USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 887 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 80 TYR OH : rot 62:sc= 0.748 USER MOD Set 1.2: A 112 HIS : no HE2:sc= 0.915 K(o=1.7,f=-1.9) USER MOD Set 2.1: A 1 MET CE :methyl -150:sc= -0.0898 (180deg=-1.66!) USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 110 HIS : no HD1:sc=-0.00295 X(o=-0.093,f=-0.33) USER MOD Set 3.1: A 63 GLN : amide:sc= 0.0495 X(o=0.03,f=-0.42) USER MOD Set 3.2: A 67 ASN : amide:sc= 0.071 K(o=0.03,f=-0.8) USER MOD Set 3.3: A 70 GLN :FLIP amide:sc= -0.0902 F(o=-0.98,f=0.03) USER MOD Set 4.1: A 46 SER OG : rot 180:sc= 0.61 USER MOD Set 4.2: A 52 LYS NZ :NH3+ 175:sc= 1.17 (180deg=0.591) USER MOD Set 5.1: A 19 GLN : amide:sc= -0.428 X(o=-0.37,f=-0.46) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 136:sc= 0.0213 (180deg=0) USER MOD Set 5.3: A 33 THR OG1 : rot 150:sc= 0.0369 USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.65 (180deg=0.413) USER MOD Single : A 3 LYS NZ :NH3+ -125:sc= -1.09 (180deg=-6.05!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.409 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.665 K(o=-0.66,f=-6.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 130:sc= 0.54 USER MOD Single : A 24 HIS : no HD1:sc= 0.179 K(o=0.18,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -1.45! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 54:sc= -0.864 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 0.651 (180deg=0.502) USER MOD Single : A 47 MET CE :methyl 168:sc= -0.0833 (180deg=-0.345) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= -0.0672 (180deg=-1.12) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.028 K(o=-0.028,f=-2.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0411 X(o=-0.041,f=-0.48) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= 0.502 (180deg=0.187) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -1.12 (180deg=-1.84!) USER MOD Single : A 85 SER OG : rot 150:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.216 F(o=-1.3,f=-0.22) USER MOD Single : A 100 LYS NZ :NH3+ -119:sc= 0.846 (180deg=-0.0124) USER MOD Single : A 101 THR OG1 : rot 150:sc= -0.142 USER MOD Single : A 104 SER OG : rot 43:sc= 0.324 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 109 HIS : no HE2:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.424 14.454 -2.631 1.00 11.53 N ATOM 2 CA MET A 1 6.879 14.166 -1.288 1.00 24.43 C ATOM 3 C MET A 1 5.348 14.038 -1.349 1.00 12.11 C ATOM 4 O MET A 1 4.678 14.826 -2.027 1.00 52.32 O ATOM 5 CB MET A 1 7.325 15.271 -0.295 1.00 24.23 C ATOM 6 CG MET A 1 6.680 15.198 1.099 1.00 13.32 C ATOM 7 SD MET A 1 6.942 13.606 1.907 1.00 23.51 S ATOM 8 CE MET A 1 6.057 13.866 3.443 1.00 25.21 C ATOM 0 H1 MET A 1 8.213 15.126 -2.549 1.00 11.53 H new ATOM 0 H2 MET A 1 7.765 13.572 -3.064 1.00 11.53 H new ATOM 0 H3 MET A 1 6.678 14.867 -3.227 1.00 11.53 H new ATOM 0 HA MET A 1 7.271 13.214 -0.932 1.00 24.43 H new ATOM 0 HB2 MET A 1 8.408 15.218 -0.180 1.00 24.23 H new ATOM 0 HB3 MET A 1 7.098 16.243 -0.732 1.00 24.23 H new ATOM 0 HG2 MET A 1 7.089 15.990 1.726 1.00 13.32 H new ATOM 0 HG3 MET A 1 5.610 15.383 1.009 1.00 13.32 H new ATOM 0 HE1 MET A 1 6.520 13.277 4.234 1.00 25.21 H new ATOM 0 HE2 MET A 1 6.093 14.922 3.709 1.00 25.21 H new ATOM 0 HE3 MET A 1 5.019 13.557 3.321 1.00 25.21 H new ATOM 20 N GLY A 2 4.812 13.032 -0.641 1.00 54.11 N ATOM 21 CA GLY A 2 3.376 12.757 -0.616 1.00 20.10 C ATOM 22 C GLY A 2 2.982 11.906 0.584 1.00 44.14 C ATOM 23 O GLY A 2 3.548 12.069 1.676 1.00 2.14 O ATOM 0 H GLY A 2 5.365 12.390 -0.072 1.00 54.11 H new ATOM 0 HA2 GLY A 2 2.826 13.698 -0.590 1.00 20.10 H new ATOM 0 HA3 GLY A 2 3.088 12.245 -1.534 1.00 20.10 H new ATOM 27 N LYS A 3 2.024 10.984 0.384 1.00 21.05 N ATOM 28 CA LYS A 3 1.535 10.083 1.442 1.00 41.43 C ATOM 29 C LYS A 3 1.049 8.756 0.824 1.00 45.45 C ATOM 30 O LYS A 3 0.607 8.721 -0.339 1.00 53.33 O ATOM 31 CB LYS A 3 0.429 10.774 2.273 1.00 62.44 C ATOM 32 CG LYS A 3 -0.152 9.917 3.420 1.00 11.21 C ATOM 33 CD LYS A 3 -1.172 10.651 4.316 1.00 40.34 C ATOM 34 CE LYS A 3 -2.386 11.247 3.565 1.00 24.33 C ATOM 35 NZ LYS A 3 -2.054 12.501 2.827 1.00 31.25 N ATOM 0 H LYS A 3 1.567 10.843 -0.517 1.00 21.05 H new ATOM 0 HA LYS A 3 2.353 9.851 2.123 1.00 41.43 H new ATOM 0 HB2 LYS A 3 0.833 11.694 2.695 1.00 62.44 H new ATOM 0 HB3 LYS A 3 -0.383 11.059 1.604 1.00 62.44 H new ATOM 0 HG2 LYS A 3 -0.631 9.037 2.992 1.00 11.21 H new ATOM 0 HG3 LYS A 3 0.669 9.561 4.042 1.00 11.21 H new ATOM 0 HD2 LYS A 3 -1.536 9.956 5.072 1.00 40.34 H new ATOM 0 HD3 LYS A 3 -0.659 11.455 4.843 1.00 40.34 H new ATOM 0 HE2 LYS A 3 -2.770 10.508 2.862 1.00 24.33 H new ATOM 0 HE3 LYS A 3 -3.184 11.452 4.279 1.00 24.33 H new ATOM 0 HZ1 LYS A 3 -2.698 13.261 3.126 1.00 31.25 H new ATOM 0 HZ2 LYS A 3 -1.073 12.777 3.035 1.00 31.25 H new ATOM 0 HZ3 LYS A 3 -2.159 12.340 1.805 1.00 31.25 H new ATOM 49 N VAL A 4 1.139 7.662 1.612 1.00 43.44 N ATOM 50 CA VAL A 4 0.834 6.298 1.141 1.00 71.54 C ATOM 51 C VAL A 4 0.064 5.482 2.215 1.00 73.31 C ATOM 52 O VAL A 4 0.203 5.732 3.416 1.00 74.44 O ATOM 53 CB VAL A 4 2.160 5.566 0.729 1.00 73.22 C ATOM 54 CG1 VAL A 4 3.107 5.389 1.920 1.00 63.21 C ATOM 55 CG2 VAL A 4 1.889 4.218 0.041 1.00 32.51 C ATOM 0 H VAL A 4 1.425 7.702 2.590 1.00 43.44 H new ATOM 0 HA VAL A 4 0.186 6.376 0.268 1.00 71.54 H new ATOM 0 HB VAL A 4 2.654 6.211 0.002 1.00 73.22 H new ATOM 0 HG11 VAL A 4 4.012 4.878 1.592 1.00 63.21 H new ATOM 0 HG12 VAL A 4 3.368 6.366 2.325 1.00 63.21 H new ATOM 0 HG13 VAL A 4 2.615 4.796 2.691 1.00 63.21 H new ATOM 0 HG21 VAL A 4 2.836 3.749 -0.226 1.00 32.51 H new ATOM 0 HG22 VAL A 4 1.340 3.566 0.721 1.00 32.51 H new ATOM 0 HG23 VAL A 4 1.299 4.382 -0.861 1.00 32.51 H new ATOM 65 N LEU A 5 -0.789 4.547 1.748 1.00 43.12 N ATOM 66 CA LEU A 5 -1.503 3.576 2.595 1.00 2.20 C ATOM 67 C LEU A 5 -0.885 2.185 2.374 1.00 72.21 C ATOM 68 O LEU A 5 -0.962 1.640 1.270 1.00 20.45 O ATOM 69 CB LEU A 5 -3.017 3.551 2.233 1.00 1.14 C ATOM 70 CG LEU A 5 -3.901 2.499 2.993 1.00 23.52 C ATOM 71 CD1 LEU A 5 -3.868 2.720 4.517 1.00 74.13 C ATOM 72 CD2 LEU A 5 -5.349 2.491 2.457 1.00 55.44 C ATOM 0 H LEU A 5 -1.003 4.446 0.756 1.00 43.12 H new ATOM 0 HA LEU A 5 -1.408 3.864 3.642 1.00 2.20 H new ATOM 0 HB2 LEU A 5 -3.429 4.542 2.421 1.00 1.14 H new ATOM 0 HB3 LEU A 5 -3.109 3.365 1.163 1.00 1.14 H new ATOM 0 HG LEU A 5 -3.471 1.516 2.800 1.00 23.52 H new ATOM 0 HD11 LEU A 5 -4.492 1.972 5.007 1.00 74.13 H new ATOM 0 HD12 LEU A 5 -2.843 2.629 4.876 1.00 74.13 H new ATOM 0 HD13 LEU A 5 -4.246 3.716 4.749 1.00 74.13 H new ATOM 0 HD21 LEU A 5 -5.935 1.752 3.004 1.00 55.44 H new ATOM 0 HD22 LEU A 5 -5.792 3.478 2.591 1.00 55.44 H new ATOM 0 HD23 LEU A 5 -5.343 2.237 1.397 1.00 55.44 H new ATOM 84 N LEU A 6 -0.269 1.627 3.420 1.00 23.44 N ATOM 85 CA LEU A 6 0.330 0.287 3.376 1.00 24.20 C ATOM 86 C LEU A 6 -0.755 -0.752 3.729 1.00 11.15 C ATOM 87 O LEU A 6 -0.995 -1.041 4.897 1.00 52.44 O ATOM 88 CB LEU A 6 1.526 0.215 4.373 1.00 32.33 C ATOM 89 CG LEU A 6 2.320 -1.134 4.427 1.00 4.02 C ATOM 90 CD1 LEU A 6 2.992 -1.448 3.080 1.00 73.24 C ATOM 91 CD2 LEU A 6 3.349 -1.132 5.579 1.00 62.25 C ATOM 0 H LEU A 6 -0.171 2.091 4.323 1.00 23.44 H new ATOM 0 HA LEU A 6 0.712 0.073 2.378 1.00 24.20 H new ATOM 0 HB2 LEU A 6 2.226 1.012 4.122 1.00 32.33 H new ATOM 0 HB3 LEU A 6 1.148 0.427 5.373 1.00 32.33 H new ATOM 0 HG LEU A 6 1.601 -1.928 4.626 1.00 4.02 H new ATOM 0 HD11 LEU A 6 3.534 -2.391 3.155 1.00 73.24 H new ATOM 0 HD12 LEU A 6 2.231 -1.527 2.304 1.00 73.24 H new ATOM 0 HD13 LEU A 6 3.688 -0.649 2.826 1.00 73.24 H new ATOM 0 HD21 LEU A 6 3.884 -2.082 5.591 1.00 62.25 H new ATOM 0 HD22 LEU A 6 4.058 -0.317 5.432 1.00 62.25 H new ATOM 0 HD23 LEU A 6 2.832 -0.996 6.529 1.00 62.25 H new ATOM 103 N VAL A 7 -1.433 -1.271 2.699 1.00 41.22 N ATOM 104 CA VAL A 7 -2.439 -2.338 2.841 1.00 51.22 C ATOM 105 C VAL A 7 -1.725 -3.691 2.957 1.00 72.03 C ATOM 106 O VAL A 7 -1.092 -4.151 1.997 1.00 72.55 O ATOM 107 CB VAL A 7 -3.425 -2.353 1.615 1.00 41.45 C ATOM 108 CG1 VAL A 7 -4.411 -3.546 1.675 1.00 64.43 C ATOM 109 CG2 VAL A 7 -4.183 -1.014 1.509 1.00 61.34 C ATOM 0 H VAL A 7 -1.301 -0.963 1.736 1.00 41.22 H new ATOM 0 HA VAL A 7 -3.025 -2.150 3.740 1.00 51.22 H new ATOM 0 HB VAL A 7 -2.823 -2.482 0.715 1.00 41.45 H new ATOM 0 HG11 VAL A 7 -5.072 -3.516 0.809 1.00 64.43 H new ATOM 0 HG12 VAL A 7 -3.851 -4.481 1.672 1.00 64.43 H new ATOM 0 HG13 VAL A 7 -5.005 -3.482 2.587 1.00 64.43 H new ATOM 0 HG21 VAL A 7 -4.859 -1.045 0.655 1.00 61.34 H new ATOM 0 HG22 VAL A 7 -4.757 -0.848 2.421 1.00 61.34 H new ATOM 0 HG23 VAL A 7 -3.469 -0.201 1.377 1.00 61.34 H new ATOM 119 N ILE A 8 -1.804 -4.312 4.145 1.00 4.01 N ATOM 120 CA ILE A 8 -1.180 -5.613 4.421 1.00 63.52 C ATOM 121 C ILE A 8 -2.256 -6.669 4.663 1.00 44.11 C ATOM 122 O ILE A 8 -3.198 -6.447 5.433 1.00 43.51 O ATOM 123 CB ILE A 8 -0.206 -5.564 5.657 1.00 2.43 C ATOM 124 CG1 ILE A 8 0.853 -4.439 5.462 1.00 74.23 C ATOM 125 CG2 ILE A 8 0.472 -6.946 5.897 1.00 50.04 C ATOM 126 CD1 ILE A 8 1.847 -4.300 6.592 1.00 64.43 C ATOM 0 H ILE A 8 -2.305 -3.923 4.944 1.00 4.01 H new ATOM 0 HA ILE A 8 -0.587 -5.874 3.544 1.00 63.52 H new ATOM 0 HB ILE A 8 -0.791 -5.333 6.548 1.00 2.43 H new ATOM 0 HG12 ILE A 8 1.399 -4.630 4.538 1.00 74.23 H new ATOM 0 HG13 ILE A 8 0.334 -3.489 5.335 1.00 74.23 H new ATOM 0 HG21 ILE A 8 1.138 -6.880 6.757 1.00 50.04 H new ATOM 0 HG22 ILE A 8 -0.293 -7.698 6.088 1.00 50.04 H new ATOM 0 HG23 ILE A 8 1.046 -7.228 5.014 1.00 50.04 H new ATOM 0 HD11 ILE A 8 2.543 -3.492 6.367 1.00 64.43 H new ATOM 0 HD12 ILE A 8 1.317 -4.074 7.517 1.00 64.43 H new ATOM 0 HD13 ILE A 8 2.399 -5.233 6.708 1.00 64.43 H new ATOM 138 N SER A 9 -2.090 -7.811 3.997 1.00 12.23 N ATOM 139 CA SER A 9 -2.920 -8.997 4.169 1.00 52.31 C ATOM 140 C SER A 9 -2.083 -10.223 3.781 1.00 12.44 C ATOM 141 O SER A 9 -1.140 -10.118 2.986 1.00 53.21 O ATOM 142 CB SER A 9 -4.209 -8.888 3.308 1.00 40.41 C ATOM 143 OG SER A 9 -4.929 -10.114 3.240 1.00 43.53 O ATOM 0 H SER A 9 -1.353 -7.938 3.304 1.00 12.23 H new ATOM 0 HA SER A 9 -3.240 -9.092 5.207 1.00 52.31 H new ATOM 0 HB2 SER A 9 -4.855 -8.115 3.724 1.00 40.41 H new ATOM 0 HB3 SER A 9 -3.942 -8.572 2.300 1.00 40.41 H new ATOM 0 HG SER A 9 -5.731 -9.993 2.689 1.00 43.53 H new ATOM 149 N THR A 10 -2.403 -11.365 4.380 1.00 32.14 N ATOM 150 CA THR A 10 -1.784 -12.655 4.036 1.00 12.31 C ATOM 151 C THR A 10 -2.597 -13.366 2.933 1.00 55.23 C ATOM 152 O THR A 10 -2.100 -14.285 2.269 1.00 24.02 O ATOM 153 CB THR A 10 -1.677 -13.542 5.315 1.00 23.24 C ATOM 154 OG1 THR A 10 -2.949 -13.570 5.986 1.00 10.14 O ATOM 155 CG2 THR A 10 -0.600 -13.011 6.281 1.00 14.32 C ATOM 0 H THR A 10 -3.101 -11.430 5.121 1.00 32.14 H new ATOM 0 HA THR A 10 -0.780 -12.481 3.649 1.00 12.31 H new ATOM 0 HB THR A 10 -1.391 -14.548 5.007 1.00 23.24 H new ATOM 0 HG1 THR A 10 -2.883 -14.128 6.789 1.00 10.14 H new ATOM 0 HG21 THR A 10 -0.552 -13.652 7.161 1.00 14.32 H new ATOM 0 HG22 THR A 10 0.368 -13.009 5.781 1.00 14.32 H new ATOM 0 HG23 THR A 10 -0.853 -11.996 6.586 1.00 14.32 H new ATOM 163 N ASP A 11 -3.846 -12.909 2.747 1.00 65.22 N ATOM 164 CA ASP A 11 -4.780 -13.435 1.742 1.00 13.02 C ATOM 165 C ASP A 11 -4.613 -12.685 0.415 1.00 71.54 C ATOM 166 O ASP A 11 -5.248 -11.650 0.207 1.00 50.21 O ATOM 167 CB ASP A 11 -6.235 -13.303 2.262 1.00 4.34 C ATOM 168 CG ASP A 11 -6.539 -14.241 3.434 1.00 31.05 C ATOM 169 OD1 ASP A 11 -6.228 -13.891 4.589 1.00 25.20 O ATOM 170 OD2 ASP A 11 -7.086 -15.338 3.206 1.00 1.22 O ATOM 0 H ASP A 11 -4.241 -12.150 3.302 1.00 65.22 H new ATOM 0 HA ASP A 11 -4.561 -14.489 1.568 1.00 13.02 H new ATOM 0 HB2 ASP A 11 -6.412 -12.273 2.573 1.00 4.34 H new ATOM 0 HB3 ASP A 11 -6.927 -13.513 1.446 1.00 4.34 H new ATOM 175 N THR A 12 -3.742 -13.210 -0.469 1.00 62.10 N ATOM 176 CA THR A 12 -3.459 -12.624 -1.797 1.00 73.55 C ATOM 177 C THR A 12 -4.693 -12.636 -2.718 1.00 70.21 C ATOM 178 O THR A 12 -4.788 -11.824 -3.639 1.00 62.11 O ATOM 179 CB THR A 12 -2.264 -13.360 -2.490 1.00 71.31 C ATOM 180 OG1 THR A 12 -2.515 -14.779 -2.526 1.00 4.14 O ATOM 181 CG2 THR A 12 -0.931 -13.093 -1.764 1.00 41.20 C ATOM 0 H THR A 12 -3.210 -14.060 -0.281 1.00 62.10 H new ATOM 0 HA THR A 12 -3.186 -11.583 -1.627 1.00 73.55 H new ATOM 0 HB THR A 12 -2.181 -12.971 -3.505 1.00 71.31 H new ATOM 0 HG1 THR A 12 -1.764 -15.233 -2.962 1.00 4.14 H new ATOM 0 HG21 THR A 12 -0.126 -13.621 -2.275 1.00 41.20 H new ATOM 0 HG22 THR A 12 -0.723 -12.023 -1.768 1.00 41.20 H new ATOM 0 HG23 THR A 12 -1.000 -13.446 -0.735 1.00 41.20 H new ATOM 189 N ASN A 13 -5.630 -13.564 -2.456 1.00 43.21 N ATOM 190 CA ASN A 13 -6.914 -13.631 -3.176 1.00 45.53 C ATOM 191 C ASN A 13 -7.787 -12.399 -2.842 1.00 72.30 C ATOM 192 O ASN A 13 -8.468 -11.867 -3.718 1.00 40.22 O ATOM 193 CB ASN A 13 -7.649 -14.969 -2.858 1.00 14.41 C ATOM 194 CG ASN A 13 -7.954 -15.199 -1.364 1.00 24.01 C ATOM 195 OD1 ASN A 13 -7.266 -14.692 -0.483 1.00 42.30 O ATOM 196 ND2 ASN A 13 -8.963 -16.006 -1.067 1.00 1.33 N ATOM 0 H ASN A 13 -5.520 -14.285 -1.743 1.00 43.21 H new ATOM 0 HA ASN A 13 -6.720 -13.612 -4.248 1.00 45.53 H new ATOM 0 HB2 ASN A 13 -8.586 -14.994 -3.414 1.00 14.41 H new ATOM 0 HB3 ASN A 13 -7.041 -15.797 -3.222 1.00 14.41 H new ATOM 0 HD21 ASN A 13 -9.179 -16.215 -0.092 1.00 1.33 H new ATOM 0 HD22 ASN A 13 -9.523 -16.418 -1.813 1.00 1.33 H new ATOM 203 N ILE A 14 -7.729 -11.934 -1.576 1.00 23.50 N ATOM 204 CA ILE A 14 -8.437 -10.715 -1.131 1.00 12.24 C ATOM 205 C ILE A 14 -7.720 -9.455 -1.647 1.00 61.20 C ATOM 206 O ILE A 14 -8.368 -8.535 -2.150 1.00 32.24 O ATOM 207 CB ILE A 14 -8.555 -10.663 0.438 1.00 64.31 C ATOM 208 CG1 ILE A 14 -9.406 -11.861 0.976 1.00 44.31 C ATOM 209 CG2 ILE A 14 -9.118 -9.310 0.934 1.00 75.24 C ATOM 210 CD1 ILE A 14 -10.818 -11.973 0.410 1.00 1.44 C ATOM 0 H ILE A 14 -7.193 -12.390 -0.837 1.00 23.50 H new ATOM 0 HA ILE A 14 -9.444 -10.747 -1.548 1.00 12.24 H new ATOM 0 HB ILE A 14 -7.546 -10.755 0.840 1.00 64.31 H new ATOM 0 HG12 ILE A 14 -8.873 -12.787 0.761 1.00 44.31 H new ATOM 0 HG13 ILE A 14 -9.474 -11.777 2.061 1.00 44.31 H new ATOM 0 HG21 ILE A 14 -9.182 -9.319 2.022 1.00 75.24 H new ATOM 0 HG22 ILE A 14 -8.458 -8.503 0.616 1.00 75.24 H new ATOM 0 HG23 ILE A 14 -10.111 -9.153 0.514 1.00 75.24 H new ATOM 0 HD11 ILE A 14 -11.319 -12.836 0.849 1.00 1.44 H new ATOM 0 HD12 ILE A 14 -11.378 -11.069 0.648 1.00 1.44 H new ATOM 0 HD13 ILE A 14 -10.768 -12.095 -0.672 1.00 1.44 H new ATOM 222 N ILE A 15 -6.378 -9.446 -1.517 1.00 73.22 N ATOM 223 CA ILE A 15 -5.517 -8.329 -1.939 1.00 4.13 C ATOM 224 C ILE A 15 -5.753 -8.004 -3.412 1.00 71.54 C ATOM 225 O ILE A 15 -6.105 -6.881 -3.738 1.00 23.42 O ATOM 226 CB ILE A 15 -4.002 -8.672 -1.712 1.00 22.44 C ATOM 227 CG1 ILE A 15 -3.722 -8.941 -0.213 1.00 1.40 C ATOM 228 CG2 ILE A 15 -3.079 -7.555 -2.242 1.00 73.03 C ATOM 229 CD1 ILE A 15 -2.367 -9.549 0.071 1.00 50.01 C ATOM 0 H ILE A 15 -5.858 -10.224 -1.111 1.00 73.22 H new ATOM 0 HA ILE A 15 -5.773 -7.460 -1.333 1.00 4.13 H new ATOM 0 HB ILE A 15 -3.783 -9.578 -2.277 1.00 22.44 H new ATOM 0 HG12 ILE A 15 -3.807 -8.002 0.334 1.00 1.40 H new ATOM 0 HG13 ILE A 15 -4.494 -9.606 0.174 1.00 1.40 H new ATOM 0 HG21 ILE A 15 -2.039 -7.829 -2.067 1.00 73.03 H new ATOM 0 HG22 ILE A 15 -3.244 -7.423 -3.311 1.00 73.03 H new ATOM 0 HG23 ILE A 15 -3.301 -6.623 -1.723 1.00 73.03 H new ATOM 0 HD11 ILE A 15 -2.255 -9.704 1.144 1.00 50.01 H new ATOM 0 HD12 ILE A 15 -2.282 -10.506 -0.444 1.00 50.01 H new ATOM 0 HD13 ILE A 15 -1.585 -8.876 -0.282 1.00 50.01 H new ATOM 241 N SER A 16 -5.604 -9.033 -4.268 1.00 44.55 N ATOM 242 CA SER A 16 -5.780 -8.921 -5.719 1.00 71.12 C ATOM 243 C SER A 16 -7.216 -8.495 -6.077 1.00 71.52 C ATOM 244 O SER A 16 -7.401 -7.706 -6.999 1.00 0.21 O ATOM 245 CB SER A 16 -5.422 -10.261 -6.399 1.00 31.15 C ATOM 246 OG SER A 16 -5.544 -10.193 -7.811 1.00 5.14 O ATOM 0 H SER A 16 -5.355 -9.974 -3.963 1.00 44.55 H new ATOM 0 HA SER A 16 -5.106 -8.147 -6.087 1.00 71.12 H new ATOM 0 HB2 SER A 16 -4.401 -10.539 -6.137 1.00 31.15 H new ATOM 0 HB3 SER A 16 -6.074 -11.046 -6.017 1.00 31.15 H new ATOM 0 HG SER A 16 -5.307 -11.060 -8.202 1.00 5.14 H new ATOM 252 N SER A 17 -8.215 -8.995 -5.308 1.00 61.03 N ATOM 253 CA SER A 17 -9.638 -8.710 -5.558 1.00 24.43 C ATOM 254 C SER A 17 -9.930 -7.215 -5.366 1.00 61.22 C ATOM 255 O SER A 17 -10.440 -6.559 -6.273 1.00 14.34 O ATOM 256 CB SER A 17 -10.541 -9.563 -4.633 1.00 13.21 C ATOM 257 OG SER A 17 -11.900 -9.451 -5.012 1.00 11.41 O ATOM 0 H SER A 17 -8.052 -9.602 -4.505 1.00 61.03 H new ATOM 0 HA SER A 17 -9.862 -8.976 -6.591 1.00 24.43 H new ATOM 0 HB2 SER A 17 -10.231 -10.607 -4.678 1.00 13.21 H new ATOM 0 HB3 SER A 17 -10.419 -9.239 -3.599 1.00 13.21 H new ATOM 0 HG SER A 17 -12.291 -10.346 -5.097 1.00 11.41 H new ATOM 263 N VAL A 18 -9.557 -6.698 -4.184 1.00 61.22 N ATOM 264 CA VAL A 18 -9.731 -5.285 -3.812 1.00 23.11 C ATOM 265 C VAL A 18 -8.876 -4.374 -4.704 1.00 63.33 C ATOM 266 O VAL A 18 -9.290 -3.276 -5.051 1.00 21.05 O ATOM 267 CB VAL A 18 -9.355 -5.050 -2.306 1.00 73.13 C ATOM 268 CG1 VAL A 18 -9.471 -3.557 -1.925 1.00 45.21 C ATOM 269 CG2 VAL A 18 -10.229 -5.926 -1.385 1.00 55.51 C ATOM 0 H VAL A 18 -9.121 -7.257 -3.451 1.00 61.22 H new ATOM 0 HA VAL A 18 -10.782 -5.035 -3.956 1.00 23.11 H new ATOM 0 HB VAL A 18 -8.314 -5.344 -2.169 1.00 73.13 H new ATOM 0 HG11 VAL A 18 -9.204 -3.427 -0.876 1.00 45.21 H new ATOM 0 HG12 VAL A 18 -8.795 -2.969 -2.547 1.00 45.21 H new ATOM 0 HG13 VAL A 18 -10.495 -3.220 -2.083 1.00 45.21 H new ATOM 0 HG21 VAL A 18 -9.953 -5.749 -0.345 1.00 55.51 H new ATOM 0 HG22 VAL A 18 -11.279 -5.672 -1.530 1.00 55.51 H new ATOM 0 HG23 VAL A 18 -10.073 -6.977 -1.628 1.00 55.51 H new ATOM 279 N GLN A 19 -7.689 -4.865 -5.057 1.00 11.40 N ATOM 280 CA GLN A 19 -6.733 -4.174 -5.932 1.00 11.31 C ATOM 281 C GLN A 19 -7.339 -3.936 -7.315 1.00 1.50 C ATOM 282 O GLN A 19 -7.200 -2.846 -7.869 1.00 51.42 O ATOM 283 CB GLN A 19 -5.463 -5.035 -6.023 1.00 43.40 C ATOM 284 CG GLN A 19 -4.330 -4.509 -6.905 1.00 74.35 C ATOM 285 CD GLN A 19 -3.196 -5.528 -7.069 1.00 32.05 C ATOM 286 OE1 GLN A 19 -2.547 -5.581 -8.114 1.00 24.44 O ATOM 287 NE2 GLN A 19 -2.918 -6.333 -6.037 1.00 21.12 N ATOM 0 H GLN A 19 -7.354 -5.774 -4.738 1.00 11.40 H new ATOM 0 HA GLN A 19 -6.486 -3.196 -5.520 1.00 11.31 H new ATOM 0 HB2 GLN A 19 -5.072 -5.170 -5.014 1.00 43.40 H new ATOM 0 HB3 GLN A 19 -5.748 -6.021 -6.389 1.00 43.40 H new ATOM 0 HG2 GLN A 19 -4.727 -4.251 -7.887 1.00 74.35 H new ATOM 0 HG3 GLN A 19 -3.931 -3.592 -6.471 1.00 74.35 H new ATOM 0 HE21 GLN A 19 -3.468 -6.272 -5.180 1.00 21.12 H new ATOM 0 HE22 GLN A 19 -2.156 -7.007 -6.107 1.00 21.12 H new ATOM 296 N GLU A 20 -8.041 -4.961 -7.839 1.00 70.23 N ATOM 297 CA GLU A 20 -8.806 -4.844 -9.087 1.00 12.50 C ATOM 298 C GLU A 20 -9.890 -3.773 -8.932 1.00 54.22 C ATOM 299 O GLU A 20 -9.936 -2.822 -9.706 1.00 14.15 O ATOM 300 CB GLU A 20 -9.451 -6.203 -9.483 1.00 33.11 C ATOM 301 CG GLU A 20 -8.461 -7.286 -9.949 1.00 14.04 C ATOM 302 CD GLU A 20 -7.654 -6.880 -11.197 1.00 64.00 C ATOM 303 OE1 GLU A 20 -8.205 -6.914 -12.320 1.00 25.01 O ATOM 304 OE2 GLU A 20 -6.477 -6.492 -11.062 1.00 30.21 O ATOM 0 H GLU A 20 -8.091 -5.885 -7.409 1.00 70.23 H new ATOM 0 HA GLU A 20 -8.119 -4.554 -9.882 1.00 12.50 H new ATOM 0 HB2 GLU A 20 -10.008 -6.586 -8.628 1.00 33.11 H new ATOM 0 HB3 GLU A 20 -10.173 -6.026 -10.280 1.00 33.11 H new ATOM 0 HG2 GLU A 20 -7.771 -7.511 -9.136 1.00 14.04 H new ATOM 0 HG3 GLU A 20 -9.011 -8.203 -10.163 1.00 14.04 H new ATOM 311 N ARG A 21 -10.715 -3.929 -7.880 1.00 74.14 N ATOM 312 CA ARG A 21 -11.841 -3.025 -7.581 1.00 30.21 C ATOM 313 C ARG A 21 -11.371 -1.565 -7.467 1.00 52.21 C ATOM 314 O ARG A 21 -12.039 -0.664 -7.943 1.00 51.22 O ATOM 315 CB ARG A 21 -12.524 -3.454 -6.264 1.00 63.33 C ATOM 316 CG ARG A 21 -13.078 -4.893 -6.264 1.00 43.54 C ATOM 317 CD ARG A 21 -13.585 -5.326 -4.876 1.00 61.33 C ATOM 318 NE ARG A 21 -13.687 -6.793 -4.740 1.00 64.12 N ATOM 319 CZ ARG A 21 -14.319 -7.440 -3.745 1.00 40.40 C ATOM 320 NH1 ARG A 21 -14.942 -6.775 -2.769 1.00 14.33 N ATOM 321 NH2 ARG A 21 -14.282 -8.767 -3.707 1.00 60.14 N ATOM 0 H ARG A 21 -10.618 -4.691 -7.209 1.00 74.14 H new ATOM 0 HA ARG A 21 -12.553 -3.091 -8.404 1.00 30.21 H new ATOM 0 HB2 ARG A 21 -11.806 -3.356 -5.450 1.00 63.33 H new ATOM 0 HB3 ARG A 21 -13.342 -2.765 -6.053 1.00 63.33 H new ATOM 0 HG2 ARG A 21 -13.893 -4.966 -6.985 1.00 43.54 H new ATOM 0 HG3 ARG A 21 -12.298 -5.580 -6.594 1.00 43.54 H new ATOM 0 HD2 ARG A 21 -12.912 -4.940 -4.111 1.00 61.33 H new ATOM 0 HD3 ARG A 21 -14.563 -4.879 -4.695 1.00 61.33 H new ATOM 0 HE ARG A 21 -13.242 -7.362 -5.460 1.00 64.12 H new ATOM 0 HH11 ARG A 21 -14.945 -5.755 -2.768 1.00 14.33 H new ATOM 0 HH12 ARG A 21 -15.415 -7.287 -2.024 1.00 14.33 H new ATOM 0 HH21 ARG A 21 -13.778 -9.284 -4.428 1.00 60.14 H new ATOM 0 HH22 ARG A 21 -14.757 -9.269 -2.957 1.00 60.14 H new ATOM 335 N ALA A 22 -10.187 -1.372 -6.870 1.00 42.05 N ATOM 336 CA ALA A 22 -9.619 -0.049 -6.600 1.00 62.42 C ATOM 337 C ALA A 22 -9.114 0.603 -7.895 1.00 63.54 C ATOM 338 O ALA A 22 -9.335 1.788 -8.118 1.00 2.12 O ATOM 339 CB ALA A 22 -8.487 -0.164 -5.571 1.00 15.30 C ATOM 0 H ALA A 22 -9.592 -2.140 -6.559 1.00 42.05 H new ATOM 0 HA ALA A 22 -10.401 0.589 -6.189 1.00 62.42 H new ATOM 0 HB1 ALA A 22 -8.071 0.824 -5.376 1.00 15.30 H new ATOM 0 HB2 ALA A 22 -8.879 -0.582 -4.644 1.00 15.30 H new ATOM 0 HB3 ALA A 22 -7.706 -0.817 -5.961 1.00 15.30 H new ATOM 345 N LYS A 23 -8.437 -0.196 -8.744 1.00 42.54 N ATOM 346 CA LYS A 23 -7.856 0.290 -10.016 1.00 40.01 C ATOM 347 C LYS A 23 -8.939 0.533 -11.080 1.00 53.04 C ATOM 348 O LYS A 23 -8.800 1.431 -11.909 1.00 2.52 O ATOM 349 CB LYS A 23 -6.794 -0.713 -10.553 1.00 70.14 C ATOM 350 CG LYS A 23 -5.523 -0.821 -9.678 1.00 74.11 C ATOM 351 CD LYS A 23 -4.482 -1.806 -10.265 1.00 12.24 C ATOM 352 CE LYS