34 -18.574 -15.829 4.512 1.00 0.00 C ATOM 519 CD ARG A 34 -18.163 -17.261 4.819 1.00 0.00 C ATOM 520 NE ARG A 34 -18.968 -18.232 4.084 1.00 0.00 N ATOM 521 CZ ARG A 34 -18.711 -18.604 2.835 1.00 0.00 C ATOM 522 NH1 ARG A 34 -17.675 -18.091 2.186 1.00 0.00 N ATOM 523 NH2 ARG A 34 -19.490 -19.493 2.233 1.00 0.00 N ATOM 0 H ARG A 34 -17.004 -13.119 3.693 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.456 -13.322 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.866 -14.920 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.228 -15.138 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -19.660 -15.745 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -18.271 -15.572 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.111 -17.398 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.261 -17.445 5.889 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.772 -18.647 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.072 -17.408 2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.481 -18.379 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.287 -19.891 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.292 -19.778 1.274 1.00 0.00 H new ATOM 537 N GLY A 35 -16.432 -12.627 6.495 1.00 0.00 N ATOM 538 CA GLY A 35 -15.733 -11.820 7.478 1.00 0.00 C ATOM 539 C GLY A 35 -14.310 -12.289 7.708 1.00 0.00 C ATOM 540 O GLY A 35 -13.833 -12.314 8.842 1.00 0.00 O ATOM 0 H GLY A 35 -15.842 -13.278 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.721 -10.781 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.279 -11.849 8.421 1.00 0.00 H new ATOM 544 N ARG A 36 -13.631 -12.665 6.629 1.00 0.00 N ATOM 545 CA ARG A 36 -12.256 -13.140 6.719 1.00 0.00 C ATOM 546 C ARG A 36 -11.274 -12.036 6.337 1.00 0.00 C ATOM 547 O ARG A 36 -11.167 -11.663 5.169 1.00 0.00 O ATOM 548 CB ARG A 36 -12.052 -14.354 5.811 1.00 0.00 C ATOM 549 CG ARG A 36 -10.705 -15.034 5.997 1.00 0.00 C ATOM 550 CD ARG A 36 -10.638 -15.787 7.316 1.00 0.00 C ATOM 551 NE ARG A 36 -9.592 -16.806 7.312 1.00 0.00 N ATOM 552 CZ ARG A 36 -9.609 -17.875 6.524 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.614 -18.064 5.680 1.00 0.00 N ATOM 554 NH2 ARG A 36 -8.620 -18.757 6.579 1.00 0.00 N ATOM 0 H ARG A 36 -14.011 -12.650 5.683 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.066 -13.432 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.844 -15.078 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.151 -14.041 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.528 -15.725 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.912 -14.287 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.454 -15.082 8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.601 -16.257 7.514 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.805 -16.690 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.376 -17.388 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.625 -18.886 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.845 -18.615 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.634 -19.578 5.973 1.00 0.00 H new ATOM 568 N ARG A 37 -10.560 -11.516 7.330 1.00 0.00 N ATOM 569 CA ARG A 37 -9.588 -10.454 7.099 1.00 0.00 C ATOM 570 C ARG A 37 -8.445 -10.946 6.216 1.00 0.00 C ATOM 571 O ARG A 37 -7.796 -11.947 6.522 1.00 0.00 O ATOM 572 CB ARG A 37 -9.035 -9.941 8.430 1.00 0.00 C ATOM 573 CG ARG A 37 -8.579 -8.492 8.381 1.00 0.00 C ATOM 574 CD ARG A 37 -9.751 -7.534 8.524 1.00 0.00 C ATOM 575 NE ARG A 37 -9.345 -6.253 9.096 1.00 0.00 N ATOM 576 CZ ARG A 37 -8.885 -6.115 10.334 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.772 -7.172 11.126 1.00 0.00 N ATOM 578 NH2 ARG A 37 -8.535 -4.916 10.783 1.00 0.00 N ATOM 0 H ARG A 37 -10.636 -11.813 8.303 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.095 -9.637 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.802 -10.046 9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.195 -10.568 8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.859 -8.309 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.066 -8.303 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.204 -7.367 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.515 -7.987 9.156 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.419 -5.419 8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.039 -8.096 10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.418 -7.062 12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.619 -4.100 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.182 -4.811 11.734 1.00 0.00 H new ATOM 592 N LEU A 38 -8.204 -10.236 5.120 1.00 0.00 N ATOM 593 CA LEU A 38 -7.139 -10.600 4.191 1.00 0.00 C ATOM 594 C LEU A 38 -5.829 -9.915 4.569 1.00 0.00 C ATOM 595 O LEU A 38 -4.770 -10.542 4.580 1.00 0.00 O ATOM 596 CB LEU A 38 -7.530 -10.222 2.762 1.00 0.00 C ATOM 597 CG LEU A 38 -8.991 -10.466 2.379 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.870 -9.329 2.876 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.128 -10.629 0.873 1.00 0.00 C ATOM 0 H LEU A 38 -8.731 -9.405 4.852 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.994 -11.679 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.308 -9.165 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.896 -10.781 2.073 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.322 -11.389 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.906 -9.520 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.796 -9.260 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.539 -8.391 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.174 -10.802 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.779 -9.724 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.530 -11.478 0.543 1.00 0.00 H new ATOM 611 N SER A 39 -5.910 -8.626 4.881 1.00 0.00 N ATOM 612 CA SER A 39 -4.731 -7.855 5.259 1.00 0.00 C ATOM 613 C SER A 39 -4.031 -8.486 6.459 1.00 0.00 C ATOM 614 O SER A 39 -2.894 -8.142 6.779 1.00 0.00 O ATOM 615 CB SER A 39 -5.121 -6.411 5.582 1.00 0.00 C ATOM 616 OG SER A 39 -5.268 -5.645 4.399 1.00 0.00 O ATOM 0 H SER A 39 -6.780 -8.093 4.880 1.00 0.00 H new ATOM 0 HA SER A 39 -4.041 -7.857 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.055 -6.400 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.360 -5.960 6.219 1.00 0.00 H new ATOM 0 HG SER A 39 -5.044 -4.709 4.585 1.00 0.00 H new ATOM 622 N ALA A 40 -4.720 -9.411 7.119 1.00 0.00 N ATOM 623 CA ALA A 40 -4.165 -10.092 8.282 1.00 0.00 C ATOM 624 C ALA A 40 -2.914 -10.881 7.911 1.00 0.00 C ATOM 625 O ALA A 40 -1.982 -10.995 8.708 1.00 0.00 O ATOM 626 CB ALA A 40 -5.207 -11.012 8.902 1.00 0.00 C ATOM 0 H ALA A 40 -5.664 -9.706 6.868 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.882 -9.336 9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.779 -11.514 9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.072 -10.425 9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.518 -11.756 8.169 1.00 0.00 H new ATOM 632 N ILE A 41 -2.900 -11.423 6.698 1.00 0.00 N ATOM 633 CA ILE A 41 -1.762 -12.201 6.223 1.00 0.00 C ATOM 634 C ILE A 41 -0.761 -11.317 5.487 1.00 0.00 C ATOM 635 O ILE A 41 0.255 -11.797 4.984 1.00 0.00 O ATOM 636 CB ILE A 41 -2.210 -13.340 5.288 1.00 0.00 C ATOM 637 CG1 ILE A 41 -1.021 -14.235 4.933 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.847 -12.771 4.028 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.407 -15.670 4.655 1.00 0.00 C ATOM 0 H ILE A 41 -3.663 -11.338 6.027 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.284 -12.632 7.103 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.954 -13.945 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.518 -13.826 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.302 -14.213 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.159 -13.588 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.716 -12.171 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.123 -12.146 3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.515 -16.246 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.883 -16.096 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.102 -15.704 3.816 1.00 0.00 H new ATOM 651 N PHE A 42 -1.054 -10.022 5.429 1.00 0.00 N ATOM 652 CA PHE A 42 -0.180 -9.070 4.755 1.00 0.00 C ATOM 653 C PHE A 42 0.117 -7.873 5.654 1.00 0.00 C ATOM 654 O PHE A 42 0.397 -6.774 5.173 1.00 0.00 O ATOM 655 CB PHE A 42 -0.819 -8.594 3.448 1.00 0.00 C ATOM 656 CG PHE A 42 -0.722 -9.596 2.334 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.475 -9.792 1.663 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.826 -10.343 1.957 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.566 -10.713 0.636 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.741 -11.265 0.932 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.542 -11.451 0.271 1.00 0.00 C ATOM 0 H PHE A 42 -1.890 -9.608 5.841 1.00 0.00 H new ATOM 0 HA PHE A 42 0.759 -9.575 4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.869 -8.364 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.339 -7.667 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.346 -9.219 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.765 -10.203 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.504 -10.855 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.610 -11.840 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.472 -12.172 -0.530 1.00 0.00 H new ATOM 671 N LEU A 43 0.054 -8.094 6.962 1.00 0.00 N ATOM 672 CA LEU A 43 0.316 -7.035 7.931 1.00 0.00 C ATOM 673 C LEU A 43 1.807 -6.722 8.006 1.00 0.00 C ATOM 674 O LEU A 43 2.251 -5.661 7.568 1.00 0.00 O ATOM 675 CB LEU A 43 -0.202 -7.440 9.312 1.00 0.00 C ATOM 676 CG LEU A 43 -1.647 -7.052 9.627 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.045 -7.553 11.007 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.826 -5.543 9.534 1.00 0.00 C ATOM 0 H LEU A 43 -0.176 -8.997 7.377 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.209 -6.138 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.108 -8.521 9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.446 -6.993 10.066 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.298 -7.522 8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.076 -7.268 11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.955 -8.639 11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.389 -7.112 11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.860 -5.285 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.164 -5.053 10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.582 -5.209 8.526 1.00 0.00 H new ATOM 690 N ARG A 44 2.575 -7.654 8.562 1.00 0.00 N ATOM 691 CA ARG A 44 4.016 -7.478 8.693 1.00 0.00 C ATOM 692 C ARG A 44 4.756 -8.760 8.322 1.00 0.00 C ATOM 693 O ARG A 44 4.188 -9.851 8.362 1.00 0.00 O ATOM 694 CB ARG A 44 4.373 -7.065 10.122 1.00 0.00 C ATOM 695 CG ARG A 44 3.965 -5.642 10.465 1.00 0.00 C ATOM 696 CD ARG A 44 4.172 -5.343 11.942 1.00 0.00 C ATOM 697 NE ARG A 44 3.253 -6.101 12.787 1.00 0.00 N ATOM 698 CZ ARG A 44 3.301 -6.095 14.114 1.00 0.00 C ATOM 699 NH1 ARG A 44 4.220 -5.376 14.745 1.00 0.00 N ATOM 700 NH2 ARG A 44 2.430 -6.811 14.814 1.00 0.00 N ATOM 0 H ARG A 44 2.223 -8.538 8.929 1.00 0.00 H new ATOM 0 HA ARG A 44 4.325 -6.689 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.892 -7.750 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.449 -7.170 10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.547 -4.941 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.917 -5.490 10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.199 -5.580 12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.032 -4.277 12.119 1.00 0.00 H new ATOM 0 HE ARG A 44 2.535 -6.666 12.333 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.892 -4.826 14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.254 -5.373 15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.723 -7.367 14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.468 -6.806 15.833 1.00 0.00 H new ATOM 714 N LEU A 45 6.027 -8.619 7.961 1.00 0.00 N ATOM 715 CA LEU A 45 6.846 -9.766 7.583 1.00 0.00 C ATOM 716 C LEU A 45 7.938 -10.020 8.617 1.00 0.00 C ATOM 717 O LEU A 45 8.367 -9.119 9.337 1.00 0.00 O ATOM 718 CB LEU A 45 7.474 -9.536 6.207 1.00 0.00 C ATOM 719 CG LEU A 45 8.306 -8.263 6.053 1.00 0.00 C ATOM 720 CD1 LEU A 45 9.432 -8.479 5.053 1.00 0.00 C ATOM 721 CD2 LEU A 45 7.425 -7.099 5.623 1.00 0.00 C ATOM 0 H LEU A 45 6.512 -7.723 7.922 1.00 0.00 H new ATOM 0 HA LEU A 45 6.201 -10.644 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.108 -10.391 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.676 -9.517 5.464 1.00 0.00 H new ATOM 0 HG LEU A 45 8.747 -8.021 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.014 -7.562 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.079 -9.284 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.011 -8.746 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.034 -6.201 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.955 -7.332 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.654 -6.929 6.375 1.00 0.00 H new ATOM 733 N PRO A 46 8.401 -11.277 8.692 1.00 0.00 N ATOM 734 CA PRO A 46 9.451 -11.678 9.633 1.00 0.00 C ATOM 735 C PRO A 46 10.811 -11.095 9.267 1.00 0.00 C ATOM 736 O PRO A 46 11.071 -10.782 8.105 1.00 0.00 O ATOM 737 CB PRO A 46 9.473 -13.204 9.509 1.00 0.00 C ATOM 738 CG PRO A 46 8.944 -13.481 8.144 1.00 0.00 C ATOM 739 CD PRO A 46 7.935 -12.402 7.864 1.00 0.00 C ATOM 0 HA PRO A 46 9.251 -11.321 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.483 -13.596 9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.856 -13.672 10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.745 -13.467 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.483 -14.468 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.910 -12.139 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.927 -12.713 8.139 1.00 0.00 H new ATOM 747 N SER A 47 11.676 -10.950 10.266 1.00 0.00 N ATOM 748 CA SER A 47 13.009 -10.401 10.049 1.00 0.00 C ATOM 749 C SER A 47 13.804 -11.270 9.080 1.00 0.00 C ATOM 750 O SER A 47 13.490 -12.444 8.880 1.00 0.00 O ATOM 751 CB SER A 47 13.758 -10.284 11.378 1.00 0.00 C ATOM 752 OG SER A 47 13.509 -11.408 12.204 1.00 0.00 O ATOM 0 H SER A 47 11.477 -11.205 11.233 1.00 0.00 H new ATOM 0 HA SER A 47 12.899 -9.408 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.828 -10.197 11.190 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.450 -9.374 11.894 1.00 0.00 H new ATOM 0 HG SER A 47 14.000 -11.310 13.046 1.00 0.00 H new ATOM 758 N ARG A 48 14.836 -10.685 8.480 1.00 0.00 N ATOM 759 CA ARG A 48 15.676 -11.405 7.530 1.00 0.00 C ATOM 760 C ARG A 48 16.359 -12.594 8.201 1.00 0.00 C ATOM 761 O ARG A 48 16.325 -13.712 7.688 1.00 0.00 O ATOM 762 CB ARG A 48 16.729 -10.468 6.935 1.00 0.00 C ATOM 763 CG ARG A 48 17.573 -9.758 7.981 1.00 0.00 C ATOM 764 CD ARG A 48 18.358 -8.605 7.375 1.00 0.00 C ATOM 765 NE ARG A 48 19.586 -9.059 6.728 1.00 0.00 N ATOM 766 CZ ARG A 48 20.506 -8.235 6.238 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.337 -6.923 6.321 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.597 -8.724 5.664 1.00 0.00 N ATOM 0 H ARG A 48 15.110 -9.715 8.635 1.00 0.00 H new ATOM 0 HA ARG A 48 15.038 -11.778 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.385 -11.041 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.231 -9.723 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.929 -9.383 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 48 18.262 -10.469 8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 48 17.735 -8.086 6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.604 -7.885 8.155 1.00 0.00 H new ATOM 0 HE ARG A 48 19.746 -10.063 6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 48 19.499 -6.544 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.045 -6.293 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.730 -9.733 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.303 -8.091 5.288 1.00 0.00 H new ATOM 782 N SER A 49 16.979 -12.343 9.349 1.00 0.00 N ATOM 783 CA SER A 49 17.674 -13.391 10.088 1.00 0.00 C ATOM 784 C SER A 49 16.804 -14.638 10.210 1.00 0.00 C ATOM 785 O SER A 49 17.279 -15.759 10.030 1.00 0.00 O ATOM 786 CB SER A 49 18.065 -12.890 11.480 1.00 0.00 C ATOM 787 OG SER A 49 16.946 -12.350 12.161 1.00 0.00 O ATOM 0 H SER A 49 17.015 -11.423 9.788 1.00 0.00 H new ATOM 0 HA SER A 49 18.577 -13.652 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.486 -13.711 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.842 -12.131 11.392 1.00 0.00 H new ATOM 0 HG SER A 49 17.222 -12.039 13.048 1.00 0.00 H new ATOM 793 N GLU A 50 15.526 -14.433 10.517 1.00 0.00 N ATOM 794 CA GLU A 50 14.590 -15.540 10.664 1.00 0.00 C ATOM 795 C GLU A 50 14.232 -16.134 9.304 1.00 0.00 C ATOM 796 O GLU A 50 14.371 -17.338 9.084 1.00 0.00 O ATOM 797 CB GLU A 50 13.320 -15.072 11.378 1.00 0.00 C ATOM 798 CG GLU A 50 13.417 -15.130 12.893 1.00 0.00 C ATOM 799 CD GLU A 50 13.320 -16.545 13.430 1.00 0.00 C ATOM 800 OE1 GLU A 50 12.340 -17.241 13.091 1.00 0.00 O ATOM 801 OE2 GLU A 50 14.222 -16.956 14.189 1.00 0.00 O ATOM 0 H GLU A 50 15.117 -13.511 10.668 1.00 0.00 H new ATOM 0 HA GLU A 50 15.072 -16.312 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 50 13.099 -14.048 11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.482 -15.688 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.362 -14.689 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.621 -14.525 13.328 1.00 0.00 H new ATOM 808 N LEU A 51 13.769 -15.282 8.396 1.00 0.00 N ATOM 809 CA LEU A 51 13.390 -15.721 7.058 1.00 0.00 C ATOM 810 C LEU A 51 14.073 -14.870 5.992 1.00 0.00 C ATOM 811 O LEU A 51 13.486 -13.944 5.432 1.00 0.00 O ATOM 812 CB LEU A 51 11.872 -15.651 6.888 1.00 0.00 C ATOM 813 CG LEU A 51 11.260 -16.648 5.903 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.130 -18.021 6.544 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.905 -16.154 5.416 1.00 0.00 C ATOM 0 H LEU A 51 13.647 -14.283 8.562 1.00 0.00 H new ATOM 0 HA LEU A 51 13.716 -16.754 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.410 -15.804 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.609 -14.644 6.565 1.00 0.00 H new ATOM 0 HG LEU A 51 11.924 -16.733 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.693 -18.717 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.116 -18.378 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.488 -17.953 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.485 -16.876 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.233 -16.039 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.026 -15.193 4.917 1.00 0.00 H new ATOM 827 N PRO A 52 15.342 -15.191 5.701 1.00 0.00 N ATOM 828 CA PRO A 52 16.131 -14.470 4.698 1.00 0.00 C ATOM 829 C PRO A 52 15.638 -14.727 3.278 1.00 0.00 C ATOM 830 O PRO A 52 15.615 -13.820 2.446 1.00 0.00 O ATOM 831 CB PRO A 52 17.542 -15.034 4.884 1.00 0.00 C ATOM 832 CG PRO A 52 17.335 -16.388 5.470 1.00 0.00 C ATOM 833 CD PRO A 52 16.104 -16.284 6.329 1.00 0.00 C ATOM 0 HA PRO A 52 16.068 -13.390 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.074 -15.091 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.136 -14.403 5.545 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.203 -17.136 4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.198 -16.694 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.539 -17.216 6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.355 -16.056 7.365 1.00 0.00 H new ATOM 841 N ASP A 53 15.245 -15.967 3.009 1.00 0.00 N ATOM 842 CA ASP A 53 14.750 -16.342 1.689 1.00 0.00 C ATOM 843 C ASP A 53 13.818 -15.270 1.133 1.00 0.00 C ATOM 844 O ASP A 53 13.769 -15.042 -0.075 1.00 0.00 O ATOM 845 CB ASP A 53 14.021 -17.685 1.758 1.00 0.00 C ATOM 846 CG ASP A 53 14.912 -18.803 2.263 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.042 -18.939 1.750 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.479 -19.540 3.173 1.00 0.00 O ATOM 0 H ASP A 53 15.259 -16.729 3.687 1.00 0.00 H new ATOM 0 HA ASP A 53 15.605 -16.436 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.154 -17.591 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.646 -17.943 0.768 1.00 0.00 H new ATOM 853 N TYR A 54 13.078 -14.618 2.023 1.00 0.00 N ATOM 854 CA TYR A 54 12.144 -13.572 1.621 1.00 0.00 C ATOM 855 C TYR A 54 12.877 -12.418 0.945 1.00 0.00 C ATOM 856 O TYR A 54 12.483 -11.961 -0.128 1.00 0.00 O ATOM 857 CB TYR A 54 11.369 -13.058 2.835 1.00 0.00 C ATOM 858 CG TYR A 54 10.228 -12.132 2.477 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.472 -10.852 1.996 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.907 -12.538 2.619 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.433 -10.002 1.668 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.862 -11.696 2.293 1.00 0.00 C ATOM 863 CZ TYR A 54 8.130 -10.429 1.818 1.00 0.00 C ATOM 864 OH TYR A 54 7.092 -9.586 1.492 1.00 0.00 O ATOM 0 H TYR A 54 13.107 -14.795 3.027 1.00 0.00 H new ATOM 0 HA TYR A 54 11.442 -14.001 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.975 -13.909 3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.056 -12.534 3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.491 -10.515 1.876 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.694 -13.529 2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.640 -9.009 1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.841 -12.028 2.409 1.00 0.00 H new ATOM 0 HH TYR A 54 6.239 -10.040 1.655 1.00 0.00 H new ATOM 874 N TYR A 55 13.946 -11.951 1.581 1.00 0.00 N ATOM 875 CA TYR A 55 14.734 -10.848 1.043 1.00 0.00 C ATOM 876 C TYR A 55 15.492 -11.280 -0.209 1.00 0.00 C ATOM 877 O TYR A 55 15.829 -10.456 -1.060 1.00 0.00 O ATOM 878 CB TYR A 55 15.718 -10.336 2.097 1.00 0.00 C ATOM 879 CG TYR A 55 15.067 -9.506 3.180 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.429 -10.109 4.257 1.00 0.00 C ATOM 881 CD2 TYR A 55 15.090 -8.117 3.127 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.832 -9.354 5.248 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.497 -7.355 4.115 1.00 0.00 C ATOM 884 CZ TYR A 55 13.869 -7.978 5.173 1.00 0.00 C ATOM 885 OH TYR A 55 13.277 -7.222 6.159 1.00 0.00 O ATOM 0 H TYR A 55 14.287 -12.319 2.469 1.00 0.00 H new ATOM 0 HA TYR A 55 14.050 -10.044 