A 23 -3.223 -1.932 -9.391 1.00 72.14 C ATOM 353 NZ LYS A 23 -2.209 -2.838 -10.001 1.00 22.12 N ATOM 0 H LYS A 23 -8.277 -1.189 -8.571 1.00 42.54 H new ATOM 0 HA LYS A 23 -7.371 1.244 -9.808 1.00 40.01 H new ATOM 0 HB2 LYS A 23 -7.251 -1.699 -10.634 1.00 70.14 H new ATOM 0 HB3 LYS A 23 -6.504 -0.413 -11.560 1.00 70.14 H new ATOM 0 HG2 LYS A 23 -5.070 0.165 -9.578 1.00 74.11 H new ATOM 0 HG3 LYS A 23 -5.802 -1.147 -8.676 1.00 74.11 H new ATOM 0 HD2 LYS A 23 -4.941 -2.788 -10.377 1.00 12.24 H new ATOM 0 HD3 LYS A 23 -4.195 -1.473 -11.262 1.00 12.24 H new ATOM 0 HE2 LYS A 23 -2.785 -0.945 -9.242 1.00 72.14 H new ATOM 0 HE3 LYS A 23 -3.501 -2.309 -8.407 1.00 72.14 H new ATOM 0 HZ1 LYS A 23 -1.265 -2.408 -9.919 1.00 22.12 H new ATOM 0 HZ2 LYS A 23 -2.217 -3.752 -9.505 1.00 22.12 H new ATOM 0 HZ3 LYS A 23 -2.436 -2.987 -11.005 1.00 22.12 H new ATOM 367 N HIS A 24 -10.008 -0.282 -11.064 1.00 43.12 N ATOM 368 CA HIS A 24 -11.090 -0.203 -12.067 1.00 73.53 C ATOM 369 C HIS A 24 -12.140 0.855 -11.669 1.00 12.04 C ATOM 370 O HIS A 24 -12.743 1.485 -12.543 1.00 52.02 O ATOM 371 CB HIS A 24 -11.756 -1.587 -12.288 1.00 61.05 C ATOM 372 CG HIS A 24 -10.836 -2.643 -12.860 1.00 71.10 C ATOM 373 ND1 HIS A 24 -10.110 -2.471 -14.025 1.00 4.42 N ATOM 374 CD2 HIS A 24 -10.529 -3.889 -12.425 1.00 73.35 C ATOM 375 CE1 HIS A 24 -9.408 -3.559 -14.270 1.00 53.35 C ATOM 376 NE2 HIS A 24 -9.645 -4.430 -13.313 1.00 34.44 N ATOM 0 H HIS A 24 -10.148 -1.009 -10.363 1.00 43.12 H new ATOM 0 HA HIS A 24 -10.641 0.106 -13.011 1.00 73.53 H new ATOM 0 HB2 HIS A 24 -12.149 -1.943 -11.336 1.00 61.05 H new ATOM 0 HB3 HIS A 24 -12.607 -1.464 -12.958 1.00 61.05 H new ATOM 0 HD2 HIS A 24 -10.914 -4.367 -11.537 1.00 73.35 H new ATOM 0 HE1 HIS A 24 -8.750 -3.710 -15.113 1.00 53.35 H new ATOM 0 HE2 HIS A 24 -9.234 -5.361 -13.245 1.00 34.44 H new ATOM 385 N ASN A 25 -12.354 1.045 -10.349 1.00 55.14 N ATOM 386 CA ASN A 25 -13.290 2.074 -9.831 1.00 43.25 C ATOM 387 C ASN A 25 -12.596 3.442 -9.817 1.00 33.32 C ATOM 388 O ASN A 25 -13.233 4.473 -10.045 1.00 71.34 O ATOM 389 CB ASN A 25 -13.791 1.728 -8.396 1.00 15.13 C ATOM 390 CG ASN A 25 -15.015 2.538 -7.965 1.00 54.45 C ATOM 391 OD1 ASN A 25 -16.149 2.072 -8.069 1.00 51.44 O ATOM 392 ND2 ASN A 25 -14.812 3.768 -7.523 1.00 13.32 N ATOM 0 H ASN A 25 -11.892 0.501 -9.620 1.00 55.14 H new ATOM 0 HA ASN A 25 -14.157 2.101 -10.492 1.00 43.25 H new ATOM 0 HB2 ASN A 25 -14.033 0.666 -8.351 1.00 15.13 H new ATOM 0 HB3 ASN A 25 -12.982 1.901 -7.686 1.00 15.13 H new ATOM 0 HD21 ASN A 25 -15.605 4.353 -7.259 1.00 13.32 H new ATOM 0 HD22 ASN A 25 -13.862 4.132 -7.446 1.00 13.32 H new ATOM 399 N TYR A 26 -11.273 3.435 -9.531 1.00 62.52 N ATOM 400 CA TYR A 26 -10.429 4.649 -9.524 1.00 62.24 C ATOM 401 C TYR A 26 -9.285 4.482 -10.564 1.00 1.23 C ATOM 402 O TYR A 26 -8.142 4.169 -10.197 1.00 24.24 O ATOM 403 CB TYR A 26 -9.870 4.921 -8.082 1.00 23.11 C ATOM 404 CG TYR A 26 -10.950 4.872 -6.977 1.00 33.12 C ATOM 405 CD1 TYR A 26 -11.853 5.928 -6.792 1.00 4.21 C ATOM 406 CD2 TYR A 26 -11.096 3.747 -6.148 1.00 74.32 C ATOM 407 CE1 TYR A 26 -12.854 5.855 -5.837 1.00 45.33 C ATOM 408 CE2 TYR A 26 -12.089 3.681 -5.184 1.00 25.14 C ATOM 409 CZ TYR A 26 -12.967 4.734 -5.039 1.00 22.05 C ATOM 410 OH TYR A 26 -13.989 4.651 -4.119 1.00 25.52 O ATOM 0 H TYR A 26 -10.761 2.584 -9.298 1.00 62.52 H new ATOM 0 HA TYR A 26 -11.027 5.516 -9.805 1.00 62.24 H new ATOM 0 HB2 TYR A 26 -9.098 4.185 -7.856 1.00 23.11 H new ATOM 0 HB3 TYR A 26 -9.391 5.900 -8.066 1.00 23.11 H new ATOM 0 HD1 TYR A 26 -11.767 6.814 -7.404 1.00 4.21 H new ATOM 0 HD2 TYR A 26 -10.418 2.914 -6.265 1.00 74.32 H new ATOM 0 HE1 TYR A 26 -13.546 6.675 -5.717 1.00 45.33 H new ATOM 0 HE2 TYR A 26 -12.175 2.811 -4.550 1.00 25.14 H new ATOM 0 HH TYR A 26 -14.450 3.792 -4.219 1.00 25.52 H new ATOM 420 N PRO A 27 -9.592 4.662 -11.897 1.00 14.33 N ATOM 421 CA PRO A 27 -8.613 4.426 -12.987 1.00 14.31 C ATOM 422 C PRO A 27 -7.606 5.582 -13.162 1.00 53.14 C ATOM 423 O PRO A 27 -6.544 5.399 -13.768 1.00 52.30 O ATOM 424 CB PRO A 27 -9.523 4.251 -14.224 1.00 41.15 C ATOM 425 CG PRO A 27 -10.718 5.122 -13.949 1.00 22.41 C ATOM 426 CD PRO A 27 -10.913 5.112 -12.439 1.00 74.21 C ATOM 0 HA PRO A 27 -7.970 3.568 -12.793 1.00 14.31 H new ATOM 0 HB2 PRO A 27 -9.012 4.557 -15.137 1.00 41.15 H new ATOM 0 HB3 PRO A 27 -9.815 3.209 -14.356 1.00 41.15 H new ATOM 0 HG2 PRO A 27 -10.553 6.136 -14.313 1.00 22.41 H new ATOM 0 HG3 PRO A 27 -11.603 4.741 -14.458 1.00 22.41 H new ATOM 0 HD2 PRO A 27 -11.180 6.101 -12.066 1.00 74.21 H new ATOM 0 HD3 PRO A 27 -11.715 4.434 -12.146 1.00 74.21 H new ATOM 434 N GLY A 28 -7.949 6.757 -12.604 1.00 12.44 N ATOM 435 CA GLY A 28 -7.089 7.938 -12.635 1.00 4.04 C ATOM 436 C GLY A 28 -6.307 8.100 -11.344 1.00 22.15 C ATOM 437 O GLY A 28 -6.029 9.224 -10.922 1.00 4.13 O ATOM 0 H GLY A 28 -8.834 6.907 -12.119 1.00 12.44 H new ATOM 0 HA2 GLY A 28 -6.396 7.861 -13.473 1.00 4.04 H new ATOM 0 HA3 GLY A 28 -7.697 8.826 -12.805 1.00 4.04 H new ATOM 441 N ARG A 29 -5.959 6.967 -10.705 1.00 53.15 N ATOM 442 CA ARG A 29 -5.154 6.952 -9.475 1.00 50.13 C ATOM 443 C ARG A 29 -3.936 6.041 -9.656 1.00 73.25 C ATOM 444 O ARG A 29 -4.049 4.933 -10.202 1.00 42.42 O ATOM 445 CB ARG A 29 -6.005 6.478 -8.266 1.00 43.30 C ATOM 446 CG ARG A 29 -5.262 6.478 -6.901 1.00 70.30 C ATOM 447 CD ARG A 29 -4.672 7.858 -6.538 1.00 12.02 C ATOM 448 NE ARG A 29 -5.706 8.910 -6.527 1.00 45.11 N ATOM 449 CZ ARG A 29 -5.484 10.233 -6.625 1.00 70.34 C ATOM 450 NH1 ARG A 29 -4.252 10.725 -6.727 1.00 52.10 N ATOM 451 NH2 ARG A 29 -6.514 11.064 -6.654 1.00 64.03 N ATOM 0 H ARG A 29 -6.229 6.038 -11.029 1.00 53.15 H new ATOM 0 HA ARG A 29 -4.811 7.967 -9.274 1.00 50.13 H new ATOM 0 HB2 ARG A 29 -6.883 7.119 -8.185 1.00 43.30 H new ATOM 0 HB3 ARG A 29 -6.365 5.469 -8.467 1.00 43.30 H new ATOM 0 HG2 ARG A 29 -5.952 6.166 -6.117 1.00 70.30 H new ATOM 0 HG3 ARG A 29 -4.459 5.741 -6.930 1.00 70.30 H new ATOM 0 HD2 ARG A 29 -4.198 7.804 -5.558 1.00 12.02 H new ATOM 0 HD3 ARG A 29 -3.894 8.121 -7.255 1.00 12.02 H new ATOM 0 HE ARG A 29 -6.676 8.607 -6.437 1.00 45.11 H new ATOM 0 HH11 ARG A 29 -3.450 10.095 -6.732 1.00 52.10 H new ATOM 0 HH12 ARG A 29 -4.110 11.732 -6.800 1.00 52.10 H new ATOM 0 HH21 ARG A 29 -7.465 10.699 -6.602 1.00 64.03 H new ATOM 0 HH22 ARG A 29 -6.356 12.069 -6.728 1.00 64.03 H new ATOM 465 N GLU A 30 -2.774 6.529 -9.200 1.00 22.34 N ATOM 466 CA GLU A 30 -1.565 5.728 -9.074 1.00 52.43 C ATOM 467 C GLU A 30 -1.718 4.822 -7.838 1.00 4.21 C ATOM 468 O GLU A 30 -1.711 5.299 -6.698 1.00 65.43 O ATOM 469 CB GLU A 30 -0.329 6.650 -8.930 1.00 42.34 C ATOM 470 CG GLU A 30 -0.109 7.653 -10.080 1.00 71.32 C ATOM 471 CD GLU A 30 0.171 6.982 -11.435 1.00 43.14 C ATOM 472 OE1 GLU A 30 1.304 6.500 -11.646 1.00 54.23 O ATOM 473 OE2 GLU A 30 -0.733 6.935 -12.294 1.00 33.41 O ATOM 0 H GLU A 30 -2.654 7.499 -8.908 1.00 22.34 H new ATOM 0 HA GLU A 30 -1.420 5.115 -9.964 1.00 52.43 H new ATOM 0 HB2 GLU A 30 -0.421 7.208 -7.998 1.00 42.34 H new ATOM 0 HB3 GLU A 30 0.560 6.025 -8.842 1.00 42.34 H new ATOM 0 HG2 GLU A 30 -0.991 8.286 -10.173 1.00 71.32 H new ATOM 0 HG3 GLU A 30 0.727 8.306 -9.827 1.00 71.32 H new ATOM 480 N ILE A 31 -1.954 3.536 -8.080 1.00 34.11 N ATOM 481 CA ILE A 31 -2.035 2.501 -7.034 1.00 54.43 C ATOM 482 C ILE A 31 -0.839 1.560 -7.213 1.00 1.13 C ATOM 483 O ILE A 31 -0.400 1.338 -8.345 1.00 25.41 O ATOM 484 CB ILE A 31 -3.401 1.725 -7.133 1.00 52.03 C ATOM 485 CG1 ILE A 31 -4.585 2.715 -6.898 1.00 15.10 C ATOM 486 CG2 ILE A 31 -3.465 0.524 -6.150 1.00 34.43 C ATOM 487 CD1 ILE A 31 -5.960 2.104 -7.045 1.00 42.03 C ATOM 0 H ILE A 31 -2.098 3.170 -9.021 1.00 34.11 H new ATOM 0 HA ILE A 31 -1.999 2.952 -6.042 1.00 54.43 H new ATOM 0 HB ILE A 31 -3.482 1.306 -8.136 1.00 52.03 H new ATOM 0 HG12 ILE A 31 -4.495 3.136 -5.897 1.00 15.10 H new ATOM 0 HG13 ILE A 31 -4.493 3.543 -7.601 1.00 15.10 H new ATOM 0 HG21 ILE A 31 -4.425 0.019 -6.254 1.00 34.43 H new ATOM 0 HG22 ILE A 31 -2.661 -0.176 -6.378 1.00 34.43 H new ATOM 0 HG23 ILE A 31 -3.354 0.884 -5.127 1.00 34.43 H new ATOM 0 HD11 ILE A 31 -6.718 2.866 -6.864 1.00 42.03 H new ATOM 0 HD12 ILE A 31 -6.077 1.709 -8.054 1.00 42.03 H new ATOM 0 HD13 ILE A 31 -6.078 1.296 -6.323 1.00 42.03 H new ATOM 499 N ARG A 32 -0.297 1.033 -6.102 1.00 4.55 N ATOM 500 CA ARG A 32 0.895 0.162 -6.108 1.00 51.05 C ATOM 501 C ARG A 32 0.583 -1.221 -5.528 1.00 41.02 C ATOM 502 O ARG A 32 -0.450 -1.425 -4.877 1.00 31.04 O ATOM 503 CB ARG A 32 2.057 0.828 -5.320 1.00 31.35 C ATOM 504 CG ARG A 32 2.757 1.990 -6.058 1.00 54.14 C ATOM 505 CD ARG A 32 3.324 1.559 -7.428 1.00 70.42 C ATOM 506 NE ARG A 32 4.333 2.502 -7.954 1.00 11.12 N ATOM 507 CZ ARG A 32 5.646 2.231 -8.067 1.00 5.03 C ATOM 508 NH1 ARG A 32 6.137 1.051 -7.690 1.00 62.42 N ATOM 509 NH2 ARG A 32 6.463 3.131 -8.579 1.00 22.24 N ATOM 0 H ARG A 32 -0.674 1.199 -5.169 1.00 4.55 H new ATOM 0 HA ARG A 32 1.202 0.027 -7.145 1.00 51.05 H new ATOM 0 HB2 ARG A 32 1.668 1.200 -4.372 1.00 31.35 H new ATOM 0 HB3 ARG A 32 2.800 0.067 -5.083 1.00 31.35 H new ATOM 0 HG2 ARG A 32 2.048 2.806 -6.201 1.00 54.14 H new ATOM 0 HG3 ARG A 32 3.566 2.376 -5.438 1.00 54.14 H new ATOM 0 HD2 ARG A 32 3.772 0.570 -7.335 1.00 70.42 H new ATOM 0 HD3 ARG A 32 2.506 1.473 -8.143 1.00 70.42 H new ATOM 0 HE ARG A 32 4.011 3.423 -8.252 1.00 11.12 H new ATOM 0 HH11 ARG A 32 5.515 0.338 -7.309 1.00 62.42 H new ATOM 0 HH12 ARG A 32 7.135 0.861 -7.782 1.00 62.42 H new ATOM 0 HH21 ARG A 32 6.099 4.032 -8.889 1.00 22.24 H new ATOM 0 HH22 ARG A 32 7.458 2.926 -8.665 1.00 22.24 H new ATOM 523 N THR A 33 1.502 -2.163 -5.783 1.00 40.40 N ATOM 524 CA THR A 33 1.402 -3.549 -5.328 1.00 21.22 C ATOM 525 C THR A 33 2.817 -4.122 -5.131 1.00 24.42 C ATOM 526 O THR A 33 3.539 -4.348 -6.111 1.00 3.54 O ATOM 527 CB THR A 33 0.600 -4.429 -6.347 1.00 25.34 C ATOM 528 OG1 THR A 33 -0.669 -3.815 -6.639 1.00 5.34 O ATOM 529 CG2 THR A 33 0.367 -5.854 -5.809 1.00 72.32 C ATOM 0 H THR A 33 2.348 -1.976 -6.321 1.00 40.40 H new ATOM 0 HA THR A 33 0.862 -3.565 -4.382 1.00 21.22 H new ATOM 0 HB THR A 33 1.195 -4.501 -7.257 1.00 25.34 H new ATOM 0 HG1 THR A 33 -0.942 -4.047 -7.551 1.00 5.34 H new ATOM 0 HG21 THR A 33 -0.192 -6.433 -6.544 1.00 72.32 H new ATOM 0 HG22 THR A 33 1.328 -6.334 -5.623 1.00 72.32 H new ATOM 0 HG23 THR A 33 -0.200 -5.804 -4.879 1.00 72.32 H new ATOM 537 N ALA A 34 3.223 -4.337 -3.871 1.00 30.21 N ATOM 538 CA ALA A 34 4.585 -4.789 -3.542 1.00 62.10 C ATOM 539 C ALA A 34 4.621 -6.287 -3.208 1.00 73.02 C ATOM 540 O ALA A 34 3.732 -6.806 -2.539 1.00 10.04 O ATOM 541 CB ALA A 34 5.146 -3.974 -2.371 1.00 15.14 C ATOM 0 H ALA A 34 2.623 -4.204 -3.057 1.00 30.21 H new ATOM 0 HA ALA A 34 5.207 -4.630 -4.423 1.00 62.10 H new ATOM 0 HB1 ALA A 34 6.154 -4.318 -2.138 1.00 15.14 H new ATOM 0 HB2 ALA A 34 5.177 -2.919 -2.644 1.00 15.14 H new ATOM 0 HB3 ALA A 34 4.507 -4.104 -1.498 1.00 15.14 H new ATOM 547 N THR A 35 5.654 -6.964 -3.712 1.00 3.00 N ATOM 548 CA THR A 35 5.990 -8.345 -3.332 1.00 43.33 C ATOM 549 C THR A 35 7.054 -8.330 -2.211 1.00 42.41 C ATOM 550 O THR A 35 6.939 -9.055 -1.211 1.00 75.41 O ATOM 551 CB THR A 35 6.521 -9.138 -4.576 1.00 64.31 C ATOM 552 OG1 THR A 35 5.529 -9.134 -5.617 1.00 71.21 O ATOM 553 CG2 THR A 35 6.902 -10.589 -4.234 1.00 33.02 C ATOM 0 H THR A 35 6.291 -6.568 -4.404 1.00 3.00 H new ATOM 0 HA THR A 35 5.092 -8.843 -2.965 1.00 43.33 H new ATOM 0 HB THR A 35 7.426 -8.634 -4.914 1.00 64.31 H new ATOM 0 HG1 THR A 35 5.867 -9.629 -6.392 1.00 71.21 H new ATOM 0 HG21 THR A 35 7.263 -11.092 -5.131 1.00 33.02 H new ATOM 0 HG22 THR A 35 7.686 -10.590 -3.477 1.00 33.02 H new ATOM 0 HG23 THR A 35 6.027 -11.114 -3.851 1.00 33.02 H new ATOM 561 N SER A 36 8.086 -7.486 -2.392 1.00 42.21 N ATOM 562 CA SER A 36 9.243 -7.414 -1.481 1.00 33.21 C ATOM 563 C SER A 36 9.830 -5.991 -1.454 1.00 31.21 C ATOM 564 O SER A 36 9.271 -5.070 -2.069 1.00 25.12 O ATOM 565 CB SER A 36 10.312 -8.465 -1.899 1.00 65.44 C ATOM 566 OG SER A 36 9.790 -9.789 -1.861 1.00 35.35 O ATOM 0 H SER A 36 8.141 -6.834 -3.175 1.00 42.21 H new ATOM 0 HA SER A 36 8.913 -7.647 -0.469 1.00 33.21 H new ATOM 0 HB2 SER A 36 10.668 -8.242 -2.905 1.00 65.44 H new ATOM 0 HB3 SER A 36 11.173 -8.394 -1.234 1.00 65.44 H new ATOM 0 HG SER A 36 10.487 -10.423 -2.131 1.00 35.35 H new ATOM 572 N SER A 37 10.971 -5.842 -0.735 1.00 12.00 N ATOM 573 CA SER A 37 11.637 -4.552 -0.460 1.00 72.21 C ATOM 574 C SER A 37 12.087 -3.798 -1.735 1.00 54.34 C ATOM 575 O SER A 37 12.244 -2.576 -1.696 1.00 21.01 O ATOM 576 CB SER A 37 12.845 -4.793 0.467 1.00 20.33 C ATOM 577 OG SER A 37 12.465 -5.492 1.640 1.00 74.52 O ATOM 0 H SER A 37 11.461 -6.636 -0.323 1.00 12.00 H new ATOM 0 HA SER A 37 10.900 -3.911 0.023 1.00 72.21 H new ATOM 0 HB2 SER A 37 13.607 -5.361 -0.066 1.00 20.33 H new ATOM 0 HB3 SER A 37 13.293 -3.837 0.740 1.00 20.33 H new ATOM 0 HG SER A 37 11.992 -6.314 1.392 1.00 74.52 H new ATOM 583 N GLN A 38 12.311 -4.548 -2.832 1.00 54.54 N ATOM 584 CA GLN A 38 12.633 -3.988 -4.160 1.00 25.31 C ATOM 585 C GLN A 38 11.517 -3.031 -4.613 1.00 41.40 C ATOM 586 O GLN A 38 11.776 -1.863 -4.950 1.00 12.41 O ATOM 587 CB GLN A 38 12.825 -5.158 -5.173 1.00 63.23 C ATOM 588 CG GLN A 38 12.964 -4.764 -6.665 1.00 51.51 C ATOM 589 CD GLN A 38 14.195 -3.914 -6.987 1.00 74.34 C ATOM 590 OE1 GLN A 38 14.149 -2.687 -6.941 1.00 60.21 O ATOM 591 NE2 GLN A 38 15.307 -4.555 -7.311 1.00 4.44 N ATOM 0 H GLN A 38 12.273 -5.567 -2.821 1.00 54.54 H new ATOM 0 HA GLN A 38 13.559 -3.415 -4.109 1.00 25.31 H new ATOM 0 HB2 GLN A 38 13.714 -5.718 -4.883 1.00 63.23 H new ATOM 0 HB3 GLN A 38 11.977 -5.836 -5.077 1.00 63.23 H new ATOM 0 HG2 GLN A 38 12.999 -5.673 -7.266 1.00 51.51 H new ATOM 0 HG3 GLN A 38 12.071 -4.216 -6.967 1.00 51.51 H new ATOM 0 HE21 GLN A 38 15.318 -5.574 -7.342 1.00 4.44 H new ATOM 0 HE22 GLN A 38 16.153 -4.029 -7.530 1.00 4.44 H new ATOM 600 N ASP A 39 10.271 -3.541 -4.564 1.00 3.11 N ATOM 601 CA ASP A 39 9.077 -2.773 -4.936 1.00 51.23 C ATOM 602 C ASP A 39 8.869 -1.632 -3.944 1.00 24.13 C ATOM 603 O ASP A 39 8.690 -0.496 -4.352 1.00 62.33 O ATOM 604 CB ASP A 39 7.817 -3.672 -4.957 1.00 51.43 C ATOM 605 CG ASP A 39 7.979 -4.924 -5.822 1.00 55.24 C ATOM 606 OD1 ASP A 39 7.981 -4.807 -7.065 1.00 21.25 O ATOM 607 OD2 ASP A 39 8.092 -6.036 -5.266 1.00 12.31 O ATOM 0 H ASP A 39 10.069 -4.495 -4.266 1.00 3.11 H new ATOM 0 HA ASP A 39 9.231 -2.372 -5.938 1.00 51.23 H new ATOM 0 HB2 ASP A 39 7.577 -3.972 -3.937 1.00 51.43 H new ATOM 0 HB3 ASP A 39 6.971 -3.091 -5.326 1.00 51.43 H new ATOM 612 N ILE A 40 8.938 -1.975 -2.638 1.00 43.10 N ATOM 613 CA ILE A 40 8.802 -1.035 -1.503 1.00 72.34 C ATOM 614 C ILE A 40 9.617 0.270 -1.729 1.00 23.32 C ATOM 615 O ILE A 40 9.077 1.378 -1.623 1.00 60.24 O ATOM 616 CB ILE A 40 9.277 -1.747 -0.172 1.00 62.21 C ATOM 617 CG1 ILE A 40 8.299 -2.900 0.265 1.00 55.31 C ATOM 618 CG2 ILE A 40 9.538 -0.756 0.977 1.00 30.03 C ATOM 619 CD1 ILE A 40 6.888 -2.471 0.639 1.00 4.44 C ATOM 0 H ILE A 40 9.094 -2.937 -2.337 1.00 43.10 H new ATOM 0 HA ILE A 40 7.752 -0.753 -1.421 1.00 72.34 H new ATOM 0 HB ILE A 40 10.237 -2.208 -0.405 1.00 62.21 H new ATOM 0 HG12 ILE A 40 8.234 -3.623 -0.549 1.00 55.31 H new ATOM 0 HG13 ILE A 40 8.738 -3.418 1.117 1.00 55.31 H new ATOM 0 HG21 ILE A 40 9.861 -1.303 1.863 1.00 30.03 H new ATOM 0 HG22 ILE A 40 10.316 -0.053 0.681 1.00 30.03 H new ATOM 0 HG23 ILE A 40 8.622 -0.210 1.202 1.00 30.03 H new ATOM 0 HD11 ILE A 40 6.305 -3.347 0.923 1.00 4.44 H new ATOM 0 HD12 ILE A 40 6.929 -1.775 1.477 1.00 4.44 H new ATOM 0 HD13 ILE A 40 6.418 -1.983 -0.215 1.00 4.44 H new ATOM 631 N ARG A 41 10.906 0.104 -2.073 1.00 61.53 N ATOM 632 CA ARG A 41 11.838 1.224 -2.297 1.00 32.52 C ATOM 633 C ARG A 41 11.526 1.960 -3.617 1.00 5.02 C ATOM 634 O ARG A 41 11.651 3.185 -3.685 1.00 34.33 O ATOM 635 CB ARG A 41 13.304 0.712 -2.263 1.00 64.12 C ATOM 636 CG ARG A 41 13.789 0.304 -0.852 1.00 63.15 C ATOM 637 CD ARG A 41 15.193 -0.331 -0.854 1.00 50.41 C ATOM 638 NE ARG A 41 15.790 -0.359 0.499 1.00 52.44 N ATOM 639 CZ ARG A 41 15.732 -1.369 1.380 1.00 10.24 C ATOM 640 NH1 ARG A 41 15.098 -2.497 1.094 1.00 21.05 N ATOM 641 NH2 ARG A 41 16.324 -1.229 2.560 1.00 15.12 N ATOM 0 H ARG A 41 11.332 -0.813 -2.204 1.00 61.53 H new ATOM 0 HA ARG A 41 11.709 1.947 -1.492 1.00 32.52 H new ATOM 0 HB2 ARG A 41 13.396 -0.145 -2.931 1.00 64.12 H new ATOM 0 HB3 ARG A 41 13.960 1.491 -2.652 1.00 64.12 H new ATOM 0 HG2 ARG A 41 13.796 1.184 -0.209 1.00 63.15 H new ATOM 0 HG3 ARG A 41 13.079 -0.401 -0.420 1.00 63.15 H new ATOM 0 HD2 ARG A 41 15.131 -1.347 -1.244 1.00 50.41 H new ATOM 0 HD3 ARG A 41 15.843 0.229 -1.526 1.00 50.41 H new ATOM 0 HE ARG A 41 16.298 0.475 0.792 1.00 52.44 H new ATOM 0 HH11 ARG A 41 14.642 -2.610 0.189 1.00 21.05 H new ATOM 0 HH12 ARG A 41 15.066 -3.252 1.779 1.00 21.05 H new ATOM 0 HH21 ARG A 41 16.814 -0.363 2.785 1.00 15.12 H new ATOM 0 HH22 ARG A 41 16.289 -1.987 3.241 1.00 15.12 H new ATOM 655 N ASP A 42 11.105 1.204 -4.653 1.00 42.42 N ATOM 656 CA ASP A 42 10.677 1.776 -5.956 1.00 10.22 C ATOM 657 C ASP A 42 9.425 2.687 -5.779 1.00 63.43 C ATOM 658 O ASP A 42 9.261 3.686 -6.493 1.00 2.25 O ATOM 659 CB ASP A 42 10.396 0.629 -6.971 1.00 3.54 C ATOM 660 CG ASP A 42 10.036 1.131 -8.388 1.00 24.15 C ATOM 661 OD1 ASP A 42 10.945 1.337 -9.211 1.00 74.45 O ATOM 662 OD2 ASP A 42 8.848 1.334 -8.681 1.00 30.04 O ATOM 0 H ASP A 42 11.051 0.186 -4.615 1.00 42.42 H new ATOM 0 HA ASP A 42 11.482 2.397 -6.348 1.00 10.22 H new ATOM 0 HB2 ASP A 42 11.275 -0.012 -7.034 1.00 3.54 H new ATOM 0 HB3 ASP A 42 9.579 0.014 -6.594 1.00 3.54 H new ATOM 667 N ILE A 43 8.578 2.330 -4.792 1.00 53.32 N ATOM 668 CA ILE A 43 7.330 3.046 -4.459 1.00 65.04 C ATOM 669 C ILE A 43 7.631 4.380 -3.744 1.00 13.35 C ATOM 670 O ILE A 43 7.123 5.430 -4.138 1.00 74.40 O ATOM 671 CB ILE A 43 6.415 2.142 -3.545 1.00 51.52 C ATOM 672 CG1 ILE A 43 5.956 0.860 -4.314 1.00 64.04 C ATOM 673 CG2 ILE A 43 5.202 2.925 -2.996 1.00 64.34 C ATOM 674 CD1 ILE A 43 5.322 -0.215 -3.445 1.00 40.15 C ATOM 0 H ILE A 43 8.746 1.521 -4.193 1.00 53.32 H new ATOM 0 HA ILE A 43 6.806 3.266 -5.389 1.00 65.04 H new ATOM 0 HB ILE A 43 7.012 1.831 -2.688 1.00 51.52 H new ATOM 0 HG12 ILE A 43 5.242 1.152 -5.084 1.00 64.04 H new ATOM 0 HG13 ILE A 43 6.819 0.432 -4.825 1.00 64.04 H new ATOM 0 HG21 ILE A 43 4.597 2.268 -2.372 1.00 64.34 H new ATOM 0 HG22 ILE A 43 5.552 3.769 -2.402 1.00 64.34 H new ATOM 0 HG23 ILE A 43 4.600 3.292 -3.827 1.00 64.34 H new ATOM 0 HD11 ILE A 43 5.037 -1.064 -4.066 1.00 40.15 H new ATOM 0 HD12 ILE A 43 6.038 -0.542 -2.691 1.00 40.15 H new ATOM 0 HD13 ILE A 43 4.437 0.189 -2.954 1.00 40.15 H new ATOM 686 N ILE A 44 8.463 4.314 -2.693 1.00 24.02 N ATOM 687 CA ILE A 44 8.864 5.492 -1.895 1.00 52.03 C ATOM 688 C ILE A 44 9.674 6.484 -2.784 1.00 60.03 C ATOM 689 O ILE A 44 9.572 7.712 -2.635 1.00 22.44 O ATOM 690 CB ILE A 44 9.665 5.019 -0.614 1.00 53.22 C ATOM 691 CG1 ILE A 44 8.769 4.061 0.257 1.00 21.05 C ATOM 692 CG2 ILE A 44 10.184 6.214 0.227 1.00 52.33 C ATOM 693 CD1 ILE A 44 9.477 3.396 1.430 1.00 70.52 C ATOM 0 H ILE A 44 8.880 3.441 -2.369 1.00 24.02 H new ATOM 0 HA ILE A 44 7.983 6.029 -1.543 1.00 52.03 H new ATOM 0 HB ILE A 44 10.544 4.472 -0.954 1.00 53.22 H new ATOM 0 HG12 ILE A 44 7.923 4.631 0.640 1.00 21.05 H new ATOM 0 HG13 ILE A 44 8.363 3.283 -0.389 1.00 21.05 H new ATOM 0 HG21 ILE A 44 10.727 5.840 1.095 1.00 52.33 H new ATOM 0 HG22 ILE A 44 10.850 6.825 -0.382 1.00 52.33 H new ATOM 0 HG23 ILE A 44 9.340 6.818 0.560 1.00 52.33 H new ATOM 0 HD11 ILE A 44 8.774 2.758 1.965 1.00 70.52 H new ATOM 0 HD12 ILE A 44 10.306 2.792 1.060 1.00 70.52 H new ATOM 0 HD13 ILE A 44 9.859 4.161 2.106 1.00 70.52 H new ATOM 705 N LYS A 45 10.416 5.921 -3.761 1.00 1.32 N ATOM 706 CA LYS A 45 11.122 6.685 -4.810 1.00 53.54 C ATOM 707 C LYS A 45 10.114 7.355 -5.777 1.00 52.15 C ATOM 708 O LYS A 45 10.333 8.490 -6.215 1.00 53.15 O ATOM 709 CB LYS A 45 12.129 5.741 -5.543 1.00 61.44 C ATOM 710 CG LYS A 45 12.867 6.328 -6.789 1.00 13.03 C ATOM 711 CD LYS A 45 12.148 6.028 -8.137 1.00 45.32 C ATOM 712 CE LYS A 45 12.081 4.519 -8.451 1.00 40.10 C ATOM 713 NZ LYS A 45 11.322 4.231 -9.697 1.00 52.52 N ATOM 0 H LYS A 45 10.543 4.912 -3.844 1.00 1.32 H new ATOM 0 HA LYS A 45 11.693 7.497 -4.358 1.00 53.54 H new ATOM 0 HB2 LYS A 45 12.881 5.422 -4.822 1.00 61.44 H new ATOM 0 HB3 LYS A 45 11.590 4.848 -5.858 1.00 61.44 H new ATOM 0 HG2 LYS A 45 12.962 7.407 -6.670 1.00 13.03 H new ATOM 0 HG3 LYS A 45 13.878 5.921 -6.827 1.00 13.03 H new ATOM 0 HD2 LYS A 45 11.137 6.433 -8.103 1.00 45.32 H new ATOM 0 HD3 LYS A 45 12.670 6.541 -8.945 1.00 45.32 H new ATOM 0 HE2 LYS A 45 13.093 4.126 -8.546 1.00 40.10 H new ATOM 0 HE3 LYS A 45 11.614 3.997 -7.616 1.00 40.10 H new ATOM 0 HZ1 LYS A 45 11.086 3.219 -9.734 1.00 52.52 H new ATOM 0 HZ2 LYS A 45 10.446 4.791 -9.707 1.00 52.52 H new ATOM 0 HZ3 LYS A 45 11.903 4.481 -10.523 1.00 52.52 H new ATOM 727 N SER A 46 9.008 6.649 -6.091 1.00 64.22 N ATOM 728 CA SER A 46 7.904 7.197 -6.919 1.00 70.12 C ATOM 729 C SER A 46 7.240 8.423 -6.231 1.00 54.44 C ATOM 730 O SER A 46 6.694 9.316 -6.899 1.00 44.03 O ATOM 731 CB SER A 46 6.860 6.089 -7.194 1.00 71.50 C ATOM 732 OG SER A 46 5.856 6.515 -8.096 1.00 4.12 O ATOM 0 H SER A 46 8.852 5.690 -5.782 1.00 64.22 H new ATOM 0 HA SER A 46 8.317 7.539 -7.868 1.00 70.12 H new ATOM 0 HB2 SER A 46 7.362 5.211 -7.600 1.00 71.50 H new ATOM 0 HB3 SER A 46 6.398 5.786 -6.255 1.00 71.50 H new ATOM 0 HG SER A 46 5.218 5.786 -8.244 1.00 4.12 H new ATOM 738 N MET A 47 7.307 8.445 -4.884 1.00 35.43 N ATOM 739 CA MET A 47 6.814 9.561 -4.059 1.00 1.20 C ATOM 740 C MET A 47 7.823 10.726 -4.074 1.00 53.41 C ATOM 741 O MET A 47 7.437 11.889 -3.960 1.00 63.44 O ATOM 742 CB MET A 47 6.568 9.079 -2.606 1.00 72.40 C ATOM 743 CG MET A 47 5.679 7.835 -2.515 1.00 60.05 C ATOM 744 SD MET A 47 5.420 7.270 -0.828 1.00 15.43 S ATOM 745 CE MET A 47 4.426 8.604 -0.187 1.00 61.31 C ATOM 0 H MET A 47 7.708 7.683 -4.337 1.00 35.43 H new ATOM 0 HA MET A 47 5.871 9.916 -4.476 1.00 1.20 H new ATOM 0 HB2 MET A 47 7.528 8.865 -2.136 1.00 72.40 H new ATOM 0 HB3 MET A 47 6.108 9.887 -2.037 1.00 72.40 H new ATOM 0 HG2 MET A 47 4.713 8.053 -2.970 1.00 60.05 H new ATOM 0 HG3 MET A 47 6.131 7.030 -3.095 1.00 60.05 H new ATOM 0 HE1 MET A 47 4.003 8.313 0.774 1.00 61.31 H new ATOM 0 HE2 MET A 47 5.047 9.490 -0.057 1.00 61.31 H new ATOM 0 HE3 MET A 47 3.620 8.825 -0.886 1.00 61.31 H new ATOM 755 N LYS A 48 9.126 10.393 -4.166 1.00 15.45 N ATOM 756 CA LYS A 48 10.202 11.403 -4.328 1.00 32.24 C ATOM 757 C LYS A 48 10.117 12.182 -5.661 1.00 21.34 C ATOM 758 O LYS A 48 10.433 13.379 -5.690 1.00 14.31 O ATOM 759 CB LYS A 48 11.607 10.760 -4.201 1.00 23.13 C ATOM 760 CG LYS A 48 11.859 10.029 -2.876 1.00 71.44 C ATOM 761 CD LYS A 48 11.568 10.913 -1.643 1.00 64.21 C ATOM 762 CE LYS A 48 12.035 10.249 -0.353 1.00 32.33 C ATOM 763 NZ LYS A 48 13.504 10.036 -0.362 1.00 65.22 N ATOM 0 H LYS A 48 9.464 9.431 -4.131 1.00 15.45 H new ATOM 0 HA LYS A 48 10.049 12.116 -3.518 1.00 32.24 H new ATOM 0 HB2 LYS A 48 11.745 10.055 -5.021 1.00 23.13 H new ATOM 0 HB3 LYS A 48 12.360 11.539 -4.320 1.00 23.13 H new ATOM 0 HG2 LYS A 48 11.235 9.137 -2.834 1.00 71.44 H new ATOM 0 HG3 LYS A 48 12.896 9.695 -2.842 1.00 71.44 H new ATOM 0 HD2 LYS A 48 12.067 11.875 -1.759 1.00 64.21 H new ATOM 0 HD3 LYS A 48 10.498 11.114 -1.583 1.00 64.21 H new ATOM 0 HE2 LYS A 48 11.760 10.870 0.499 1.00 32.33 H new ATOM 0 HE3 LYS A 48 11.527 9.293 -0.228 1.00 32.33 H new ATOM 0 HZ1 LYS A 48 13.879 10.162 0.600 1.00 65.22 H new ATOM 0 HZ2 LYS A 48 13.713 9.072 -0.692 1.00 65.22 H new ATOM 0 HZ3 LYS A 48 13.951 10.725 -1.000 1.00 65.22 H new ATOM 777 N ASP A 49 9.719 11.491 -6.758 1.00 41.34 N ATOM 778 CA ASP A 49 9.673 12.087 -8.119 1.00 30.40 C ATOM 779 C ASP A 49 8.738 13.317 -8.171 1.00 64.33 C ATOM 780 O ASP A 49 9.070 14.336 -8.785 1.00 74.33 O ATOM 781 CB ASP A 49 9.249 11.030 -9.176 1.00 75.03 C ATOM 782 CG ASP A 49 10.244 9.861 -9.309 1.00 72.13 C ATOM 783 OD1 ASP A 49 11.449 10.109 -9.529 1.00 64.12 O ATOM 784 OD2 ASP A 49 9.825 8.692 -9.242 1.00 45.25 O ATOM 0 H ASP A 49 9.424 10.515 -6.727 1.00 41.34 H new ATOM 0 HA ASP A 49 10.681 12.427 -8.359 1.00 30.40 H new ATOM 0 HB2 ASP A 49 8.269 10.634 -8.910 1.00 75.03 H new ATOM 0 HB3 ASP A 49 9.143 11.519 -10.145 1.00 75.03 H new ATOM 789 N ASN A 50 7.579 13.204 -7.504 1.00 24.00 N ATOM 790 CA ASN A 50 6.658 14.337 -7.274 1.00 21.03 C ATOM 791 C ASN A 50 5.963 14.142 -5.925 1.00 1.24 C ATOM 792 O ASN A 50 6.126 14.950 -5.006 1.00 24.30 O ATOM 793 CB ASN A 50 5.611 14.480 -8.416 1.00 51.34 C ATOM 794 CG ASN A 50 4.653 15.667 -8.206 1.00 71.52 C ATOM 795 OD1 ASN A 50 3.578 15.527 -7.619 1.00 20.34 O ATOM 796 ND2 ASN A 50 5.041 16.845 -8.670 1.00 12.03 N ATOM 0 H ASN A 50 7.250 12.324 -7.107 1.00 24.00 H new ATOM 0 HA ASN A 50 7.238 15.260 -7.265 1.00 21.03 H new ATOM 0 HB2 ASN A 50 6.131 14.603 -9.366 1.00 51.34 H new ATOM 0 HB3 ASN A 50 5.031 13.560 -8.488 1.00 51.34 H new ATOM 0 HD21 ASN A 50 4.445 17.664 -8.545 1.00 12.03 H new ATOM 0 HD22 ASN A 50 5.935 16.934 -9.152 1.00 12.03 H new ATOM 803 N GLY A 51 5.208 13.037 -5.822 1.00 20.40 N ATOM 804 CA GLY A 51 4.473 12.688 -4.604 1.00 42.24 C ATOM 805 C GLY A 51 2.977 12.662 -4.824 1.00 70.31 C ATOM 806 O GLY A 51 2.346 13.714 -4.934 1.00 62.22 O ATOM 0 H GLY A 51 5.092 12.365 -6.580 1.00 20.40 H new ATOM 0 HA2 GLY A 51 4.803 11.711 -4.250 1.00 42.24 H new ATOM 0 HA3 GLY A 51 4.710 13.407 -3.820 1.00 42.24 H new ATOM 810 N LYS A 52 2.415 11.449 -4.885 1.00 24.20 N ATOM 811 CA LYS A 52 0.974 11.218 -5.104 1.00 3.32 C ATOM 812 C LYS A 52 0.395 10.347 -3.958 1.00 34.53 C ATOM 813 O LYS A 52 1.167 9.675 -3.244 1.00 44.12 O ATOM 814 CB LYS A 52 0.728 10.534 -6.491 1.00 61.35 C ATOM 815 CG LYS A 52 1.245 9.077 -6.624 1.00 41.04 C ATOM 816 CD LYS A 52 2.759 8.953 -6.946 1.00 63.23 C ATOM 817 CE LYS A 52 3.097 9.340 -8.399 1.00 0.03 C ATOM 818 NZ LYS A 52 4.497 8.989 -8.750 1.00 64.02 N ATOM 0 H LYS A 52 2.951 10.587 -4.783 1.00 24.20 H new ATOM 0 HA LYS A 52 0.463 12.181 -5.105 1.00 3.32 H new ATOM 0 HB2 LYS A 52 -0.343 10.540 -6.693 1.00 61.35 H new ATOM 0 HB3 LYS A 52 1.202 11.140 -7.263 1.00 61.35 H new ATOM 0 HG2 LYS A 52 1.041 8.547 -5.694 1.00 41.04 H new ATOM 0 HG3 LYS A 52 0.678 8.575 -7.408 1.00 41.04 H new ATOM 0 HD2 LYS A 52 3.323 9.590 -6.265 1.00 63.23 H new ATOM 0 HD3 LYS A 52 3.081 7.928 -6.764 1.00 63.23 H new ATOM 0 HE2 LYS A 52 2.413 8.832 -9.079 1.00 0.03 H new ATOM 0 HE3 LYS A 52 2.945 10.411 -8.535 1.00 0.03 H new ATOM 0 HZ1 LYS A 52 4.662 9.186 -9.758 1.00 64.02 H new ATOM 0 HZ2 LYS A 52 5.152 9.556 -8.175 1.00 64.02 H new ATOM 0 HZ3 LYS A 52 4.659 7.979 -8.564 1.00 64.02 H new ATOM 832 N PRO A 53 -0.965 10.376 -3.728 1.00 31.20 N ATOM 833 CA PRO A 53 -1.649 9.390 -2.863 1.00 54.11 C ATOM 834 C PRO A 53 -1.516 7.954 -3.424 1.00 3.32 C ATOM 835 O PRO A 53 -2.248 7.568 -4.345 1.00 21.03 O ATOM 836 CB PRO A 53 -3.137 9.862 -2.856 1.00 11.34 C ATOM 837 CG PRO A 53 -3.087 11.305 -3.276 1.00 63.55 C ATOM 838 CD PRO A 53 -1.925 11.398 -4.242 1.00 64.02 C ATOM 0 HA PRO A 53 -1.219 9.347 -1.862 1.00 54.11 H new ATOM 0 HB2 PRO A 53 -3.742 9.271 -3.544 1.00 11.34 H new ATOM 0 HB3 PRO A 53 -3.581 9.754 -1.867 1.00 11.34 H new ATOM 0 HG2 PRO A 53 -4.019 11.609 -3.751 1.00 63.55 H new ATOM 0 HG3 PRO A 53 -2.939 11.960 -2.417 1.00 63.55 H new ATOM 0 HD2 PRO A 53 -2.234 11.181 -5.264 1.00 64.02 H new ATOM 0 HD3 PRO A 53 -1.486 12.395 -4.247 1.00 64.02 H new ATOM 846 N LEU A 54 -0.542 7.197 -2.906 1.00 53.41 N ATOM 847 CA LEU A 54 -0.325 5.787 -3.299 1.00 21.13 C ATOM 848 C LEU A 54 -1.026 4.853 -2.309 1.00 43.34 C ATOM 849 O LEU A 54 -1.125 5.162 -1.125 1.00 51.31 O ATOM 850 CB LEU A 54 1.197 5.462 -3.371 1.00 44.14 C ATOM 851 CG LEU A 54 1.957 6.014 -4.618 1.00 34.23 C ATOM 852 CD1 LEU A 54 3.473 5.761 -4.528 1.00 45.32 C ATOM 853 CD2 LEU A 54 1.386 5.415 -5.917 1.00 3.35 C ATOM 0 H LEU A 54 0.118 7.536 -2.206 1.00 53.41 H new ATOM 0 HA LEU A 54 -0.751 5.633 -4.290 1.00 21.13 H new ATOM 0 HB2 LEU A 54 1.675 5.857 -2.475 1.00 44.14 H new ATOM 0 HB3 LEU A 54 1.319 4.379 -3.346 1.00 44.14 H new ATOM 0 HG LEU A 54 1.806 7.093 -4.634 1.00 34.23 H new ATOM 0 HD11 LEU A 54 3.962 6.161 -5.416 1.00 45.32 H new ATOM 0 HD12 LEU A 54 3.872 6.253 -3.641 1.00 45.32 H new ATOM 0 HD13 LEU A 54 3.660 4.689 -4.463 1.00 45.32 H new ATOM 0 HD21 LEU A 54 1.931 5.814 -6.772 1.00 3.35 H new ATOM 0 HD22 LEU A 54 1.491 4.330 -5.894 1.00 3.35 H new ATOM 0 HD23 LEU A 54 0.331 5.676 -6.005 1.00 3.35 H new ATOM 865 N VAL A 55 -1.531 3.721 -2.813 1.00 2.13 N ATOM 866 CA VAL A 55 -2.099 2.645 -1.979 1.00 3.24 C ATOM 867 C VAL A 55 -1.317 1.360 -2.292 1.00 52.12 C ATOM 868 O VAL A 55 -1.525 0.754 -3.345 1.00 62.34 O ATOM 869 CB VAL A 55 -3.644 2.440 -2.256 1.00 14.54 C ATOM 870 CG1 VAL A 55 -4.244 1.343 -1.340 1.00 33.33 C ATOM 871 CG2 VAL A 55 -4.425 3.771 -2.108 1.00 61.42 C ATOM 0 H VAL A 55 -1.559 3.521 -3.813 1.00 2.13 H new ATOM 0 HA VAL A 55 -2.007 2.909 -0.925 1.00 3.24 H new ATOM 0 HB VAL A 55 -3.746 2.104 -3.288 1.00 14.54 H new ATOM 0 HG11 VAL A 55 -5.306 1.229 -1.557 1.00 33.33 H new ATOM 0 HG12 VAL A 55 -3.733 0.398 -1.521 1.00 33.33 H new ATOM 0 HG13 VAL A 55 -4.116 1.630 -0.296 1.00 33.33 H new ATOM 0 HG21 VAL A 55 -5.483 3.596 -2.305 1.00 61.42 H new ATOM 0 HG22 VAL A 55 -4.303 4.154 -1.095 1.00 61.42 H new ATOM 0 HG23 VAL A 55 -4.039 4.500 -2.820 1.00 61.42 H new ATOM 881 N VAL A 56 -0.382 0.970 -1.396 1.00 62.22 N ATOM 882 CA VAL A 56 0.452 -0.236 -1.585 1.00 31.14 C ATOM 883 C VAL A 56 -0.253 -1.487 -1.045 1.00 43.22 C ATOM 884 O VAL A 56 -0.345 -1.683 0.165 1.00 31.22 O ATOM 885 CB VAL A 56 1.846 -0.100 -0.864 1.00 71.10 C ATOM 886 CG1 VAL A 56 2.713 -1.377 -1.034 1.00 73.30 C ATOM 887 CG2 VAL A 56 2.598 1.129 -1.371 1.00 45.04 C ATOM 0 H VAL A 56 -0.187 1.476 -0.532 1.00 62.22 H new ATOM 0 HA VAL A 56 0.611 -0.335 -2.659 1.00 31.14 H new ATOM 0 HB VAL A 56 1.650 0.023 0.201 1.00 71.10 H new ATOM 0 HG11 VAL A 56 3.665 -1.241 -0.522 1.00 73.30 H new ATOM 0 HG12 VAL A 56 2.190 -2.232 -0.606 1.00 73.30 H new ATOM 0 HG13 VAL A 56 2.893 -1.556 -2.094 1.00 73.30 H new ATOM 0 HG21 VAL A 56 3.558 1.204 -0.860 1.00 45.04 H new ATOM 0 HG22 VAL A 56 2.764 1.037 -2.444 1.00 45.04 H new ATOM 0 HG23 VAL A 56 2.009 2.024 -1.171 1.00 45.04 H new ATOM 897 N PHE A 57 -0.765 -2.306 -1.963 1.00 2.43 N ATOM 898 CA PHE A 57 -1.214 -3.662 -1.650 1.00 33.42 C ATOM 899 C PHE A 57 0.013 -4.592 -1.629 1.00 41.24 C ATOM 900 O PHE A 57 0.564 -4.905 -2.681 1.00 41.13 O ATOM 901 CB PHE A 57 -2.219 -4.136 -2.736 1.00 65.21 C ATOM 902 CG PHE A 57 -3.552 -3.396 -2.746 1.00 4.54 C ATOM 903 CD1 PHE A 57 -3.736 -2.245 -3.517 1.00 23.21 C ATOM 904 CD2 PHE A 57 -4.631 -3.861 -1.994 1.00 51.21 C ATOM 905 CE1 PHE A 57 -4.952 -1.587 -3.525 1.00 61.44 C ATOM 906 CE2 PHE A 57 -5.842 -3.199 -2.003 1.00 22.41 C ATOM 907 CZ PHE A 57 -6.002 -2.065 -2.772 1.00 75.41 C ATOM 0 H PHE A 57 -0.880 -2.049 -2.943 1.00 2.43 H new ATOM 0 HA PHE A 57 -1.708 -3.682 -0.678 1.00 33.42 H new ATOM 0 HB2 PHE A 57 -1.752 -4.026 -3.715 1.00 65.21 H new ATOM 0 HB3 PHE A 57 -2.412 -5.199 -2.592 1.00 65.21 H new ATOM 0 HD1 PHE A 57 -2.919 -1.865 -4.113 1.00 23.21 H new ATOM 0 HD2 PHE A 57 -4.517 -4.753 -1.396 1.00 51.21 H new ATOM 0 HE1 PHE A 57 -5.079 -0.697 -4.123 1.00 61.44 H new ATOM 0 HE2 PHE A 57 -6.664 -3.569 -1.408 1.00 22.41 H new ATOM 0 HZ PHE A 57 -6.952 -1.551 -2.784 1.00 75.41 H new ATOM 917 N VAL A 58 0.463 -5.028 -0.443 1.00 11.13 N ATOM 918 CA VAL A 58 1.561 -6.004 -0.355 1.00 43.41 C ATOM 919 C VAL A 58 0.975 -7.426 -0.465 1.00 23.01 C ATOM 920 O VAL A 58 0.189 -7.845 0.385 1.00 31.53 O ATOM 921 CB VAL A 58 2.465 -5.828 0.933 1.00 71.24 C ATOM 922 CG1 VAL A 58 3.137 -4.440 0.959 1.00 34.14 C ATOM 923 CG2 VAL A 58 1.707 -6.074 2.246 1.00 71.14 C ATOM 0 H VAL A 58 0.090 -4.726 0.457 1.00 11.13 H new ATOM 0 HA VAL A 58 2.239 -5.823 -1.189 1.00 43.41 H new ATOM 0 HB VAL A 58 3.234 -6.597 0.862 1.00 71.24 H new ATOM 0 HG11 VAL A 58 3.751 -4.350 1.855 1.00 34.14 H new ATOM 0 HG12 VAL A 58 3.765 -4.323 0.076 1.00 34.14 H new ATOM 0 HG13 VAL A 58 2.371 -3.665 0.964 1.00 34.14 H new ATOM 0 HG21 VAL A 58 2.385 -5.937 3.089 1.00 71.14 H new ATOM 0 HG22 VAL A 58 0.880 -5.368 2.327 1.00 71.14 H new ATOM 0 HG23 VAL A 58 1.317 -7.092 2.256 1.00 71.14 H new ATOM 933 N ASN A 59 1.302 -8.126 -1.573 1.00 73.42 N ATOM 934 CA ASN A 59 0.855 -9.514 -1.823 1.00 20.15 C ATOM 935 C ASN A 59 1.565 -10.479 -0.863 1.00 61.43 C ATOM 936 O ASN A 59 2.532 -11.148 -1.247 1.00 53.23 O ATOM 937 CB ASN A 59 1.093 -9.953 -3.308 1.00 12.12 C ATOM 938 CG ASN A 59 0.132 -9.336 -4.328 1.00 74.55 C ATOM 939 OD1 ASN A 59 -1.010 -9.021 -4.023 1.00 51.02 O ATOM 940 ND2 ASN A 59 0.577 -9.206 -5.567 1.00 54.13 N ATOM 0 H ASN A 59 1.883 -7.745 -2.319 1.00 73.42 H new ATOM 0 HA ASN A 59 -0.219 -9.548 -1.643 1.00 20.15 H new ATOM 0 HB2 ASN A 59 2.113 -9.692 -3.589 1.00 12.12 H new ATOM 0 HB3 ASN A 59 1.014 -11.038 -3.367 1.00 12.12 H new ATOM 0 HD21 ASN A 59 -0.036 -8.836 -6.293 1.00 54.13 H new ATOM 0 HD22 ASN A 59 1.534 -9.476 -5.796 1.00 54.13 H new ATOM 947 N GLY A 60 1.086 -10.510 0.398 1.00 73.21 N ATOM 948 CA GLY A 60 1.645 -11.364 1.441 1.00 1.41 C ATOM 949 C GLY A 60 3.143 -11.172 1.653 1.00 13.34 C ATOM 950 O GLY A 60 3.879 -12.153 1.797 1.00 73.24 O ATOM 0 H GLY A 60 0.301 -9.940 0.711 1.00 73.21 H new ATOM 0 HA2 GLY A 60 1.126 -11.165 2.378 1.00 1.41 H new ATOM 0 HA3 GLY A 60 1.454 -12.406 1.186 1.00 1.41 H new ATOM 954 N ALA A 61 3.597 -9.901 1.637 1.00 35.05 N ATOM 955 CA ALA A 61 5.017 -9.563 1.859 1.00 65.14 C ATOM 956 C ALA A 61 5.416 -9.879 3.307 1.00 12.45 C ATOM 957 O ALA A 61 4.606 -9.705 4.231 1.00 1.40 O ATOM 958 CB ALA A 61 5.288 -8.085 1.529 1.00 23.10 C ATOM 0 H ALA A 61 2.999 -9.091 1.472 1.00 35.05 H new ATOM 0 HA ALA A 61 5.625 -10.171 1.190 1.00 65.14 H new ATOM 0 HB1 ALA A 61 6.341 -7.861 1.701 1.00 23.10 H new ATOM 0 HB2 ALA A 61 5.042 -7.894 0.484 1.00 23.10 H new ATOM 0 HB3 ALA A 61 4.673 -7.451 2.168 1.00 23.10 H new ATOM 964 N SER A 62 6.669 -10.331 3.490 1.00 61.30 N ATOM 965 CA SER A 62 7.212 -10.704 4.803 1.00 4.30 C ATOM 966 C SER A 62 7.255 -9.479 5.733 1.00 53.14 C ATOM 967 O SER A 62 7.317 -8.334 5.253 1.00 23.21 O ATOM 968 CB SER A 62 8.631 -11.288 4.626 1.00 64.41 C ATOM 969 OG SER A 62 8.642 -12.348 3.686 1.00 63.34 O ATOM 0 H SER A 62 7.335 -10.447 2.726 1.00 61.30 H new ATOM 0 HA SER A 62 6.566 -11.456 5.255 1.00 4.30 H new ATOM 0 HB2 SER A 62 9.311 -10.502 4.298 1.00 64.41 H new ATOM 0 HB3 SER A 62 9.000 -11.648 5.586 1.00 64.41 H new ATOM 0 HG SER A 62 9.554 -12.695 3.595 1.00 63.34 H new ATOM 975 N GLN A 63 7.235 -9.728 7.061 1.00 1.14 N ATOM 976 CA GLN A 63 7.331 -8.662 8.077 1.00 54.43 C ATOM 977 C GLN A 63 8.655 -7.886 7.925 1.00 61.32 C ATOM 978 O GLN A 63 8.728 -6.715 8.278 1.00 44.15 O ATOM 979 CB GLN A 63 7.165 -9.233 9.520 1.00 62.44 C ATOM 980 CG GLN A 63 7.172 -8.167 10.649 1.00 12.41 C ATOM 981 CD GLN A 63 6.124 -7.055 10.464 1.00 45.03 C ATOM 982 OE1 GLN A 63 5.035 -7.269 9.927 1.00 43.44 O ATOM 983 NE2 GLN A 63 6.458 -5.850 10.889 1.00 3.03 N ATOM 0 H GLN A 63 7.153 -10.666 7.454 1.00 1.14 H new ATOM 0 HA GLN A 63 6.511 -7.963 7.913 1.00 54.43 H new ATOM 0 HB2 GLN A 63 6.228 -9.788 9.570 1.00 62.44 H new ATOM 0 HB3 GLN A 63 7.968 -9.946 9.708 1.00 62.44 H new ATOM 0 HG2 GLN A 63 6.997 -8.662 11.604 1.00 12.41 H new ATOM 0 HG3 GLN A 63 8.162 -7.714 10.702 1.00 12.41 H new ATOM 0 HE21 GLN A 63 7.365 -5.698 11.330 1.00 3.03 H new ATOM 0 HE22 GLN A 63 5.809 -5.071 10.776 1.00 3.03 H new ATOM 992 N ASN A 64 9.675 -8.561 7.350 1.00 53.52 N ATOM 993 CA ASN A 64 10.946 -7.941 6.962 1.00 73.04 C ATOM 994 C ASN A 64 10.698 -6.772 5.995 1.00 63.30 C ATOM 995 O ASN A 64 11.158 -5.669 6.249 1.00 54.52 O ATOM 996 CB ASN A 64 11.884 -8.999 6.323 1.00 4.44 C ATOM 997 CG ASN A 64 13.251 -8.432 5.922 1.00 33.41 C ATOM 998 OD1 ASN A 64 14.189 -8.424 6.717 1.00 30.41 O ATOM 999 ND2 ASN A 64 13.375 -7.942 4.694 1.00 23.24 N ATOM 0 H ASN A 64 9.631 -9.559 7.144 1.00 53.52 H new ATOM 0 HA ASN A 64 11.432 -7.546 7.854 1.00 73.04 H new ATOM 0 HB2 ASN A 64 12.030 -9.818 7.027 1.00 4.44 H new ATOM 0 HB3 ASN A 64 11.400 -9.419 5.442 1.00 4.44 H new ATOM 0 HD21 ASN A 64 14.265 -7.546 4.390 1.00 23.24 H new ATOM 0 HD22 ASN A 64 12.581 -7.961 4.055 1.00 23.24 H new ATOM 1006 N ASP A 65 9.916 -7.027 4.920 1.00 43.11 N ATOM 1007 CA ASP A 65 9.597 -6.014 3.882 1.00 43.51 C ATOM 1008 C ASP A 65 8.740 -4.869 4.459 1.00 70.13 C ATOM 1009 O ASP A 65 8.848 -3.720 4.021 1.00 43.01 O ATOM 1010 CB ASP A 65 8.853 -6.655 2.680 1.00 32.10 C ATOM 1011 CG ASP A 65 9.565 -7.883 2.097 1.00 53.04 C ATOM 1012 OD1 ASP A 65 10.699 -7.750 1.593 1.00 11.30 O ATOM 1013 OD2 ASP A 65 9.007 -8.996 2.148 1.00 0.51 O ATOM 0 H ASP A 65 9.489 -7.937 4.747 1.00 43.11 H new ATOM 0 HA ASP A 65 10.547 -5.606 3.536 1.00 43.51 H new ATOM 0 HB2 ASP A 65 7.851 -6.944 2.997 1.00 32.10 H new ATOM 0 HB3 ASP A 65 8.737 -5.907 1.896 1.00 32.10 H new ATOM 1018 N VAL A 66 7.878 -5.212 5.439 1.00 12.23 N ATOM 1019 CA VAL A 66 7.056 -4.240 6.182 1.00 14.10 C ATOM 1020 C VAL A 66 7.960 -3.292 6.992 1.00 63.52 C ATOM 1021 O VAL A 66 7.754 -2.074 7.000 1.00 72.15 O ATOM 1022 CB VAL A 66 6.047 -4.975 7.140 1.00 74.34 C ATOM 1023 CG1 VAL A 66 5.214 -3.974 7.984 1.00 64.31 C ATOM 1024 CG2 VAL A 66 5.131 -5.928 6.330 1.00 2.21 C ATOM 0 H VAL A 66 7.734 -6.177 5.737 1.00 12.23 H new ATOM 0 HA VAL A 66 6.481 -3.657 5.462 1.00 14.10 H new ATOM 0 HB VAL A 66 6.629 -5.570 7.843 1.00 74.34 H new ATOM 0 HG11 VAL A 66 4.531 -4.524 8.631 1.00 64.31 H new ATOM 0 HG12 VAL A 66 5.883 -3.368 8.595 1.00 64.31 H new ATOM 0 HG13 VAL A 66 4.642 -3.326 7.320 1.00 64.31 H new ATOM 0 HG21 VAL A 66 4.439 -6.429 7.006 1.00 2.21 H new ATOM 0 HG22 VAL A 66 4.568 -5.354 5.594 1.00 2.21 H new ATOM 0 HG23 VAL A 66 5.742 -6.672 5.819 1.00 2.21 H new ATOM 1034 N ASN A 67 8.975 -3.880 7.650 1.00 32.24 N ATOM 1035 CA ASN A 67 9.975 -3.135 8.438 1.00 24.22 C ATOM 1036 C ASN A 67 10.795 -2.232 7.516 1.00 62.22 C ATOM 1037 O ASN A 67 11.036 -1.080 7.855 1.00 45.34 O ATOM 1038 CB ASN A 67 10.907 -4.096 9.226 1.00 12.32 C ATOM 1039 CG ASN A 67 10.174 -4.936 10.276 1.00 75.44 C ATOM 1040 OD1 ASN A 67 9.181 -4.509 10.875 1.00 10.12 O ATOM 1041 ND2 ASN A 67 10.666 -6.145 10.500 1.00 24.41 N ATOM 0 H ASN A 67 9.126 -4.889 7.651 1.00 32.24 H new ATOM 0 HA ASN A 67 9.446 -2.519 9.165 1.00 24.22 H new ATOM 0 HB2 ASN A 67 11.406 -4.763 8.523 1.00 12.32 H new ATOM 0 HB3 ASN A 67 11.685 -3.512 9.718 1.00 12.32 H new ATOM 0 HD21 ASN A 67 10.223 -6.757 11.186 1.00 24.41 H new ATOM 0 HD22 ASN A 67 11.488 -6.464 9.987 1.00 24.41 H new ATOM 1048 N GLU A 68 11.175 -2.763 6.328 1.00 13.14 N ATOM 1049 CA GLU A 68 11.915 -1.998 5.309 1.00 62.43 C ATOM 1050 C GLU A 68 11.098 -0.779 4.860 1.00 20.12 C ATOM 1051 O GLU A 68 11.642 0.294 4.735 1.00 21.24 O ATOM 1052 CB GLU A 68 12.268 -2.875 4.079 1.00 34.32 C ATOM 1053 CG GLU A 68 13.126 -4.114 4.392 1.00 43.11 C ATOM 1054 CD GLU A 68 14.467 -3.805 5.071 1.00 64.03 C ATOM 1055 OE1 GLU A 68 15.387 -3.299 4.392 1.00 10.14 O ATOM 1056 OE2 GLU A 68 14.625 -4.075 6.278 1.00 12.23 O ATOM 0 H GLU A 68 10.977 -3.726 6.056 1.00 13.14 H new ATOM 0 HA GLU A 68 12.847 -1.663 5.764 1.00 62.43 H new ATOM 0 HB2 GLU A 68 11.342 -3.202 3.606 1.00 34.32 H new ATOM 0 HB3 GLU A 68 12.797 -2.259 3.352 1.00 34.32 H new ATOM 0 HG2 GLU A 68 12.554 -4.784 5.034 1.00 43.11 H new ATOM 0 HG3 GLU A 68 13.319 -4.651 3.463 1.00 43.11 H new ATOM 1063 N PHE A 69 9.775 -0.970 4.670 1.00 11.15 N ATOM 1064 CA PHE A 69 8.851 0.103 4.249 1.00 51.33 C ATOM 1065 C PHE A 69 8.868 1.252 5.256 1.00 72.43 C ATOM 1066 O PHE A 69 9.061 2.418 4.887 1.00 40.30 O ATOM 1067 CB PHE A 69 7.414 -0.464 4.091 1.00 53.14 C ATOM 1068 CG PHE A 69 6.387 0.539 3.566 1.00 15.22 C ATOM 1069 CD1 PHE A 69 5.643 1.345 4.436 1.00 64.23 C ATOM 1070 CD2 PHE A 69 6.153 0.667 2.196 1.00 34.24 C ATOM 1071 CE1 PHE A 69 4.709 2.231 3.950 1.00 64.03 C ATOM 1072 CE2 PHE A 69 5.220 1.558 1.715 1.00 10.35 C ATOM 1073 CZ PHE A 69 4.499 2.333 2.593 1.00 42.21 C ATOM 0 H PHE A 69 9.318 -1.872 4.804 1.00 11.15 H new ATOM 0 HA PHE A 69 9.181 0.491 3.286 1.00 51.33 H new ATOM 0 HB2 PHE A 69 7.447 -1.318 3.414 1.00 53.14 H new ATOM 0 HB3 PHE A 69 7.077 -0.837 5.058 1.00 53.14 H new ATOM 0 HD1 PHE A 69 5.804 1.270 5.501 1.00 64.23 H new ATOM 0 HD2 PHE A 69 6.713 0.057 1.502 1.00 34.24 H new ATOM 0 HE1 PHE A 69 4.141 2.846 4.632 1.00 64.03 H new ATOM 0 HE2 PHE A 69 5.055 1.648 0.652 1.00 10.35 H new ATOM 0 HZ PHE A 69 3.763 3.027 2.215 1.00 42.21 H new ATOM 1083 N GLN A 70 8.677 0.879 6.529 1.00 12.05 N ATOM 1084 CA GLN A 70 8.621 1.815 7.648 1.00 33.22 C ATOM 1085 C GLN A 70 9.936 2.605 7.759 1.00 2.02 C ATOM 1086 O GLN A 70 9.903 3.828 7.773 1.00 34.11 O ATOM 1087 CB GLN A 70 8.301 1.047 8.957 1.00 2.02 C ATOM 1088 CG GLN A 70 6.924 0.345 8.948 1.00 55.03 C ATOM 1089 CD GLN A 70 6.690 -0.551 10.165 1.00 25.23 C ATOM 1090 OE1 GLN A 70 7.100 -1.809 10.076 1.00 11.44 O flip ATOM 1091 NE2 GLN A 70 6.169 -0.109 11.188 1.00 43.22 N flip ATOM 0 H GLN A 70 8.556 -0.095 6.808 1.00 12.05 H new ATOM 0 HA GLN A 70 7.824 2.538 7.474 1.00 33.22 H new ATOM 0 HB2 GLN A 70 9.077 0.301 9.129 1.00 2.02 H new ATOM 0 HB3 GLN A 70 8.338 1.744 9.794 1.00 2.02 H new ATOM 0 HG2 GLN A 70 6.140 1.101 8.907 1.00 55.03 H new ATOM 0 HG3 GLN A 70 6.837 -0.255 8.042 1.00 55.03 H new ATOM 0 HE21 GLN A 70 5.864 0.864 11.226 1.00 43.22 H new ATOM 0 HE22 GLN A 70 6.042 -0.715 11.999 1.00 43.22 H new ATOM 1100 N ASN A 71 11.074 1.870 7.736 1.00 2.31 N ATOM 1101 CA ASN A 71 12.433 2.433 7.895 1.00 12.00 C ATOM 1102 C ASN A 71 12.771 3.397 6.744 1.00 12.13 C ATOM 1103 O ASN A 71 13.156 4.543 6.991 1.00 31.25 O ATOM 1104 CB ASN A 71 13.505 1.302 7.971 1.00 42.13 C ATOM 1105 CG ASN A 71 13.354 0.375 9.181 1.00 63.45 C ATOM 1106 OD1 ASN A 71 12.836 0.764 10.230 1.00 44.24 O ATOM 1107 ND2 ASN A 71 13.818 -0.860 9.040 1.00 45.11 N ATOM 0 H ASN A 71 11.072 0.858 7.605 1.00 2.31 H new ATOM 0 HA ASN A 71 12.447 2.990 8.832 1.00 12.00 H new ATOM 0 HB2 ASN A 71 13.452 0.705 7.061 1.00 42.13 H new ATOM 0 HB3 ASN A 71 14.495 1.756 7.997 1.00 42.13 H new ATOM 0 HD21 ASN A 71 13.752 -1.521 9.814 1.00 45.11 H new ATOM 0 HD22 ASN A 71 14.241 -1.148 8.158 1.00 45.11 H new ATOM 1114 N GLU A 72 12.579 2.923 5.493 1.00 33.23 N ATOM 1115 CA GLU A 72 12.918 3.684 4.269 1.00 2.15 C ATOM 1116 C GLU A 72 12.062 4.953 4.129 1.00 32.33 C ATOM 1117 O GLU A 72 12.502 5.929 3.527 1.00 1.33 O ATOM 1118 CB GLU A 72 12.771 2.812 2.987 1.00 10.12 C ATOM 1119 CG GLU A 72 13.709 1.589 2.903 1.00 0.41 C ATOM 1120 CD GLU A 72 15.204 1.939 2.928 1.00 72.20 C ATOM 1121 OE1 GLU A 72 15.769 2.275 1.867 1.00 2.42 O ATOM 1122 OE2 GLU A 72 15.832 1.876 4.003 1.00 61.43 O ATOM 0 H GLU A 72 12.185 2.002 5.303 1.00 33.23 H new ATOM 0 HA GLU A 72 13.962 3.979 4.373 1.00 2.15 H new ATOM 0 HB2 GLU A 72 11.741 2.462 2.923 1.00 10.12 H new ATOM 0 HB3 GLU A 72 12.948 3.444 2.117 1.00 10.12 H new ATOM 0 HG2 GLU A 72 13.490 0.920 3.735 1.00 0.41 H new ATOM 0 HG3 GLU A 72 13.491 1.040 1.987 1.00 0.41 H new ATOM 1129 N ALA A 73 10.830 4.919 4.665 1.00 13.11 N ATOM 1130 CA ALA A 73 9.924 6.077 4.640 1.00 40.23 C ATOM 1131 C ALA A 73 10.317 7.119 5.716 1.00 55.11 C ATOM 1132 O ALA A 73 10.539 8.293 5.394 1.00 33.43 O ATOM 1133 CB ALA A 73 8.470 5.613 4.806 1.00 33.54 C ATOM 0 H ALA A 73 10.438 4.096 5.123 1.00 13.11 H new ATOM 0 HA ALA A 73 10.015 6.569 3.672 1.00 40.23 H new ATOM 0 HB1 ALA A 73 7.807 6.478 4.786 1.00 33.54 H new ATOM 0 HB2 ALA A 73 8.209 4.937 3.992 1.00 33.54 H new ATOM 0 HB3 ALA A 73 8.360 5.094 5.758 1.00 33.54 H new ATOM 1139 N LYS A 74 10.452 6.670 6.991 1.00 3.00 N ATOM 1140 