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.221 -11.187 2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.486 -9.739 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.399 -11.187 4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.580 -7.625 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.339 -9.839 6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.525 -6.277 4.059 1.00 0.00 H new ATOM 0 HH TYR A 55 13.394 -6.270 5.956 1.00 0.00 H new ATOM 895 N LEU A 56 15.756 -12.577 -0.314 1.00 0.00 N ATOM 896 CA LEU A 56 16.473 -13.121 -1.462 1.00 0.00 C ATOM 897 C LEU A 56 15.598 -13.099 -2.711 1.00 0.00 C ATOM 898 O LEU A 56 15.988 -12.560 -3.748 1.00 0.00 O ATOM 899 CB LEU A 56 16.931 -14.551 -1.172 1.00 0.00 C ATOM 900 CG LEU A 56 18.139 -14.694 -0.245 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.354 -16.152 0.131 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.386 -14.122 -0.903 1.00 0.00 C ATOM 0 H LEU A 56 15.485 -13.272 0.382 1.00 0.00 H new ATOM 0 HA LEU A 56 17.347 -12.496 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.095 -15.097 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.166 -15.035 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 56 17.942 -14.130 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.218 -16.234 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.469 -16.530 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.530 -16.738 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.236 -14.232 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.586 -14.658 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.230 -13.065 -1.121 1.00 0.00 H new ATOM 914 N THR A 57 14.410 -13.687 -2.606 1.00 0.00 N ATOM 915 CA THR A 57 13.478 -13.734 -3.726 1.00 0.00 C ATOM 916 C THR A 57 13.018 -12.335 -4.118 1.00 0.00 C ATOM 917 O THR A 57 13.309 -11.861 -5.217 1.00 0.00 O ATOM 918 CB THR A 57 12.244 -14.594 -3.394 1.00 0.00 C ATOM 919 OG1 THR A 57 12.646 -15.937 -3.102 1.00 0.00 O ATOM 920 CG2 THR A 57 11.258 -14.595 -4.552 1.00 0.00 C ATOM 0 H THR A 57 14.071 -14.137 -1.756 1.00 0.00 H new ATOM 0 HA THR A 57 14.012 -14.185 -4.562 1.00 0.00 H new ATOM 0 HB THR A 57 11.754 -14.164 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.106 -16.286 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.395 -15.209 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.931 -13.575 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.741 -15.002 -5.440 1.00 0.00 H new ATOM 928 N ILE A 58 12.300 -11.678 -3.213 1.00 0.00 N ATOM 929 CA ILE A 58 11.802 -10.331 -3.465 1.00 0.00 C ATOM 930 C ILE A 58 12.946 -9.324 -3.519 1.00 0.00 C ATOM 931 O ILE A 58 13.757 -9.237 -2.597 1.00 0.00 O ATOM 932 CB ILE A 58 10.797 -9.892 -2.384 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.473 -10.641 -2.554 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.573 -8.389 -2.449 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.643 -12.132 -2.744 1.00 0.00 C ATOM 0 H ILE A 58 12.050 -12.056 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 58 11.297 -10.356 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 58 11.209 -10.137 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.849 -10.463 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.941 -10.232 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.860 -8.094 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.519 -7.873 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.179 -8.122 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.664 -12.598 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.240 -12.319 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.147 -12.554 -1.875 1.00 0.00 H new ATOM 947 N LYS A 59 13.003 -8.561 -4.606 1.00 0.00 N ATOM 948 CA LYS A 59 14.045 -7.556 -4.781 1.00 0.00 C ATOM 949 C LYS A 59 13.903 -6.440 -3.751 1.00 0.00 C ATOM 950 O LYS A 59 14.867 -6.075 -3.078 1.00 0.00 O ATOM 951 CB LYS A 59 13.985 -6.971 -6.194 1.00 0.00 C ATOM 952 CG LYS A 59 14.379 -7.959 -7.279 1.00 0.00 C ATOM 953 CD LYS A 59 15.008 -7.257 -8.470 1.00 0.00 C ATOM 954 CE LYS A 59 15.253 -8.222 -9.620 1.00 0.00 C ATOM 955 NZ LYS A 59 13.989 -8.583 -10.320 1.00 0.00 N ATOM 0 H LYS A 59 12.340 -8.620 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 59 15.011 -8.040 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.973 -6.615 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.643 -6.104 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.081 -8.687 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.499 -8.513 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.356 -6.450 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.951 -6.801 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.946 -7.772 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.729 -9.126 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.208 -9.160 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.378 -9.126 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.496 -7.716 -10.616 1.00 0.00 H new ATOM 969 N LYS A 60 12.694 -5.902 -3.632 1.00 0.00 N ATOM 970 CA LYS A 60 12.424 -4.829 -2.682 1.00 0.00 C ATOM 971 C LYS A 60 11.253 -5.190 -1.772 1.00 0.00 C ATOM 972 O LYS A 60 10.090 -5.156 -2.174 1.00 0.00 O ATOM 973 CB LYS A 60 12.123 -3.526 -3.425 1.00 0.00 C ATOM 974 CG LYS A 60 11.132 -3.690 -4.564 1.00 0.00 C ATOM 975 CD LYS A 60 10.926 -2.386 -5.316 1.00 0.00 C ATOM 976 CE LYS A 60 12.060 -2.120 -6.294 1.00 0.00 C ATOM 977 NZ LYS A 60 13.183 -1.381 -5.654 1.00 0.00 N ATOM 0 H LYS A 60 11.885 -6.192 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 60 13.312 -4.692 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.732 -2.796 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.054 -3.120 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.491 -4.455 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.177 -4.038 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.980 -2.422 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.856 -1.562 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.427 -3.067 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.683 -1.545 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.374 -0.509 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.926 -1.139 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.034 -1.978 -5.651 1.00 0.00 H new ATOM 991 N PRO A 61 11.566 -5.542 -0.516 1.00 0.00 N ATOM 992 CA PRO A 61 10.554 -5.913 0.477 1.00 0.00 C ATOM 993 C PRO A 61 9.709 -4.723 0.917 1.00 0.00 C ATOM 994 O PRO A 61 10.207 -3.801 1.562 1.00 0.00 O ATOM 995 CB PRO A 61 11.384 -6.442 1.649 1.00 0.00 C ATOM 996 CG PRO A 61 12.707 -5.772 1.509 1.00 0.00 C ATOM 997 CD PRO A 61 12.931 -5.604 0.032 1.00 0.00 C ATOM 0 HA PRO A 61 9.841 -6.636 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.918 -6.202 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.483 -7.527 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.712 -4.807 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.498 -6.372 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.494 -4.697 -0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.494 -6.438 -0.386 1.00 0.00 H new ATOM 1005 N MET A 62 8.428 -4.749 0.564 1.00 0.00 N ATOM 1006 CA MET A 62 7.513 -3.672 0.924 1.00 0.00 C ATOM 1007 C MET A 62 6.546 -4.122 2.014 1.00 0.00 C ATOM 1008 O MET A 62 5.851 -5.127 1.865 1.00 0.00 O ATOM 1009 CB MET A 62 6.733 -3.204 -0.305 1.00 0.00 C ATOM 1010 CG MET A 62 5.480 -2.414 0.035 1.00 0.00 C ATOM 1011 SD MET A 62 4.996 -1.278 -1.279 1.00 0.00 S ATOM 1012 CE MET A 62 6.177 0.047 -1.033 1.00 0.00 C ATOM 0 H MET A 62 8.000 -5.504 0.029 1.00 0.00 H new ATOM 0 HA MET A 62 8.104 -2.840 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.384 -2.588 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.454 -4.073 -0.901 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.661 -3.106 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.648 -1.851 0.953 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.469 0.458 -1.999 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.723 0.831 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.059 -0.341 -0.523 1.00 0.00 H new ATOM 1022 N ASP A 63 6.507 -3.372 3.110 1.00 0.00 N ATOM 1023 CA ASP A 63 5.624 -3.693 4.225 1.00 0.00 C ATOM 1024 C ASP A 63 4.538 -2.633 4.382 1.00 0.00 C ATOM 1025 O ASP A 63 4.712 -1.487 3.970 1.00 0.00 O ATOM 1026 CB ASP A 63 6.427 -3.814 5.521 1.00 0.00 C ATOM 1027 CG ASP A 63 7.314 -2.610 5.767 1.00 0.00 C ATOM 1028 OD1 ASP A 63 7.857 -2.063 4.784 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.466 -2.214 6.942 1.00 0.00 O ATOM 0 H ASP A 63 7.077 -2.538 3.250 1.00 0.00 H new ATOM 0 HA ASP A 63 5.145 -4.649 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.741 -3.934 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.042 -4.713 5.481 1.00 0.00 H new ATOM 1034 N MET A 64 3.417 -3.025 4.979 1.00 0.00 N ATOM 1035 CA MET A 64 2.303 -2.108 5.189 1.00 0.00 C ATOM 1036 C MET A 64 2.695 -0.987 6.146 1.00 0.00 C ATOM 1037 O MET A 64 2.079 0.078 6.154 1.00 0.00 O ATOM 1038 CB MET A 64 1.090 -2.862 5.739 1.00 0.00 C ATOM 1039 CG MET A 64 0.167 -3.398 4.657 1.00 0.00 C ATOM 1040 SD MET A 64 -1.275 -4.245 5.332 1.00 0.00 S ATOM 1041 CE MET A 64 -2.511 -2.954 5.217 1.00 0.00 C ATOM 0 H MET A 64 3.256 -3.971 5.326 1.00 0.00 H new ATOM 0 HA MET A 64 2.042 -1.667 4.227 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.437 -3.693 6.354 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.524 -2.197 6.391 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.163 -2.573 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.722 -4.086 4.019 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.291 -3.130 5.958 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.045 -1.986 5.403 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.951 -2.959 4.220 1.00 0.00 H new ATOM 1051 N GLU A 65 3.724 -1.234 6.951 1.00 0.00 N ATOM 1052 CA GLU A 65 4.197 -0.245 7.912 1.00 0.00 C ATOM 1053 C GLU A 65 4.844 0.939 7.200 1.00 0.00 C ATOM 1054 O GLU A 65 4.443 2.088 7.390 1.00 0.00 O ATOM 1055 CB GLU A 65 5.196 -0.879 8.881 1.00 0.00 C ATOM 1056 CG GLU A 65 4.540 -1.628 10.029 1.00 0.00 C ATOM 1057 CD GLU A 65 5.400 -1.654 11.277 1.00 0.00 C ATOM 1058 OE1 GLU A 65 5.380 -0.660 12.033 1.00 0.00 O ATOM 1059 OE2 GLU A 65 6.094 -2.669 11.497 1.00 0.00 O ATOM 0 H GLU A 65 4.246 -2.110 6.956 1.00 0.00 H new ATOM 0 HA GLU A 65 3.337 0.117 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.838 -1.566 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.839 -0.099 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.583 -1.162 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.329 -2.651 9.717 1.00 0.00 H new ATOM 1066 N LYS A 66 5.848 0.651 6.378 1.00 0.00 N ATOM 1067 CA LYS A 66 6.551 1.690 5.636 1.00 0.00 C ATOM 1068 C LYS A 66 5.569 2.580 4.881 1.00 0.00 C ATOM 1069 O LYS A 66 5.839 3.759 4.647 1.00 0.00 O ATOM 1070 CB LYS A 66 7.544 1.062 4.655 1.00 0.00 C ATOM 1071 CG LYS A 66 6.959 0.808 3.277 1.00 0.00 C ATOM 1072 CD LYS A 66 7.955 0.108 2.368 1.00 0.00 C ATOM 1073 CE LYS A 66 8.809 1.107 1.602 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.017 0.467 1.011 1.00 0.00 N ATOM 0 H LYS A 66 6.193 -0.294 6.209 1.00 0.00 H new ATOM 0 HA LYS A 66 7.096 2.306 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.410 1.717 4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.903 0.119 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.059 0.199 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.659 1.755 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.598 -0.541 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.421 -0.530 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.214 1.561 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.115 1.911 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.572 1.181 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.598 0.056 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.725 -0.284 0.353 1.00 0.00 H new ATOM 1088 N ILE A 67 4.430 2.009 4.504 1.00 0.00 N ATOM 1089 CA ILE A 67 3.407 2.752 3.779 1.00 0.00 C ATOM 1090 C ILE A 67 2.446 3.445 4.739 1.00 0.00 C ATOM 1091 O ILE A 67 1.927 4.522 4.444 1.00 0.00 O ATOM 1092 CB ILE A 67 2.604 1.834 2.839 1.00 0.00 C ATOM 1093 CG1 ILE A 67 3.473 1.386 1.663 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.355 2.546 2.341 1.00 0.00 C ATOM 1095 CD1 ILE A 67 3.206 -0.036 1.221 1.00 0.00 C ATOM 0 H ILE A 67 4.192 1.034 4.689 1.00 0.00 H new ATOM 0 HA ILE A 67 3.926 3.503 3.183 1.00 0.00 H new ATOM 0 HB ILE A 67 2.296 0.949 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.305 2.057 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.523 1.480 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.799 1.884 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.729 2.819 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.642 3.446 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.858 -0.285 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.402 -0.717 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.165 -0.131 0.912 1.00 0.00 H new ATOM 1107 N ARG A 68 2.214 2.820 5.889 1.00 0.00 N ATOM 1108 CA ARG A 68 1.315 3.377 6.893 1.00 0.00 C ATOM 1109 C ARG A 68 1.967 4.554 7.613 1.00 0.00 C ATOM 1110 O ARG A 68 1.520 5.694 7.488 1.00 0.00 O ATOM 1111 CB ARG A 68 0.920 2.301 7.906 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.370 2.608 8.648 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.111 3.430 9.901 1.00 0.00 C ATOM 1114 NE ARG A 68 0.782 2.743 10.831 1.00 0.00 N ATOM 1115 CZ ARG A 68 0.971 3.129 12.088 1.00 0.00 C ATOM 1116 NH1 ARG A 68 0.334 4.190 12.562 1.00 0.00 N ATOM 1117 NH2 ARG A 68 1.800 2.452 12.873 1.00 0.00 N ATOM 0 H ARG A 68 2.636 1.928 6.148 1.00 0.00 H new ATOM 0 HA ARG A 68 0.420 3.735 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.813 1.348 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.726 2.182 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.049 3.150 7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.865 1.676 8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.325 4.389 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.058 3.642 10.397 1.00 0.00 H new ATOM 0 HE ARG A 68 1.288 1.923 10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.303 4.713 11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.481 4.484 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.292 1.635 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.945 2.749 13.838 1.00 0.00 H new ATOM 1131 N SER A 69 3.024 4.269 8.366 1.00 0.00 N ATOM 1132 CA SER A 69 3.734 5.303 9.109 1.00 0.00 C ATOM 1133 C SER A 69 3.902 6.562 8.263 1.00 0.00 C ATOM 1134 O SER A 69 3.500 7.653 8.666 1.00 0.00 O ATOM 1135 CB SER A 69 5.103 4.790 9.558 1.00 0.00 C ATOM 1136 OG SER A 69 5.694 5.668 10.500 1.00 0.00 O ATOM 0 H SER A 69 3.408 3.331 8.478 1.00 0.00 H new ATOM 0 HA SER A 69 3.142 5.554 9.989 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.997 3.798 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.758 4.686 8.693 1.00 0.00 H new ATOM 0 HG SER A 69 6.567 5.316 10.772 1.00 0.00 H new ATOM 1142 N HIS A 70 4.501 6.401 7.087 1.00 0.00 N ATOM 1143 CA HIS A 70 4.722 7.523 6.182 1.00 0.00 C ATOM 1144 C HIS A 70 3.423 8.282 5.929 1.00 0.00 C ATOM 1145 O HIS A 70 3.360 9.498 6.105 1.00 0.00 O ATOM 1146 CB HIS A 70 5.305 7.030 4.857 1.00 0.00 C ATOM 1147 CG HIS A 70 6.625 6.337 5.005 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.260 5.699 3.960 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.430 6.185 6.082 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.398 5.183 4.389 1.00 0.00 C ATOM 1151 NE2 HIS A 70 8.525 5.465 5.674 1.00 0.00 N ATOM 0 H HIS A 70 4.842 5.505 6.739 1.00 0.00 H new ATOM 0 HA HIS A 70 5.433 8.202 6.653 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.596 6.347 4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.423 7.879 4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.245 6.560 7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.104 4.626 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.309 5.192 6.266 1.00 0.00 H new ATOM 1160 N MET A 71 2.391 7.556 5.514 1.00 0.00 N ATOM 1161 CA MET A 71 1.093 8.161 5.237 1.00 0.00 C ATOM 1162 C MET A 71 0.670 9.084 6.376 1.00 0.00 C ATOM 1163 O MET A 71 0.244 10.215 6.144 1.00 0.00 O ATOM 1164 CB MET A 71 0.035 7.076 5.025 1.00 0.00 C ATOM 1165 CG MET A 71 -1.389 7.571 5.216 1.00 0.00 C ATOM 1166 SD MET A 71 -1.959 7.407 6.919 1.00 0.00 S ATOM 1167 CE MET A 71 -1.738 5.649 7.181 1.00 0.00 C ATOM 0 H MET A 71 2.428 6.548 5.362 1.00 0.00 H new ATOM 0 HA MET A 71 1.183 8.753 4.326 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.138 6.671 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.222 6.257 5.719 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.449 8.617 4.916 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.055 7.012 4.559 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.634 5.234 7.642 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.562 5.158 6.224 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.883 5.483 7.836 1.00 0.00 H new ATOM 1177 N MET A 72 0.790 8.594 7.605 1.00 0.00 N ATOM 1178 CA MET A 72 0.420 9.376 8.779 1.00 0.00 C ATOM 1179 C MET A 72 1.157 10.712 8.796 1.00 0.00 C ATOM 1180 O MET A 72 0.560 11.756 9.057 1.00 0.00 O ATOM 1181 CB MET A 72 0.729 8.594 10.057 1.00 0.00 C ATOM 1182 CG MET A 72 -0.423 7.721 10.529 1.00 0.00 C ATOM 1183 SD MET A 72 -1.680 8.654 11.423 1.00 0.00 S ATOM 1184 CE MET A 72 -2.960 8.778 10.177 1.00 0.00 C ATOM 0 H MET A 72 1.140 7.659 7.814 1.00 0.00 H new ATOM 0 HA MET A 72 -0.651 9.572 8.732 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.604 7.966 9.887 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.990 9.296 10.849 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.881 7.234 9.668 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.035 6.932 11.173 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.923 8.946 10.660 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.739 9.611 9.510 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.999 7.853 9.602 1.00 0.00 H new ATOM 1194 N ALA A 73 2.455 10.670 8.517 1.00 0.00 N ATOM 1195 CA ALA A 73 3.272 11.878 8.498 1.00 0.00 C ATOM 1196 C ALA A 73 3.138 12.611 7.168 1.00 0.00 C ATOM 1197 O ALA A 73 3.947 13.479 6.843 1.00 0.00 O ATOM 1198 CB ALA A 73 4.729 11.534 8.770 1.00 0.00 C ATOM 0 H ALA A 73 2.964 9.813 8.301 1.00 0.00 H new ATOM 0 HA ALA A 73 2.914 12.541 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.327 12.445 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.815 11.062 9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.090 10.848 8.004 1.00 0.00 H new ATOM 1204 N ASN A 74 2.112 12.254 6.402 1.00 0.00 N ATOM 1205 CA ASN A 74 1.874 12.878 5.105 1.00 0.00 C ATOM 1206 C ASN A 74 3.179 13.045 4.334 1.00 0.00 C ATOM 1207 O ASN A 74 3.395 14.059 3.668 1.00 0.00 O ATOM 1208 CB ASN A 74 1.197 14.238 5.286 1.00 0.00 C ATOM 1209 CG ASN A 74 0.474 14.696 4.035 1.00 0.00 C ATOM 1210 OD1 ASN A 74 -0.048 13.881 3.273 1.00 0.00 O ATOM 1211 ND2 ASN A 74 0.439 16.005 3.817 1.00 0.00 N ATOM 0 H ASN A 74 1.433 11.537 6.656 1.00 0.00 H new ATOM 0 HA ASN A 74 1.215 12.226 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.488 14.180 6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.947 14.980 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.034 16.372 2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.885 16.644 4.475 1.00 0.00 H new ATOM 1218 N LYS A 75 4.048 12.044 4.427 1.00 0.00 N ATOM 1219 CA LYS A 75 5.332 12.078 3.737 1.00 0.00 C ATOM 1220 C LYS A 75 5.141 11.980 2.227 1.00 0.00 C ATOM 1221 O LYS A 75 5.690 12.781 1.469 1.00 0.00 O ATOM 1222 CB LYS A 75 6.226 10.935 4.224 1.00 0.00 C ATOM 1223 CG LYS A 75 6.365 10.874 5.735 1.00 0.00 C ATOM 1224 CD LYS A 75 7.697 10.269 6.148 1.00 0.00 C ATOM 1225 CE LYS A 75 8.780 11.331 6.259 1.00 0.00 C ATOM 1226 NZ LYS A 75 8.844 11.917 7.627 1.00 0.00 N ATOM 0 H LYS A 75 3.886 11.198 4.974 1.00 0.00 H new ATOM 0 HA LYS A 75 5.813 13.030 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.819 9.989 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.216 11.045 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.276 11.878 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.550 10.282 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.586 9.760 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.997 9.516 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.746 10.893 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.589 12.122 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.594 12.636 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.931 12.357 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.052 11.167 8.317 1.00 0.00 H new ATOM 1240 N TYR A 76 4.360 10.996 1.797 1.00 0.00 N ATOM 1241 CA TYR A 76 4.098 10.794 0.377 1.00 0.00 C ATOM 1242 C TYR A 76 3.617 12.085 -0.278 1.00 0.00 C ATOM 1243 O TYR A 76 3.311 13.062 0.404 1.00 0.00 O ATOM 1244 CB TYR A 76 3.056 9.691 0.181 1.00 0.00 C ATOM 1245 CG TYR A 76 3.605 8.297 0.383 1.00 0.00 C ATOM 1246 CD1 TYR A 76 4.612 7.800 -0.435 1.00 0.00 C ATOM 1247 CD2 TYR A 76 3.115 7.476 1.392 1.00 0.00 C ATOM 1248 CE1 TYR A 76 5.116 6.526 -0.254 1.00 0.00 C ATOM 1249 CE2 TYR A 76 3.614 6.202 1.581 1.00 0.00 C ATOM 1250 CZ TYR A 76 4.614 5.731 0.755 1.00 0.00 C ATOM 1251 OH TYR A 76 5.113 4.462 0.939 1.00 0.00 O ATOM 0 H TYR A 76 3.897 10.326 2.411 1.00 0.00 H new ATOM 0 HA TYR A 76 5.031 10.492 -0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.233 9.853 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.643 9.768 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.008 8.420 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.331 7.840 2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.899 6.155 -0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.224 5.578 2.371 1.00 0.00 H new ATOM 0 HH TYR A 76 5.039 3.957 0.103 1.00 0.00 H new ATOM 1261 N GLN A 77 3.554 12.080 -1.606 1.00 0.00 N ATOM 1262 CA GLN A 77 3.111 13.251 -2.353 1.00 0.00 C ATOM 1263 C GLN A 77 1.607 13.200 -2.602 1.00 0.00 C ATOM 1264 O GLN A 77 0.883 14.143 -2.282 1.00 0.00 O ATOM 1265 CB GLN A 77 3.857 13.344 -3.685 1.00 0.00 C ATOM 1266 CG GLN A 77 5.311 13.764 -3.540 1.00 0.00 C ATOM 1267 CD GLN A 77 5.459 15.199 -3.073 1.00 0.00 C ATOM 1268 OE1 GLN A 77 4.470 15.903 -2.867 1.00 0.00 O ATOM 1269 NE2 GLN A 77 6.700 15.641 -2.903 1.00 0.00 N ATOM 0 H GLN A 77 3.804 11.279 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 77 3.333 14.137 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.815 12.376 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.344 14.057 -4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.808 13.102 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.818 13.643 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.491 15.023 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.862 16.598 -2.590 1.00 0.00 H new ATOM 1278 N ASP A 78 1.144 12.095 -3.176 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.274 11.921 -3.468 1.00 0.00 C ATOM 1280 C ASP A 78 -0.697 10.470 -3.265 1.00 0.00 C ATOM 1281 O ASP A 78 0.145 9.584 -3.111 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.579 12.360 -4.901 1.00 0.00 C ATOM 1283 CG ASP A 78 0.374 11.748 -5.909 1.00 0.00 C ATOM 1284 OD1 ASP A 78 0.132 10.599 -6.332 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.363 12.419 -6.273 1.00 0.00 O ATOM 0 H ASP A 78 1.730 11.306 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.841 12.545 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.601 12.079 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.522 13.447 -4.965 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.004 10.234 -3.266 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.538 8.890 -3.083 1.00 0.00 C ATOM 1292 C ILE A 79 -1.912 7.911 -4.070 1.00 0.00 C ATOM 1293 O ILE A 79 -1.455 6.833 -3.687 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.068 8.864 -3.252 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -4.731 9.800 -2.239 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.595 7.445 -3.093 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -4.642 9.306 -0.812 1.00 0.00 C ATOM 0 H ILE A 79 -2.713 10.956 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.288 8.587 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.313 9.212 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.264 10.783 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.780 9.927 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.678 7.443 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.144 6.802 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.341 7.072 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.132 10.019 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.134 8.337 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.595 9.206 -0.526 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.893 8.293 -5.342 1.00 0.00 N ATOM 1310 CA ASP A 80 -1.320 7.450 -6.385 1.00 0.00 C ATOM 1311 C ASP A 80 -0.102 6.693 -5.865 1.00 0.00 C ATOM 1312 O ASP A 80 -0.031 5.468 -5.962 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.930 8.296 -7.598 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.974 7.508 -8.892 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -0.142 6.592 -9.056 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.839 7.808 -9.741 1.00 0.00 O ATOM 0 H ASP A 80 -2.268 9.181 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.075 6.724 -6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.603 9.150 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.074 8.694 -7.452 1.00 0.00 H new ATOM 1321 N SER A 81 0.856 7.432 -5.312 1.00 0.00 N ATOM 1322 CA SER A 81 2.073 6.831 -4.781 1.00 0.00 C ATOM 1323 C SER A 81 1.746 5.636 -3.890 1.00 0.00 C ATOM 1324 O SER A 81 2.267 4.539 -4.089 1.00 0.00 O ATOM 1325 CB SER A 81 2.875 7.867 -3.990 1.00 0.00 C ATOM 1326 OG SER A 81 3.401 8.866 -4.845 1.00 0.00 O ATOM 0 H SER A 81 0.812 8.447 -5.221 1.00 0.00 H new ATOM 0 HA SER A 81 2.673 6.481 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.236 8.328 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.689 7.373 -3.459 1.00 0.00 H new ATOM 0 HG SER A 81 3.908 9.516 -4.315 1.00 0.00 H new ATOM 1332 N MET A 82 0.879 5.858 -2.908 1.00 0.00 N ATOM 1333 CA MET A 82 0.480 4.800 -1.987 1.00 0.00 C ATOM 1334 C MET A 82 -0.075 3.599 -2.747 1.00 0.00 C ATOM 1335 O MET A 82 0.214 2.451 -2.409 1.00 0.00 O ATOM 1336 CB MET A 82 -0.565 5.321 -1.000 1.00 0.00 C ATOM 1337 CG MET A 82 -0.540 4.610 0.344 1.00 0.00 C ATOM 1338 SD MET A 82 -1.706 5.315 1.525 1.00 0.00 S ATOM 1339 CE MET A 82 -3.260 4.714 0.867 1.00 0.00 C ATOM 0 H MET A 82 0.439 6.761 -2.729 1.00 0.00 H new ATOM 0 HA MET A 82 1.364 4.481 -1.434 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.403 6.387 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.556 5.212 -1.441 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.771 3.555 0.197 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.467 4.661 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.831 5.549 0.462 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.064 3.990 0.076 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.832 4.236 1.663 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.873 3.872 -3.774 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.468 2.813 -4.581 1.00 0.00 C ATOM 1351 C VAL A 83 -0.394 1.966 -5.254 1.00 0.00 C ATOM 1352 O VAL A 83 -0.278 0.770 -4.990 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.403 3.389 -5.661 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -3.035 2.269 -6.473 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.471 4.268 -5.027 1.00 0.00 C ATOM 0 H VAL A 83 -1.122 4.817 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.049 2.187 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.812 4.006 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.692 2.695 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.253 1.685 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.614 1.623 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.123 4.667 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.061 3.676 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.995 5.092 -4.495 1.00 0.00 H new ATOM 1365 N GLU A 84 0.390 2.595 -6.124 1.00 0.00 N ATOM 1366 CA GLU A 84 1.455 1.898 -6.835 1.00 0.00 C ATOM 1367 C GLU A 84 2.271 1.032 -5.880 1.00 0.00 C ATOM 1368 O GLU A 84 2.723 -0.054 -6.242 1.00 0.00 O ATOM 1369 CB GLU A 84 2.371 2.902 -7.539 1.00 0.00 C ATOM 1370 CG GLU A 84 3.064 3.863 -6.588 1.00 0.00 C ATOM 1371 CD GLU A 84 4.275 4.530 -7.213 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.352 3.899 -7.239 1.00 0.00 O ATOM 1373 OE2 GLU A 84 4.144 5.683 -7.675 1.00 0.00 O ATOM 0 H GLU A 84 0.308 3.585 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 84 0.995 1.251 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.126 2.357 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.785 3.475 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.356 4.628 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.373 3.323 -5.693 1.00 0.00 H new ATOM 1380 N ASP A 85 2.454 1.520 -4.658 1.00 0.00 N ATOM 1381 CA ASP A 85 3.214 0.791 -3.649 1.00 0.00 C ATOM 1382 C ASP A 85 2.510 -0.510 -3.273 1.00 0.00 C ATOM 1383 O ASP A 85 2.981 -1.599 -3.601 1.00 0.00 O ATOM 1384 CB ASP A 85 3.411 1.657 -2.404 1.00 0.00 C ATOM 1385 CG ASP A 85 4.567 2.626 -2.550 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.504 2.321 -3.318 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.535 3.690 -1.898 1.00 0.00 O ATOM 0 H ASP A 85 2.086 2.417 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 85 4.189 0.547 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.496 2.215 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.587 1.014 -1.542 1.00 0.00 H new ATOM 1392 N PHE A 86 1.382 -0.388 -2.583 1.00 0.00 N ATOM 1393 CA PHE A 86 0.614 -1.554 -2.160 1.00 0.00 C ATOM 1394 C PHE A 86 0.696 -2.666 -3.202 1.00 0.00 C ATOM 1395 O PHE A 86 0.792 -3.845 -2.862 1.00 0.00 O ATOM 1396 CB PHE A 86 -0.848 -1.169 -1.922 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.134 -0.749 -0.509 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.377 -1.694 0.474 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.161 0.593 -0.164 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.641 -1.311 1.775 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -1.424 0.983 1.136 1.00 0.00 C ATOM 1402 CZ PHE A 86 -1.665 0.030 2.106 1.00 0.00 C ATOM 0 H PHE A 86 0.979 0.506 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 86 1.042 -1.922 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.115 -0.355 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.485 -2.016 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.360 -2.744 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.975 1.342 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.828 -2.059 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.441 2.032 1.393 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.872 0.333 3.122 1.00 0.00 H new ATOM 1412 N VAL A 87 0.657 -2.281 -4.474 1.00 0.00 N ATOM 1413 CA VAL A 87 0.728 -3.244 -5.566 1.00 0.00 C ATOM 1414 C VAL A 87 1.890 -4.211 -5.372 1.00 0.00 C ATOM 1415 O VAL A 87 1.698 -5.426 -5.324 1.00 0.00 O ATOM 1416 CB VAL A 87 0.883 -2.539 -6.927 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.033 -3.560 -8.044 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.302 -1.621 -7.189 1.00 0.00 C ATOM 0 H VAL A 87 0.577 -1.309 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.209 -3.801 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 87 1.787 -1.930 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.141 -3.043 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.916 -4.172 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.149 -4.198 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.176 -1.131 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.221 -2.207 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.359 -0.867 -6.404 1.00 0.00 H new ATOM 1428 N MET A 88 3.096 -3.664 -5.260 1.00 0.00 N ATOM 1429 CA MET A 88 4.290 -4.479 -5.070 1.00 0.00 C ATOM 1430 C MET A 88 4.019 -5.621 -4.095 1.00 0.00 C ATOM 1431 O MET A 88 4.248 -6.787 -4.413 1.00 0.00 O ATOM 1432 CB MET A 88 5.445 -3.617 -4.555 1.00 0.00 C ATOM 1433 CG MET A 88 5.744 -2.414 -5.435 1.00 0.00 C ATOM 1434 SD MET A 88 7.482 -1.934 -5.387 1.00 0.00 S ATOM 1435 CE MET A 88 7.698 -1.619 -3.637 1.00 0.00 C ATOM 0 H MET A 88 3.272 -2.660 -5.298 1.00 0.00 H new ATOM 0 HA MET A 88 4.566 -4.905 -6.034 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.209 -3.271 -3.549 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.341 -4.233 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.462 -2.642 -6.463 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.130 -1.573 -5.115 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.881 -0.556 -3.478 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.797 -1.917 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.548 -2.192 -3.266 1.00 0.00 H new ATOM 1445 N MET A 89 3.531 -5.276 -2.908 1.00 0.00 N ATOM 1446 CA MET A 89 3.228 -6.274 -1.888 1.00 0.00 C ATOM 1447 C MET A 89 2.588 -7.511 -2.511 1.00 0.00 C ATOM 1448 O MET A 89 3.160 -8.601 -2.478 1.00 0.00 O ATOM 1449 CB MET A 89 2.297 -5.683 -0.828 1.00 0.00 C ATOM 1450 CG MET A 89 2.316 -6.444 0.489 1.00 0.00 C ATOM 1451 SD MET A 89 1.622 -5.489 1.852 1.00 0.00 S ATOM 1452 CE MET A 89 0.029 -5.036 1.172 1.00 0.00 C ATOM 0 H MET A 89 3.337 -4.314 -2.629 1.00 0.00 H new ATOM 0 HA MET A 89 4.164 -6.570 -1.415 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.581 -4.647 -0.644 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.279 -5.670 -1.217 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.754 -7.371 0.377 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.342 -6.721 0.730 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.614 -4.662 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.162 -4.259 0.419 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.433 -5.910 0.714 1.00 0.00 H new ATOM 1462 N PHE A 90 1.399 -7.335 -3.078 1.00 0.00 N ATOM 1463 CA PHE A 90 0.682 -8.438 -3.707 1.00 0.00 C ATOM 1464 C PHE A 90 1.566 -9.152 -4.725 1.00 0.00 C ATOM 1465 O PHE A 90 1.708 -10.374 -4.691 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.588 -7.925 -4.389 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.395 -6.993 -3.531 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.740 -7.346 -2.237 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.807 -5.763 -4.019 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.483 -6.490 -1.445 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.550 -4.903 -3.232 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.887 -5.267 -1.943 1.00 0.00 C ATOM 0 H PHE A 90 0.912 -6.440 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 90 0.407 -9.150 -2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.314 -7.412 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.209 -8.776 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.425 -8.301 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.545 -5.473 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.747 -6.778 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.866 -3.948 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.466 -4.596 -1.325 1.00 0.00 H new ATOM 1482 N ASN A 91 2.158 -8.380 -5.630 1.00 0.00 N ATOM 1483 CA ASN A 91 3.028 -8.938 -6.659 1.00 0.00 C ATOM 1484 C ASN A 91 3.974 -9.978 -6.066 1.00 0.00 C ATOM 1485 O ASN A 91 4.103 -11.084 -6.590 1.00 0.00 O ATOM 1486 CB ASN A 91 3.834 -7.826 -7.334 1.00 0.00 C ATOM 1487 CG ASN A 91 3.067 -7.158 -8.459 1.00 0.00 C ATOM 1488 OD1 ASN A 91 2.026 -7.649 -8.893 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.581 -6.030 -8.937 1.00 0.00 N ATOM 0 H ASN A 91 2.051 -7.366 -5.672 1.00 0.00 H new ATOM 0 HA ASN A 91 2.400 -9.426 -7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.109 -7.078 -6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.762 -8.241 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.109 -5.535 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.447 -5.659 -8.547 1.00 0.00 H new ATOM 1496 N ASN A 92 4.632 -9.615 -4.970 1.00 0.00 N ATOM 1497 CA ASN A 92 5.566 -10.517 -4.306 1.00 0.00 C ATOM 1498 C ASN A 92 4.915 -11.869 -4.031 1.00 0.00 C ATOM 1499 O ASN A 92 5.331 -12.892 -4.574 1.00 0.00 O ATOM 1500 CB ASN A 92 6.059 -9.900 -2.995 1.00 0.00 C ATOM 1501 CG ASN A 92 6.920 -8.673 -3.222 1.00 0.00 C ATOM 1502 OD1 ASN A 92 7.513 -8.505 -4.288 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.994 -7.808 -2.217 1.00 0.00 N ATOM 0 H ASN A 92 4.536 -8.703 -4.523 1.00 0.00 H new ATOM 0 HA ASN A 92 6.417 -10.672 -4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.202 -9.630 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.630 -10.643 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.559 -6.964 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.486 -7.988 -1.351 1.00 0.00 H new ATOM 1510 N ALA A 93 3.890 -11.865 -3.184 1.00 0.00 N ATOM 1511 CA ALA A 93 3.180 -13.090 -2.839 1.00 0.00 C ATOM 1512 C ALA A 93 2.918 -13.940 -4.077 1.00 0.00 C ATOM 1513 O ALA A 93 3.001 -15.168 -4.028 1.00 0.00 O ATOM 1514 CB ALA A 93 1.871 -12.760 -2.136 1.00 0.00 C ATOM 0 H ALA A 93 3.533 -11.027 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 93 3.809 -13.667 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.350 -13.684 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.079 -12.200 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.245 -12.159 -2.796 1.00 0.00 H new ATOM 1520 N CYS A 94 2.600 -13.280 -5.186 1.00 0.00 N ATOM 1521 CA CYS A 94 2.324 -13.976 -6.437 1.00 0.00 C ATOM 1522 C CYS A 94 3.539 -14.776 -6.894 1.00 0.00 C ATOM 1523 O CYS A 94 3.410 -15.901 -7.379 1.00 0.00 O ATOM 1524 CB CYS A 94 1.919 -12.977 -7.522 1.00 0.00 C ATOM 1525 SG CYS A 94 0.639 -11.807 -7.008 1.00 0.00 S ATOM 0 H CYS A 94 2.527 -12.264 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 94 1.500 -14.668 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.802 -12.419 -7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.564 -13.527 -8.393 1.00 0.00 H new ATOM 0 HG CYS A 94 0.847 -11.450 -5.775 1.00 0.00 H new ATOM 1531 N THR A 95 4.721 -14.188 -6.738 1.00 0.00 N ATOM 1532 CA THR A 95 5.960 -14.844 -7.137 1.00 0.00 C ATOM 1533 C THR A 95 6.446 -15.804 -6.056 1.00 0.00 C ATOM 1534 O THR A 95 6.578 -17.005 -6.293 1.00 0.00 O ATOM 1535 CB THR A 95 7.069 -13.817 -7.433 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.630 -12.897 -8.437 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.340 -14.513 -7.896 1.00 0.00 C ATOM 0 H THR A 95 4.846 -13.258 -6.338 1.00 0.00 H new ATOM 0 HA THR A 95 5.743 -15.405 -8.046 1.00 0.00 H new ATOM 0 HB THR A 95 7.285 -13.273 -6.513 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.340 -12.247 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.109 -13.768 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.688 -15.191 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.134 -15.079 -8.804 1.00 0.00 H new ATOM 1545 N TYR A 96 6.711 -15.267 -4.871 1.00 0.00 N ATOM 1546 CA TYR A 96 7.185 -16.076 -3.754 1.00 0.00 C ATOM 1547 C TYR A 96 6.311 -17.313 -3.568 1.00 0.00 C ATOM 1548 O TYR A 96 6.805 -18.439 -3.555 1.00 0.00 O ATOM 1549 CB TYR A 96 7.198 -15.249 -2.467 1.00 0.00 C ATOM 1550 CG TYR A 96 8.101 -15.814 -1.394 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.479 -15.657 -1.464 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.574 -16.504 -0.309 1.00 0.00 C ATOM 1553 CE1 TYR A 96 10.308 -16.172 -0.486 1.00 0.00 C ATOM 1554 CE2 TYR A 96 8.395 -17.021 0.675 1.00 0.00 C ATOM 1555 CZ TYR A 96 9.761 -16.853 0.582 1.00 0.00 C ATOM 1556 OH TYR A 96 10.583 -17.366 1.559 1.00 0.00 O ATOM 0 H TYR A 96 6.606 -14.275 -4.659 1.00 0.00 H new ATOM 0 HA TYR A 96 8.201 -16.401 -3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.517 -14.233 -2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.182 -15.182 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.910 -15.123 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.505 -16.638 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.378 -16.042 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.969 -17.554 1.512 1.00 0.00 H new ATOM 0 HH TYR A 96 10.040 -17.815 2.240 1.00 0.00 H new ATOM 1566 N ASN A 97 5.008 -17.092 -3.425 1.00 0.00 N ATOM 1567 CA ASN A 97 4.063 -18.188 -3.240 1.00 0.00 C ATOM 1568 C ASN A 97 3.420 -18.582 -4.566 1.00 0.00 C ATOM 1569 O ASN A 97 3.242 -17.747 -5.452 1.00 0.00 O ATOM 1570 CB ASN A 97 2.981 -17.791 -2.234 1.00 0.00 C ATOM 1571 CG ASN A 97 3.555 -17.125 -0.998 1.00 0.00 C ATOM 1572 OD1 ASN A 97 4.472 -17.651 -0.366 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.018 -15.963 -0.649 1.00 0.00 N ATOM 0 H ASN A 97 4.583 -16.165 -3.434 1.00 0.00 H new ATOM 0 HA ASN A 97 4.612 -19.047 -2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.275 -17.113 -2.713 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.421 -18.678 -1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.364 -15.468 0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.260 -15.565 -1.203 1.00 0.00 H new ATOM 1580 N GLU A 98 3.075 -19.860 -4.694 1.00 0.00 N ATOM 1581 CA GLU A 98 2.453 -20.364 -5.912 1.00 0.00 C ATOM 1582 C GLU A 98 1.049 -19.791 -6.083 1.00 0.00 C ATOM 1583 O GLU A 98 0.361 -19.465 -5.115 1.00 0.00 O ATOM 1584 CB GLU A 98 2.391 -21.893 -5.885 1.00 0.00 C ATOM 1585 CG GLU A 98 1.854 -22.457 -4.580 1.00 0.00 C ATOM 1586 CD GLU A 98 1.336 -23.875 -4.727 1.00 0.00 C ATOM 1587 OE1 GLU A 98 1.987 -24.675 -5.431 1.00 0.00 O ATOM 1588 OE2 GLU A 98 0.279 -24.184 -4.138 1.00 0.00 O ATOM 0 H GLU A 98 3.216 -20.564 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 98 3.062 -20.047 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.762 -22.237 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.390 -22.292 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.643 -22.438 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.051 -21.817 -4.215 1.00 0.00 H new ATOM 1595 N PRO A 99 0.613 -19.663 -7.345 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.712 -19.128 -7.674 1.00 0.00 C ATOM 1597 C PRO A 99 -1.836 -20.080 -7.278 1.00 0.00 C ATOM 1598 O PRO A 99 -3.011 -19.716 -7.314 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.661 -18.965 -9.195 1.00 0.00 C ATOM 1600 CG PRO A 99 0.357 -19.953 -9.649 1.00 0.00 C ATOM 1601 CD PRO A 99 1.379 -20.030 -8.548 1.00 0.00 C ATOM 0 HA PRO A 99 -0.922 -18.202 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.633 -19.162 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.380 -17.950 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.098 -20.927 -9.828 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.816 -19.638 -10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.804 -21.030 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.208 -19.344 -8.721 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.466 -21.300 -6.901 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.445 -22.304 -6.499 1.00 0.00 C ATOM 1611 C GLU A 100 -2.917 -22.061 -5.068 1.00 0.00 C ATOM 1612 O GLU A 100 -4.077 -22.303 -4.737 1.00 0.00 O ATOM 1613 CB GLU A 100 -1.848 -23.707 -6.619 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.891 -24.801 -6.774 1.00 0.00 C ATOM 1615 CD GLU A 100 -2.343 -26.037 -7.461 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -1.785 -26.907 -6.762 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -2.474 -26.133 -8.700 1.00 0.00 O ATOM 0 H GLU A 100 -0.497 -21.617 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.304 -22.224 -7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.175 -23.734 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.246 -23.913 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.273 -25.076 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.734 -24.415 -7.347 1.00 0.00 H new ATOM 1624 N SER A 101 -2.008 -21.581 -4.225 1.00 0.00 N ATOM 1625 CA SER A 101 -2.329 -21.309 -2.829 1.00 0.00 C ATOM 1626 C SER A 101 -3.584 -20.449 -2.718 1.00 0.00 C ATOM 1627 O SER A 101 -4.143 -20.011 -3.725 1.00 0.00 O ATOM 1628 CB SER A 101 -1.155 -20.611 -2.140 1.00 0.00 C ATOM 1629 OG SER A 101 -1.159 -20.862 -0.746 1.00 0.00 O ATOM 0 H SER A 101 -1.044 -21.373 -4.485 1.00 0.00 H new ATOM 0 HA SER A 101 -2.517 -22.261 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.217 -20.959 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.210 -19.537 -2.319 1.00 0.00 H new ATOM 0 HG SER A 101 -0.398 -20.406 -0.329 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.023 -20.210 -1.487 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.212 -19.401 -1.242 1.00 0.00 C ATOM 1637 C LEU A 102 -4.850 -17.926 -1.108 1.00 0.00 C ATOM 1638 O LEU A 102 -5.490 -17.062 -1.708 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.926 -19.880 0.024 1.00 0.00 C ATOM 1640 CG LEU A 102 -7.275 -19.224 0.322 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -8.144 -20.149 1.160 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -7.075 -17.891 1.029 1.00 0.00 C ATOM 0 H LEU A 102 -3.573 -20.565 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.881 -19.515 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.077 -20.957 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.266 -19.711 0.875 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.784 -19.038 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.100 -19.666 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.315 -21.079 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.641 -20.367 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.045 -17.438 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.545 -18.053 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.491 -17.226 0.393 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.818 -17.645 -0.319 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.369 -16.274 -0.109 1.00 0.00 C ATOM 1656 C ILE A 103 -3.278 -15.517 -1.430 1.00 0.00 C ATOM 1657 O ILE A 103 -3.316 -14.287 -1.456 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.996 -16.232 0.588 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.487 -14.792 0.674 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.998 -17.109 -0.153 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -0.284 -14.629 1.576 1.00 0.00 C ATOM 0 H ILE A 103 -3.278 -18.348 0.185 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.109 -15.795 0.532 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.108 -16.619 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.230 -14.446 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.292 -14.152 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.033 -17.069 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.358 -18.138 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.887 -16.750 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.022 -13.583 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.542 -14.944 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.536 -15.242 1.203 1.00 0.00 H new ATOM 1673 N TYR A 104 -3.160 -16.261 -2.524 1.00 0.00 N ATOM 1674 CA TYR A 104 -3.064 -15.660 -3.849 1.00 0.00 C ATOM 1675 C TYR A 104 -4.397 -15.048 -4.268 1.00 0.00 C ATOM 1676 O TYR A 104 -4.442 -13.957 -4.837 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.626 -16.706 -4.876 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.521 -16.166 -6.284 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.380 -15.496 -6.708 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.562 -16.324 -7.190 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.279 -15.000 -7.994 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.470 -15.833 -8.478 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.326 -15.171 -8.875 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.231 -14.679 -10.156 1.00 0.00 O ATOM 0 H TYR A 104 -3.129 -17.281 -2.520 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.318 -14.867 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.659 -17.112 -4.579 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.336 -17.533 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.558 -15.360 -6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.459 -16.840 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.385 -14.481 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.288 -15.966 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.054 -14.885 -10.647 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.483 -15.758 -3.981 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.819 -15.286 -4.325 1.00 0.00 C ATOM 1696 C LYS A 105 -7.157 -14.008 -3.564 1.00 0.00 C ATOM 1697 O LYS A 105 -7.795 -13.103 -4.103 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.859 -16.366 -4.017 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.779 -17.568 -4.941 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.695 -18.689 -4.479 1.00 0.00 C ATOM 1701 CE LYS A 105 -10.160 -18.334 -4.688 1.00 0.00 C ATOM 1702 NZ LYS A 105 -10.519 -18.291 -6.132 1.00 0.00 N ATOM 0 H LYS A 105 -5.464 -16.663 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.836 -15.068 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.729 -16.700 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.855 -15.930 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.051 -17.269 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.752 -17.930 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.459 -19.602 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.516 -18.895 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.787 -19.066 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.368 -17.365 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.554 -18.283 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.123 -17.431 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.131 -19.129 -6.611 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.725 -13.940 -2.310 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.980 -12.771 -1.475 1.00 0.00 C ATOM 1718 C ASP A 106 -6.212 -11.558 -1.990 1.00 0.00 C ATOM 1719 O ASP A 106 -6.775 -10.476 -2.148 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.591 -13.059 -0.025 1.00 0.00 C ATOM 1721 CG ASP A 106 -5.151 -12.690 0.272 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -4.815 -11.490 0.184 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -4.359 -13.600 0.594 1.00 0.00 O ATOM 0 H ASP A 106 -6.196 -14.680 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.046 -12.549 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.250 -12.504 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.743 -14.118 0.185 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.922 -11.747 -2.250 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.077 -10.669 -2.748 1.00 0.00 C ATOM 1730 C ALA A 107 -4.718 -9.978 -3.946 1.00 0.00 C ATOM 1731 O ALA A 107 -4.767 -8.749 -4.014 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.702 -11.205 -3.119 1.00 0.00 C ATOM 0 H ALA A 107 -4.440 -12.637 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.965 -9.931 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.081 -10.389 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.234 -11.646 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.804 -11.964 -3.895 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.208 -10.774 -4.890 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.847 -10.238 -6.087 1.00 0.00 C ATOM 1740 C LEU A 108 -7.067 -9.398 -5.724 1.00 0.00 C ATOM 1741 O LEU A 108 -7.276 -8.317 -6.275 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.256 -11.376 -7.024 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.124 -12.272 -7.526 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.672 -13.374 -8.421 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.081 -11.449 -8.269 1.00 0.00 C ATOM 0 H LEU A 108 -5.175 -11.793 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.128 -9.597 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.985 -12.001 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.761 -10.944 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.645 -12.736 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.852 -14.002 -8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.380 -13.982 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.177 -12.929 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.283 -12.104 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.547 -10.956 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.666 -10.697 -7.598 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.870 -9.903 -4.793 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.069 -9.198 -4.353 1.00 0.00 C ATOM 1759 C VAL A 109 -8.721 -7.830 -3.776 1.00 0.00 C ATOM 1760 O VAL A 109 -9.316 -6.818 -4.148 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.840 -10.009 -3.295 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.013 -9.204 -2.756 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.313 -11.332 -3.878 1.00 0.00 C ATOM 0 H VAL A 109 -7.712 -10.797 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.701 -9.068 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.167 -10.225 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.546 -9.793 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.645 -8.286 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.690 -8.956 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.856 -11.892 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.971 -11.141 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.452 -11.912 -4.210 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.755 -7.807 -2.865 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.327 -6.563 -2.236 1.00 0.00 C ATOM 1775 C LEU A 110 -6.971 -5.516 -3.286 1.00 0.00 C ATOM 1776 O LEU A 110 -7.524 -4.416 -3.294 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.125 -6.816 -1.324 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.418 -7.551 -0.015 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.124 -7.902 0.701 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.314 -6.708 0.880 1.00 0.00 C ATOM 0 H LEU A 110 -7.253 -8.636 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.156 -6.184 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.385 -7.390 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.668 -5.856 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.941 -8.478 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.352 -8.424 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.518 -8.545 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.572 -6.989 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.512 -7.246 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.817 -5.765 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.255 -6.508 0.368 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.044 -5.865 -4.172 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.616 -4.956 -5.230 1.00 0.00 C ATOM 1794 C HIS A 111 -6.814 -4.257 -5.864 1.00 0.00 C ATOM 1795 O HIS A 111 -6.947 -3.036 -5.787 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.830 -5.717 -6.298 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.336 -4.847 -7.412 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.247 -5.275 -8.720 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.904 -3.564 -7.408 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.780 -4.294 -9.471 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.564 -3.244 -8.700 1.00 0.00 N ATOM 0 H HIS A 111 -5.575 -6.771 -4.179 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.970 -4.199 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.979 -6.210 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.463 -6.501 -6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.839 -2.913 -6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.604 -4.342 -10.536 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.204 -2.342 -9.013 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.686 -5.040 -6.491 1.00 0.00 N ATOM 1811 CA LYS A 112 -8.874 -4.498 -7.139 1.00 0.00 C ATOM 1812 C LYS A 112 -9.581 -3.498 -6.229 1.00 0.00 C ATOM 1813 O LYS A 112 -9.946 -2.403 -6.659 1.00 0.00 O ATOM 1814 CB LYS A 112 -9.835 -5.627 -7.516 1.00 0.00 C ATOM 1815 CG LYS A 112 -10.782 -5.268 -8.649 1.00 0.00 C ATOM 1816 CD LYS A 112 -11.319 -6.509 -9.342 1.00 0.00 C ATOM 1817 CE LYS A 112 -12.571 -6.200 -10.148 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.765 -6.030 -9.275 1.00 0.00 N ATOM 0 H LYS A 112 -7.592 -6.053 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.559 -3.980 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.256 -6.505 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.420 -5.903 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.613 -4.681 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.262 -4.642 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.553 -6.919 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.543 -7.274 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.414 -5.291 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.753 -7.006 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.622 -5.990 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.833 -6.834 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.676 -5.147 -8.733 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.769 -3.880 -4.970 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.429 -3.016 -3.999 1.00 0.00 C ATOM 1834 C VAL A 113 -9.685 -1.694 -3.845 1.00 0.00 C ATOM 1835 O VAL A 113 -10.276 -0.619 -3.957 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.535 -3.697 -2.622 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.127 -2.741 -1.597 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.365 -4.968 -2.719 1.00 0.00 C ATOM 0 H VAL A 113 -9.473 -4.783 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.433 -2.823 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.532 -3.969 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.194 -3.240 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.489 -1.862 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.123 -2.435 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.429 -5.436 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.367 -4.722 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.894 -5.658 -3.419 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.385 -1.780 -3.587 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.558 -0.590 -3.417 1.00 0.00 C ATOM 1850 C LEU A 114 -7.776 0.392 -4.563 1.00 0.00 C ATOM 1851 O LEU A 114 -7.657 1.606 -4.386 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.081 -0.979 -3.337 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.087 0.179 -3.240 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.341 0.997 -1.983 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.657 -0.343 -3.258 1.00 0.00 C ATOM 0 H LEU A 114 -7.880 -2.661 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.850 -0.104 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.942 -1.624 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.834 -1.571 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.228 0.827 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.624 1.816 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.353 1.401 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.228 0.360 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.963 0.495 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.504 -1.013 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.479 -0.885 -4.187 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.098 -0.139 -5.737 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.336 0.692 -6.913 1.00 0.00 C ATOM 1869 C LEU A 115 -9.670 1.423 -6.803 1.00 0.00 C ATOM 1870 O LEU A 115 -9.709 2.648 -6.693 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.315 -0.166 -8.180 1.00 0.00 C ATOM 1872 CG LEU A 115 -6.974 -0.811 -8.531 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.144 -1.808 -9.667 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -5.951 0.252 -8.901 1.00 0.00 C ATOM 0 H LEU A 115 -8.200 -1.141 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.540 1.434 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.058 -0.956 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.628 0.454 -9.020 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.610 -1.347 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.180 -2.258 -9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.844 -2.588 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.531 -1.294 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.003 -0.226 -9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.308 0.816 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.808 0.928 -8.058 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.760 0.663 -6.830 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.095 1.241 -6.731 1.00 0.00 C ATOM 1888 C GLU A 116 -12.169 2.249 -5.588 1.00 0.00 C ATOM 1889 O GLU A 116 -12.750 3.326 -5.731 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.137 0.139 -6.521 1.00 0.00 C ATOM 1891 CG GLU A 116 -12.998 -0.585 -5.193 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.098 -1.603 -4.966 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.212 -1.400 -5.493 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.846 -2.603 -4.261 1.00 0.00 O ATOM 0 H GLU A 116 -10.745 -0.353 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.308 1.761 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.134 0.576 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.055 -0.586 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.031 -1.086 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.010 0.144 -4.383 1.00 0.00 H new ATOM 1901 N THR A 117 -11.576 1.893 -4.453 1.00 0.00 N ATOM 1902 CA THR A 117 -11.575 2.765 -3.285 1.00 0.00 C ATOM 1903 C THR A 117 -11.381 4.223 -3.687 1.00 0.00 C ATOM 1904 O THR A 117 -12.118 5.103 -3.242 1.00 0.00 O ATOM 1905 CB THR A 117 -10.470 2.368 -2.289 1.00 0.00 C ATOM 1906 OG1 THR A 117 -10.491 0.953 -2.072 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.651 3.092 -0.963 1.00 0.00 C ATOM 0 H THR A 117 -11.090 1.006 -4.318 1.00 0.00 H new ATOM 0 HA THR A 117 -12.546 2.650 -2.804 1.00 0.00 H new ATOM 0 HB THR A 117 -9.508 2.656 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.875 0.517 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.859 2.796 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.605 4.169 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.619 2.831 -0.535 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.386 4.471 -4.532 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.096 5.823 -4.994 1.00 0.00 C ATOM 1917 C ARG A 118 -11.384 6.593 -5.267 1.00 0.00 C ATOM 1918 O ARG A 118 -12.291 6.090 -5.931 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.237 5.780 -6.259 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.815 5.304 -6.014 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.856 5.855 -7.058 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.019 5.198 -8.352 1.00 0.00 N ATOM 1923 CZ ARG A 118 -6.421 5.609 -9.465 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.624 6.668 -9.441 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.620 4.958 -10.605 1.00 0.00 N ATOM 0 H ARG A 118 -9.767 3.754 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.545 6.338 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.711 5.122 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.207 6.776 -6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.492 5.616 -5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.787 4.215 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.021 6.926 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.830 5.725 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.625 4.379 -8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.469 7.170 -8.567 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.166 6.981 -10.297 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.232 4.142 -10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.161 5.274 -11.459 1.00 0.00 H new ATOM 1939 N ARG A 119 -11.458 7.815 -4.749 1.00 0.00 N ATOM 1940 CA ARG A 119 -12.636 8.654 -4.935 1.00 0.00 C ATOM 1941 C ARG A 119 -12.688 9.212 -6.355 1.00 0.00 C ATOM 1942 O ARG A 119 -11.766 9.899 -6.796 1.00 0.00 O ATOM 1943 CB ARG A 119 -12.637 9.802 -3.924 1.00 0.00 C ATOM 1944 CG ARG A 119 -14.028 10.298 -3.567 1.00 0.00 C ATOM 1945 CD ARG A 119 -14.532 11.317 -4.577 1.00 0.00 C ATOM 1946 NE ARG A 119 -15.887 11.767 -4.270 1.00 0.00 N ATOM 1947 CZ ARG A 119 -16.459 12.821 -4.842 1.00 0.00 C ATOM 1948 NH1 ARG A 119 -15.797 13.528 -5.747 1.00 0.00 N ATOM 1949 NH2 ARG A 119 -17.696 13.168 -4.510 1.00 0.00 N ATOM 0 H ARG A 119 -10.716 8.246 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.519 8.036 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -12.133 9.475 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -12.057 10.632 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.717 9.454 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.012 10.746 -2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -13.860 12.175 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -14.513 10.879 -5.575 1.00 0.00 H new ATOM 0 HE ARG A 119 -16.424 11.243 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -14.847 13.263 -6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -16.238 14.337 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -18.209 12.625 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -18.134 13.977 -4.950 1.00 0.00 H new ATOM 1963 N ASP A 120 -13.770 8.911 -7.064 1.00 0.00 N ATOM 1964 CA ASP A 120 -13.942 9.383 -8.433 1.00 0.00 C ATOM 1965 C ASP A 120 -14.607 10.756 -8.456 1.00 0.00 C ATOM 1966 O ASP A 120 -15.826 10.863 -8.596 1.00 0.00 O ATOM 1967 CB ASP A 120 -14.776 8.385 -9.238 1.00 0.00 C ATOM 1968 CG ASP A 120 -15.950 7.841 -8.448 1.00 0.00 C ATOM 1969 OD1 ASP A 120 -16.631 8.641 -7.773 1.00 0.00 O ATOM 1970 OD2 ASP A 120 -16.187 6.616 -8.503 1.00 0.00 O ATOM 0 H ASP A 120 -14.541 8.342 -6.714 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.955 9.470 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -15.144 8.870 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -14.141 7.558 -9.555 1.00 0.00 H new TER 1975 ASP A 120