CA LYS A 74 10.637 7.580 8.156 1.00 30.21 C ATOM 1141 C LYS A 74 12.023 8.255 8.163 1.00 5.54 C ATOM 1142 O LYS A 74 12.151 9.387 8.647 1.00 10.11 O ATOM 1143 CB LYS A 74 10.330 6.849 9.512 1.00 31.20 C ATOM 1144 CG LYS A 74 11.178 5.586 9.864 1.00 0.43 C ATOM 1145 CD LYS A 74 12.566 5.868 10.498 1.00 22.22 C ATOM 1146 CE LYS A 74 12.477 6.600 11.846 1.00 25.22 C ATOM 1147 NZ LYS A 74 13.821 6.812 12.445 1.00 13.15 N ATOM 0 H LYS A 74 10.436 5.681 7.240 1.00 3.00 H new ATOM 0 HA LYS A 74 9.908 8.383 8.048 1.00 30.21 H new ATOM 0 HB2 LYS A 74 10.454 7.572 10.318 1.00 31.20 H new ATOM 0 HB3 LYS A 74 9.280 6.557 9.505 1.00 31.20 H new ATOM 0 HG2 LYS A 74 10.604 4.964 10.551 1.00 0.43 H new ATOM 0 HG3 LYS A 74 11.325 5.004 8.954 1.00 0.43 H new ATOM 0 HD2 LYS A 74 13.093 4.924 10.638 1.00 22.22 H new ATOM 0 HD3 LYS A 74 13.160 6.465 9.806 1.00 22.22 H new ATOM 0 HE2 LYS A 74 11.985 7.562 11.706 1.00 25.22 H new ATOM 0 HE3 LYS A 74 11.859 6.023 12.534 1.00 25.22 H new ATOM 0 HZ1 LYS A 74 13.722 7.309 13.353 1.00 13.15 H new ATOM 0 HZ2 LYS A 74 14.280 5.892 12.602 1.00 13.15 H new ATOM 0 HZ3 LYS A 74 14.402 7.384 11.800 1.00 13.15 H new ATOM 1161 N LYS A 75 13.052 7.564 7.623 1.00 14.04 N ATOM 1162 CA LYS A 75 14.425 8.117 7.531 1.00 1.44 C ATOM 1163 C LYS A 75 14.472 9.309 6.545 1.00 62.12 C ATOM 1164 O LYS A 75 15.284 10.226 6.691 1.00 25.11 O ATOM 1165 CB LYS A 75 15.443 7.021 7.109 1.00 74.43 C ATOM 1166 CG LYS A 75 15.287 6.560 5.652 1.00 15.34 C ATOM 1167 CD LYS A 75 16.368 5.562 5.193 1.00 11.44 C ATOM 1168 CE LYS A 75 16.347 5.384 3.674 1.00 61.34 C ATOM 1169 NZ LYS A 75 17.348 4.396 3.202 1.00 35.30 N ATOM 0 H LYS A 75 12.959 6.622 7.244 1.00 14.04 H new ATOM 0 HA LYS A 75 14.706 8.477 8.521 1.00 1.44 H new ATOM 0 HB2 LYS A 75 16.454 7.402 7.254 1.00 74.43 H new ATOM 0 HB3 LYS A 75 15.330 6.160 7.767 1.00 74.43 H new ATOM 0 HG2 LYS A 75 14.306 6.100 5.530 1.00 15.34 H new ATOM 0 HG3 LYS A 75 15.313 7.433 5.000 1.00 15.34 H new ATOM 0 HD2 LYS A 75 17.350 5.916 5.507 1.00 11.44 H new ATOM 0 HD3 LYS A 75 16.207 4.599 5.677 1.00 11.44 H new ATOM 0 HE2 LYS A 75 15.352 5.065 3.363 1.00 61.34 H new ATOM 0 HE3 LYS A 75 16.537 6.345 3.196 1.00 61.34 H new ATOM 0 HZ1 LYS A 75 16.918 3.785 2.479 1.00 35.30 H new ATOM 0 HZ2 LYS A 75 18.163 4.896 2.793 1.00 35.30 H new ATOM 0 HZ3 LYS A 75 17.666 3.814 4.003 1.00 35.30 H new ATOM 1183 N GLU A 76 13.581 9.264 5.539 1.00 51.41 N ATOM 1184 CA GLU A 76 13.475 10.290 4.489 1.00 25.11 C ATOM 1185 C GLU A 76 12.452 11.374 4.881 1.00 43.04 C ATOM 1186 O GLU A 76 12.443 12.466 4.304 1.00 43.21 O ATOM 1187 CB GLU A 76 13.067 9.613 3.158 1.00 72.04 C ATOM 1188 CG GLU A 76 14.034 8.505 2.677 1.00 11.35 C ATOM 1189 CD GLU A 76 15.470 8.994 2.401 1.00 32.15 C ATOM 1190 OE1 GLU A 76 15.739 9.467 1.282 1.00 12.31 O ATOM 1191 OE2 GLU A 76 16.333 8.903 3.299 1.00 5.33 O ATOM 0 H GLU A 76 12.907 8.506 5.432 1.00 51.41 H new ATOM 0 HA GLU A 76 14.442 10.777 4.367 1.00 25.11 H new ATOM 0 HB2 GLU A 76 12.072 9.184 3.274 1.00 72.04 H new ATOM 0 HB3 GLU A 76 12.996 10.377 2.384 1.00 72.04 H new ATOM 0 HG2 GLU A 76 14.069 7.717 3.430 1.00 11.35 H new ATOM 0 HG3 GLU A 76 13.633 8.059 1.767 1.00 11.35 H new ATOM 1198 N GLY A 77 11.592 11.045 5.868 1.00 40.43 N ATOM 1199 CA GLY A 77 10.537 11.949 6.348 1.00 75.31 C ATOM 1200 C GLY A 77 9.202 11.754 5.634 1.00 20.11 C ATOM 1201 O GLY A 77 8.247 12.499 5.896 1.00 75.34 O ATOM 0 H GLY A 77 11.613 10.147 6.350 1.00 40.43 H new ATOM 0 HA2 GLY A 77 10.395 11.794 7.418 1.00 75.31 H new ATOM 0 HA3 GLY A 77 10.864 12.980 6.216 1.00 75.31 H new ATOM 1205 N VAL A 78 9.142 10.745 4.745 1.00 51.34 N ATOM 1206 CA VAL A 78 7.933 10.389 3.982 1.00 54.31 C ATOM 1207 C VAL A 78 6.789 9.992 4.935 1.00 21.41 C ATOM 1208 O VAL A 78 6.970 9.141 5.812 1.00 43.34 O ATOM 1209 CB VAL A 78 8.237 9.217 2.966 1.00 61.10 C ATOM 1210 CG1 VAL A 78 6.956 8.680 2.287 1.00 34.25 C ATOM 1211 CG2 VAL A 78 9.261 9.666 1.898 1.00 52.20 C ATOM 0 H VAL A 78 9.942 10.148 4.535 1.00 51.34 H new ATOM 0 HA VAL A 78 7.621 11.264 3.412 1.00 54.31 H new ATOM 0 HB VAL A 78 8.665 8.400 3.547 1.00 61.10 H new ATOM 0 HG11 VAL A 78 7.218 7.877 1.599 1.00 34.25 H new ATOM 0 HG12 VAL A 78 6.274 8.298 3.047 1.00 34.25 H new ATOM 0 HG13 VAL A 78 6.471 9.486 1.736 1.00 34.25 H new ATOM 0 HG21 VAL A 78 9.454 8.843 1.210 1.00 52.20 H new ATOM 0 HG22 VAL A 78 8.860 10.515 1.344 1.00 52.20 H new ATOM 0 HG23 VAL A 78 10.191 9.957 2.386 1.00 52.20 H new ATOM 1221 N SER A 79 5.629 10.648 4.756 1.00 41.23 N ATOM 1222 CA SER A 79 4.416 10.392 5.536 1.00 21.02 C ATOM 1223 C SER A 79 3.744 9.112 5.033 1.00 45.31 C ATOM 1224 O SER A 79 3.489 8.968 3.831 1.00 10.32 O ATOM 1225 CB SER A 79 3.462 11.599 5.417 1.00 72.22 C ATOM 1226 OG SER A 79 4.060 12.761 5.965 1.00 2.31 O ATOM 0 H SER A 79 5.511 11.380 4.055 1.00 41.23 H new ATOM 0 HA SER A 79 4.673 10.257 6.587 1.00 21.02 H new ATOM 0 HB2 SER A 79 3.212 11.771 4.370 1.00 72.22 H new ATOM 0 HB3 SER A 79 2.528 11.384 5.936 1.00 72.22 H new ATOM 0 HG SER A 79 3.443 13.517 5.880 1.00 2.31 H new ATOM 1232 N TYR A 80 3.478 8.180 5.954 1.00 11.12 N ATOM 1233 CA TYR A 80 2.883 6.881 5.628 1.00 1.31 C ATOM 1234 C TYR A 80 1.893 6.450 6.712 1.00 42.13 C ATOM 1235 O TYR A 80 1.997 6.853 7.881 1.00 30.24 O ATOM 1236 CB TYR A 80 3.988 5.801 5.417 1.00 3.21 C ATOM 1237 CG TYR A 80 4.899 5.507 6.627 1.00 55.13 C ATOM 1238 CD1 TYR A 80 5.823 6.453 7.080 1.00 22.12 C ATOM 1239 CD2 TYR A 80 4.852 4.279 7.296 1.00 20.02 C ATOM 1240 CE1 TYR A 80 6.661 6.189 8.137 1.00 75.45 C ATOM 1241 CE2 TYR A 80 5.697 4.012 8.352 1.00 0.43 C ATOM 1242 CZ TYR A 80 6.595 4.971 8.772 1.00 11.43 C ATOM 1243 OH TYR A 80 7.440 4.708 9.827 1.00 75.00 O ATOM 0 H TYR A 80 3.670 8.306 6.948 1.00 11.12 H new ATOM 0 HA TYR A 80 2.333 6.984 4.692 1.00 1.31 H new ATOM 0 HB2 TYR A 80 3.504 4.871 5.119 1.00 3.21 H new ATOM 0 HB3 TYR A 80 4.617 6.114 4.584 1.00 3.21 H new ATOM 0 HD1 TYR A 80 5.880 7.413 6.588 1.00 22.12 H new ATOM 0 HD2 TYR A 80 4.143 3.528 6.980 1.00 20.02 H new ATOM 0 HE1 TYR A 80 7.368 6.935 8.468 1.00 75.45 H new ATOM 0 HE2 TYR A 80 5.656 3.054 8.849 1.00 0.43 H new ATOM 0 HH TYR A 80 7.263 5.341 10.554 1.00 75.00 H new ATOM 1253 N ASP A 81 0.923 5.647 6.286 1.00 71.01 N ATOM 1254 CA ASP A 81 -0.037 4.970 7.160 1.00 1.24 C ATOM 1255 C ASP A 81 0.110 3.464 6.933 1.00 25.23 C ATOM 1256 O ASP A 81 0.457 3.043 5.830 1.00 72.10 O ATOM 1257 CB ASP A 81 -1.486 5.456 6.858 1.00 41.24 C ATOM 1258 CG ASP A 81 -2.591 4.789 7.716 1.00 75.31 C ATOM 1259 OD1 ASP A 81 -2.324 4.386 8.869 1.00 54.43 O ATOM 1260 OD2 ASP A 81 -3.750 4.722 7.257 1.00 13.34 O ATOM 0 H ASP A 81 0.777 5.442 5.298 1.00 71.01 H new ATOM 0 HA ASP A 81 0.162 5.204 8.206 1.00 1.24 H new ATOM 0 HB2 ASP A 81 -1.531 6.535 7.009 1.00 41.24 H new ATOM 0 HB3 ASP A 81 -1.703 5.272 5.806 1.00 41.24 H new ATOM 1265 N VAL A 82 -0.121 2.659 7.985 1.00 50.22 N ATOM 1266 CA VAL A 82 -0.008 1.190 7.917 1.00 51.00 C ATOM 1267 C VAL A 82 -1.357 0.567 8.321 1.00 50.52 C ATOM 1268 O VAL A 82 -1.993 1.007 9.282 1.00 2.43 O ATOM 1269 CB VAL A 82 1.157 0.652 8.835 1.00 64.43 C ATOM 1270 CG1 VAL A 82 1.258 -0.892 8.798 1.00 1.14 C ATOM 1271 CG2 VAL A 82 2.518 1.289 8.452 1.00 64.12 C ATOM 0 H VAL A 82 -0.391 3.007 8.905 1.00 50.22 H new ATOM 0 HA VAL A 82 0.238 0.902 6.895 1.00 51.00 H new ATOM 0 HB VAL A 82 0.912 0.946 9.856 1.00 64.43 H new ATOM 0 HG11 VAL A 82 2.073 -1.219 9.444 1.00 1.14 H new ATOM 0 HG12 VAL A 82 0.321 -1.326 9.147 1.00 1.14 H new ATOM 0 HG13 VAL A 82 1.451 -1.220 7.776 1.00 1.14 H new ATOM 0 HG21 VAL A 82 3.299 0.897 9.103 1.00 64.12 H new ATOM 0 HG22 VAL A 82 2.754 1.047 7.416 1.00 64.12 H new ATOM 0 HG23 VAL A 82 2.458 2.371 8.567 1.00 64.12 H new ATOM 1281 N LEU A 83 -1.770 -0.455 7.568 1.00 44.10 N ATOM 1282 CA LEU A 83 -3.054 -1.154 7.734 1.00 12.31 C ATOM 1283 C LEU A 83 -2.805 -2.671 7.647 1.00 11.50 C ATOM 1284 O LEU A 83 -2.133 -3.127 6.733 1.00 54.44 O ATOM 1285 CB LEU A 83 -4.016 -0.699 6.602 1.00 23.21 C ATOM 1286 CG LEU A 83 -5.423 -1.383 6.550 1.00 65.30 C ATOM 1287 CD1 LEU A 83 -6.296 -0.989 7.764 1.00 3.14 C ATOM 1288 CD2 LEU A 83 -6.127 -1.076 5.211 1.00 23.35 C ATOM 0 H LEU A 83 -1.208 -0.832 6.805 1.00 44.10 H new ATOM 0 HA LEU A 83 -3.501 -0.920 8.700 1.00 12.31 H new ATOM 0 HB2 LEU A 83 -4.165 0.377 6.696 1.00 23.21 H new ATOM 0 HB3 LEU A 83 -3.520 -0.870 5.646 1.00 23.21 H new ATOM 0 HG LEU A 83 -5.276 -2.461 6.609 1.00 65.30 H new ATOM 0 HD11 LEU A 83 -7.264 -1.484 7.692 1.00 3.14 H new ATOM 0 HD12 LEU A 83 -5.799 -1.296 8.684 1.00 3.14 H new ATOM 0 HD13 LEU A 83 -6.440 0.091 7.773 1.00 3.14 H new ATOM 0 HD21 LEU A 83 -7.103 -1.560 5.194 1.00 23.35 H new ATOM 0 HD22 LEU A 83 -6.254 0.001 5.105 1.00 23.35 H new ATOM 0 HD23 LEU A 83 -5.521 -1.452 4.387 1.00 23.35 H new ATOM 1300 N LYS A 84 -3.315 -3.435 8.627 1.00 45.32 N ATOM 1301 CA LYS A 84 -3.287 -4.918 8.612 1.00 2.12 C ATOM 1302 C LYS A 84 -4.731 -5.432 8.718 1.00 13.54 C ATOM 1303 O LYS A 84 -5.321 -5.411 9.804 1.00 52.44 O ATOM 1304 CB LYS A 84 -2.403 -5.503 9.767 1.00 24.31 C ATOM 1305 CG LYS A 84 -0.872 -5.491 9.513 1.00 54.32 C ATOM 1306 CD LYS A 84 -0.207 -4.099 9.684 1.00 5.34 C ATOM 1307 CE LYS A 84 0.075 -3.699 11.145 1.00 44.23 C ATOM 1308 NZ LYS A 84 -1.142 -3.637 12.007 1.00 14.54 N ATOM 0 H LYS A 84 -3.761 -3.046 9.458 1.00 45.32 H new ATOM 0 HA LYS A 84 -2.835 -5.252 7.678 1.00 2.12 H new ATOM 0 HB2 LYS A 84 -2.606 -4.939 10.677 1.00 24.31 H new ATOM 0 HB3 LYS A 84 -2.714 -6.531 9.953 1.00 24.31 H new ATOM 0 HG2 LYS A 84 -0.397 -6.194 10.197 1.00 54.32 H new ATOM 0 HG3 LYS A 84 -0.680 -5.850 8.502 1.00 54.32 H new ATOM 0 HD2 LYS A 84 0.732 -4.089 9.130 1.00 5.34 H new ATOM 0 HD3 LYS A 84 -0.852 -3.345 9.232 1.00 5.34 H new ATOM 0 HE2 LYS A 84 0.777 -4.413 11.577 1.00 44.23 H new ATOM 0 HE3 LYS A 84 0.564 -2.725 11.156 1.00 44.23 H new ATOM 0 HZ1 LYS A 84 -0.934 -3.083 12.862 1.00 14.54 H new ATOM 0 HZ2 LYS A 84 -1.917 -3.185 11.481 1.00 14.54 H new ATOM 0 HZ3 LYS A 84 -1.424 -4.600 12.279 1.00 14.54 H new ATOM 1322 N SER A 85 -5.300 -5.852 7.574 1.00 63.24 N ATOM 1323 CA SER A 85 -6.681 -6.368 7.477 1.00 2.22 C ATOM 1324 C SER A 85 -6.788 -7.299 6.257 1.00 42.42 C ATOM 1325 O SER A 85 -6.221 -7.005 5.207 1.00 30.51 O ATOM 1326 CB SER A 85 -7.703 -5.201 7.361 1.00 64.33 C ATOM 1327 OG SER A 85 -7.696 -4.382 8.517 1.00 45.22 O ATOM 0 H SER A 85 -4.810 -5.843 6.680 1.00 63.24 H new ATOM 0 HA SER A 85 -6.916 -6.926 8.383 1.00 2.22 H new ATOM 0 HB2 SER A 85 -7.467 -4.596 6.485 1.00 64.33 H new ATOM 0 HB3 SER A 85 -8.703 -5.607 7.208 1.00 64.33 H new ATOM 0 HG SER A 85 -7.934 -3.464 8.269 1.00 45.22 H new ATOM 1333 N THR A 86 -7.498 -8.429 6.414 1.00 70.23 N ATOM 1334 CA THR A 86 -7.727 -9.399 5.318 1.00 15.32 C ATOM 1335 C THR A 86 -9.199 -9.365 4.866 1.00 11.25 C ATOM 1336 O THR A 86 -9.633 -10.204 4.067 1.00 75.01 O ATOM 1337 CB THR A 86 -7.331 -10.841 5.781 1.00 11.33 C ATOM 1338 OG1 THR A 86 -8.205 -11.272 6.839 1.00 21.03 O ATOM 1339 CG2 THR A 86 -5.874 -10.903 6.284 1.00 71.23 C ATOM 0 H THR A 86 -7.929 -8.699 7.298 1.00 70.23 H new ATOM 0 HA THR A 86 -7.101 -9.120 4.470 1.00 15.32 H new ATOM 0 HB THR A 86 -7.426 -11.498 4.916 1.00 11.33 H new ATOM 0 HG1 THR A 86 -7.954 -12.175 7.123 1.00 21.03 H new ATOM 0 HG21 THR A 86 -5.640 -11.921 6.596 1.00 71.23 H new ATOM 0 HG22 THR A 86 -5.199 -10.605 5.482 1.00 71.23 H new ATOM 0 HG23 THR A 86 -5.752 -10.227 7.131 1.00 71.23 H new ATOM 1347 N ASP A 87 -9.960 -8.385 5.392 1.00 34.43 N ATOM 1348 CA ASP A 87 -11.386 -8.190 5.079 1.00 22.33 C ATOM 1349 C ASP A 87 -11.505 -7.396 3.766 1.00 25.43 C ATOM 1350 O ASP A 87 -11.018 -6.252 3.710 1.00 0.52 O ATOM 1351 CB ASP A 87 -12.091 -7.425 6.235 1.00 23.33 C ATOM 1352 CG ASP A 87 -11.901 -8.093 7.607 1.00 32.22 C ATOM 1353 OD1 ASP A 87 -10.795 -7.965 8.193 1.00 41.01 O ATOM 1354 OD2 ASP A 87 -12.845 -8.747 8.112 1.00 50.23 O ATOM 0 H ASP A 87 -9.596 -7.700 6.054 1.00 34.43 H new ATOM 0 HA ASP A 87 -11.871 -9.160 4.965 1.00 22.33 H new ATOM 0 HB2 ASP A 87 -11.704 -6.407 6.277 1.00 23.33 H new ATOM 0 HB3 ASP A 87 -13.157 -7.353 6.018 1.00 23.33 H new ATOM 1359 N PRO A 88 -12.119 -7.978 2.675 1.00 20.54 N ATOM 1360 CA PRO A 88 -12.253 -7.291 1.369 1.00 64.03 C ATOM 1361 C PRO A 88 -12.976 -5.937 1.478 1.00 54.24 C ATOM 1362 O PRO A 88 -12.502 -4.943 0.912 1.00 13.24 O ATOM 1363 CB PRO A 88 -13.024 -8.308 0.472 1.00 1.54 C ATOM 1364 CG PRO A 88 -13.616 -9.307 1.428 1.00 53.34 C ATOM 1365 CD PRO A 88 -12.676 -9.355 2.615 1.00 52.15 C ATOM 0 HA PRO A 88 -11.282 -7.029 0.950 1.00 64.03 H new ATOM 0 HB2 PRO A 88 -13.801 -7.811 -0.109 1.00 1.54 H new ATOM 0 HB3 PRO A 88 -12.355 -8.792 -0.239 1.00 1.54 H new ATOM 0 HG2 PRO A 88 -14.618 -9.007 1.735 1.00 53.34 H new ATOM 0 HG3 PRO A 88 -13.706 -10.288 0.961 1.00 53.34 H new ATOM 0 HD2 PRO A 88 -13.203 -9.615 3.533 1.00 52.15 H new ATOM 0 HD3 PRO A 88 -11.892 -10.099 2.476 1.00 52.15 H new ATOM 1373 N GLU A 89 -14.080 -5.893 2.256 1.00 70.55 N ATOM 1374 CA GLU A 89 -14.879 -4.664 2.427 1.00 33.52 C ATOM 1375 C GLU A 89 -14.045 -3.553 3.113 1.00 61.25 C ATOM 1376 O GLU A 89 -14.131 -2.380 2.721 1.00 21.11 O ATOM 1377 CB GLU A 89 -16.180 -4.951 3.227 1.00 2.00 C ATOM 1378 CG GLU A 89 -15.958 -5.376 4.695 1.00 13.12 C ATOM 1379 CD GLU A 89 -17.259 -5.683 5.446 1.00 1.55 C ATOM 1380 OE1 GLU A 89 -18.036 -4.745 5.718 1.00 25.44 O ATOM 1381 OE2 GLU A 89 -17.528 -6.865 5.750 1.00 42.51 O ATOM 0 H GLU A 89 -14.436 -6.696 2.775 1.00 70.55 H new ATOM 0 HA GLU A 89 -15.164 -4.310 1.436 1.00 33.52 H new ATOM 0 HB2 GLU A 89 -16.803 -4.057 3.213 1.00 2.00 H new ATOM 0 HB3 GLU A 89 -16.738 -5.736 2.717 1.00 2.00 H new ATOM 0 HG2 GLU A 89 -15.318 -6.258 4.717 1.00 13.12 H new ATOM 0 HG3 GLU A 89 -15.424 -4.582 5.218 1.00 13.12 H new ATOM 1388 N GLU A 90 -13.203 -3.959 4.100 1.00 54.12 N ATOM 1389 CA GLU A 90 -12.351 -3.036 4.860 1.00 55.10 C ATOM 1390 C GLU A 90 -11.390 -2.344 3.900 1.00 23.15 C ATOM 1391 O GLU A 90 -11.435 -1.128 3.753 1.00 72.04 O ATOM 1392 CB GLU A 90 -11.562 -3.798 5.960 1.00 22.54 C ATOM 1393 CG GLU A 90 -10.712 -2.908 6.907 1.00 22.22 C ATOM 1394 CD GLU A 90 -11.552 -2.113 7.927 1.00 12.23 C ATOM 1395 OE1 GLU A 90 -12.062 -1.030 7.593 1.00 25.53 O ATOM 1396 OE2 GLU A 90 -11.712 -2.572 9.078 1.00 40.12 O ATOM 0 H GLU A 90 -13.104 -4.934 4.382 1.00 54.12 H new ATOM 0 HA GLU A 90 -12.976 -2.291 5.352 1.00 55.10 H new ATOM 0 HB2 GLU A 90 -12.270 -4.368 6.562 1.00 22.54 H new ATOM 0 HB3 GLU A 90 -10.902 -4.519 5.477 1.00 22.54 H new ATOM 0 HG2 GLU A 90 -10.003 -3.538 7.445 1.00 22.22 H new ATOM 0 HG3 GLU A 90 -10.127 -2.210 6.308 1.00 22.22 H new ATOM 1403 N LEU A 91 -10.605 -3.162 3.174 1.00 44.13 N ATOM 1404 CA LEU A 91 -9.543 -2.684 2.272 1.00 63.14 C ATOM 1405 C LEU A 91 -10.115 -1.780 1.150 1.00 54.12 C ATOM 1406 O LEU A 91 -9.506 -0.764 0.811 1.00 12.44 O ATOM 1407 CB LEU A 91 -8.764 -3.887 1.665 1.00 3.33 C ATOM 1408 CG LEU A 91 -8.186 -4.927 2.677 1.00 71.23 C ATOM 1409 CD1 LEU A 91 -7.377 -6.031 1.953 1.00 0.41 C ATOM 1410 CD2 LEU A 91 -7.351 -4.236 3.775 1.00 32.33 C ATOM 0 H LEU A 91 -10.691 -4.178 3.198 1.00 44.13 H new ATOM 0 HA LEU A 91 -8.852 -2.081 2.860 1.00 63.14 H new ATOM 0 HB2 LEU A 91 -9.429 -4.412 0.979 1.00 3.33 H new ATOM 0 HB3 LEU A 91 -7.939 -3.494 1.071 1.00 3.33 H new ATOM 0 HG LEU A 91 -9.029 -5.414 3.168 1.00 71.23 H new ATOM 0 HD11 LEU A 91 -6.989 -6.738 2.686 1.00 0.41 H new ATOM 0 HD12 LEU A 91 -8.025 -6.556 1.251 1.00 0.41 H new ATOM 0 HD13 LEU A 91 -6.547 -5.578 1.411 1.00 0.41 H new ATOM 0 HD21 LEU A 91 -6.963 -4.987 4.463 1.00 32.33 H new ATOM 0 HD22 LEU A 91 -6.520 -3.700 3.317 1.00 32.33 H new ATOM 0 HD23 LEU A 91 -7.979 -3.533 4.322 1.00 32.33 H new ATOM 1422 N THR A 92 -11.305 -2.158 0.619 1.00 65.25 N ATOM 1423 CA THR A 92 -12.002 -1.420 -0.460 1.00 4.04 C ATOM 1424 C THR A 92 -12.354 0.015 -0.023 1.00 10.11 C ATOM 1425 O THR A 92 -12.064 0.983 -0.746 1.00 3.01 O ATOM 1426 CB THR A 92 -13.300 -2.186 -0.924 1.00 35.23 C ATOM 1427 OG1 THR A 92 -12.954 -3.496 -1.418 1.00 43.41 O ATOM 1428 CG2 THR A 92 -14.078 -1.438 -2.027 1.00 3.55 C ATOM 0 H THR A 92 -11.809 -2.988 0.930 1.00 65.25 H new ATOM 0 HA THR A 92 -11.317 -1.358 -1.306 1.00 4.04 H new ATOM 0 HB THR A 92 -13.943 -2.257 -0.047 1.00 35.23 H new ATOM 0 HG1 THR A 92 -12.771 -4.093 -0.662 1.00 43.41 H new ATOM 0 HG21 THR A 92 -14.961 -2.014 -2.304 1.00 3.55 H new ATOM 0 HG22 THR A 92 -14.385 -0.460 -1.656 1.00 3.55 H new ATOM 0 HG23 THR A 92 -13.439 -1.310 -2.900 1.00 3.55 H new ATOM 1436 N GLN A 93 -12.952 0.149 1.176 1.00 20.55 N ATOM 1437 CA GLN A 93 -13.365 1.461 1.687 1.00 72.41 C ATOM 1438 C GLN A 93 -12.150 2.252 2.223 1.00 75.23 C ATOM 1439 O GLN A 93 -12.190 3.476 2.261 1.00 30.32 O ATOM 1440 CB GLN A 93 -14.519 1.320 2.729 1.00 62.20 C ATOM 1441 CG GLN A 93 -14.172 0.652 4.088 1.00 34.51 C ATOM 1442 CD GLN A 93 -13.486 1.577 5.105 1.00 62.43 C ATOM 1443 OE1 GLN A 93 -13.849 2.851 5.120 1.00 62.21 O flip ATOM 1444 NE2 GLN A 93 -12.671 1.138 5.911 1.00 33.13 N flip ATOM 0 H GLN A 93 -13.157 -0.631 1.801 1.00 20.55 H new ATOM 0 HA GLN A 93 -13.772 2.046 0.862 1.00 72.41 H new ATOM 0 HB2 GLN A 93 -14.913 2.316 2.933 1.00 62.20 H new ATOM 0 HB3 GLN A 93 -15.323 0.747 2.267 1.00 62.20 H new ATOM 0 HG2 GLN A 93 -15.090 0.265 4.531 1.00 34.51 H new ATOM 0 HG3 GLN A 93 -13.523 -0.204 3.901 1.00 34.51 H new ATOM 0 HE21 GLN A 93 -12.405 0.154 5.883 1.00 33.13 H new ATOM 0 HE22 GLN A 93 -12.260 1.757 6.609 1.00 33.13 H new ATOM 1453 N ARG A 94 -11.064 1.548 2.617 1.00 55.20 N ATOM 1454 CA ARG A 94 -9.821 2.203 3.081 1.00 5.04 C ATOM 1455 C ARG A 94 -9.101 2.922 1.925 1.00 2.14 C ATOM 1456 O ARG A 94 -8.436 3.928 2.162 1.00 21.44 O ATOM 1457 CB ARG A 94 -8.861 1.195 3.771 1.00 45.13 C ATOM 1458 CG ARG A 94 -9.353 0.651 5.132 1.00 44.15 C ATOM 1459 CD ARG A 94 -9.419 1.716 6.239 1.00 24.34 C ATOM 1460 NE ARG A 94 -9.965 1.149 7.483 1.00 42.33 N ATOM 1461 CZ ARG A 94 -9.478 1.351 8.714 1.00 12.13 C ATOM 1462 NH1 ARG A 94 -8.411 2.125 8.919 1.00 64.30 N ATOM 1463 NH2 ARG A 94 -10.067 0.756 9.734 1.00 22.24 N ATOM 0 H ARG A 94 -11.024 0.529 2.623 1.00 55.20 H new ATOM 0 HA ARG A 94 -10.114 2.948 3.821 1.00 5.04 H new ATOM 0 HB2 ARG A 94 -8.697 0.353 3.098 1.00 45.13 H new ATOM 0 HB3 ARG A 94 -7.895 1.678 3.918 1.00 45.13 H new ATOM 0 HG2 ARG A 94 -10.343 0.214 5.002 1.00 44.15 H new ATOM 0 HG3 ARG A 94 -8.690 -0.152 5.453 1.00 44.15 H new ATOM 0 HD2 ARG A 94 -8.422 2.116 6.424 1.00 24.34 H new ATOM 0 HD3 ARG A 94 -10.041 2.549 5.911 1.00 24.34 H new ATOM 0 HE ARG A 94 -10.786 0.550 7.400 1.00 42.33 H new ATOM 0 HH11 ARG A 94 -7.949 2.577 8.130 1.00 64.30 H new ATOM 0 HH12 ARG A 94 -8.057 2.265 9.865 1.00 64.30 H new ATOM 0 HH21 ARG A 94 -10.877 0.156 9.576 1.00 22.24 H new ATOM 0 HH22 ARG A 94 -9.713 0.896 10.680 1.00 22.24 H new ATOM 1477 N VAL A 95 -9.232 2.392 0.682 1.00 33.21 N ATOM 1478 CA VAL A 95 -8.674 3.042 -0.522 1.00 60.24 C ATOM 1479 C VAL A 95 -9.296 4.444 -0.702 1.00 33.14 C ATOM 1480 O VAL A 95 -8.578 5.438 -0.691 1.00 20.21 O ATOM 1481 CB VAL A 95 -8.896 2.183 -1.831 1.00 72.14 C ATOM 1482 CG1 VAL A 95 -8.356 2.909 -3.094 1.00 21.15 C ATOM 1483 CG2 VAL A 95 -8.254 0.779 -1.701 1.00 0.00 C ATOM 0 H VAL A 95 -9.720 1.517 0.492 1.00 33.21 H new ATOM 0 HA VAL A 95 -7.598 3.130 -0.371 1.00 60.24 H new ATOM 0 HB VAL A 95 -9.972 2.059 -1.949 1.00 72.14 H new ATOM 0 HG11 VAL A 95 -8.527 2.287 -3.972 1.00 21.15 H new ATOM 0 HG12 VAL A 95 -8.874 3.860 -3.216 1.00 21.15 H new ATOM 0 HG13 VAL A 95 -7.287 3.090 -2.980 1.00 21.15 H new ATOM 0 HG21 VAL A 95 -8.425 0.214 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.182 0.883 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.703 0.250 -0.860 1.00 0.00 H new ATOM 1493 N ARG A 96 -10.643 4.502 -0.802 1.00 14.53 N ATOM 1494 CA ARG A 96 -11.374 5.767 -1.057 1.00 53.11 C ATOM 1495 C ARG A 96 -11.225 6.772 0.098 1.00 13.41 C ATOM 1496 O ARG A 96 -11.105 7.975 -0.151 1.00 32.02 O ATOM 1497 CB ARG A 96 -12.874 5.504 -1.335 1.00 2.40 C ATOM 1498 CG ARG A 96 -13.634 4.786 -0.199 1.00 2.51 C ATOM 1499 CD ARG A 96 -15.143 4.670 -0.446 1.00 22.11 C ATOM 1500 NE ARG A 96 -15.453 3.900 -1.663 1.00 1.34 N ATOM 1501 CZ ARG A 96 -16.669 3.798 -2.225 1.00 45.42 C ATOM 1502 NH1 ARG A 96 -17.733 4.410 -1.699 1.00 44.45 N ATOM 1503 NH2 ARG A 96 -16.808 3.085 -3.329 1.00 13.01 N ATOM 0 H ARG A 96 -11.248 3.686 -0.710 1.00 14.53 H new ATOM 0 HA ARG A 96 -10.921 6.208 -1.945 1.00 53.11 H new ATOM 0 HB2 ARG A 96 -13.364 6.458 -1.533 1.00 2.40 H new ATOM 0 HB3 ARG A 96 -12.960 4.907 -2.243 1.00 2.40 H new ATOM 0 HG2 ARG A 96 -13.218 3.787 -0.070 1.00 2.51 H new ATOM 0 HG3 ARG A 96 -13.468 5.324 0.734 1.00 2.51 H new ATOM 0 HD2 ARG A 96 -15.614 4.192 0.413 1.00 22.11 H new ATOM 0 HD3 ARG A 96 -15.573 5.668 -0.531 1.00 22.11 H new ATOM 0 HE ARG A 96 -14.684 3.405 -2.115 1.00 1.34 H new ATOM 0 HH11 ARG A 96 -17.633 4.970 -0.852 1.00 44.45 H new ATOM 0 HH12 ARG A 96 -18.646 4.318 -2.144 1.00 44.45 H new ATOM 0 HH21 ARG A 96 -15.999 2.622 -3.742 1.00 13.01 H new ATOM 0 HH22 ARG A 96 -17.725 2.998 -3.768 1.00 13.01 H new ATOM 1517 N GLU A 97 -11.234 6.269 1.355 1.00 21.42 N ATOM 1518 CA GLU A 97 -11.061 7.110 2.550 1.00 14.41 C ATOM 1519 C GLU A 97 -9.673 7.758 2.555 1.00 62.41 C ATOM 1520 O GLU A 97 -9.534 8.947 2.889 1.00 3.24 O ATOM 1521 CB GLU A 97 -11.279 6.286 3.847 1.00 43.21 C ATOM 1522 CG GLU A 97 -12.748 5.917 4.132 1.00 63.12 C ATOM 1523 CD GLU A 97 -13.677 7.143 4.205 1.00 73.15 C ATOM 1524 OE1 GLU A 97 -13.566 7.934 5.172 1.00 34.42 O ATOM 1525 OE2 GLU A 97 -14.524 7.330 3.303 1.00 54.04 O ATOM 0 H GLU A 97 -11.360 5.278 1.562 1.00 21.42 H new ATOM 0 HA GLU A 97 -11.813 7.898 2.519 1.00 14.41 H new ATOM 0 HB2 GLU A 97 -10.694 5.369 3.782 1.00 43.21 H new ATOM 0 HB3 GLU A 97 -10.890 6.853 4.692 1.00 43.21 H new ATOM 0 HG2 GLU A 97 -13.105 5.244 3.352 1.00 63.12 H new ATOM 0 HG3 GLU A 97 -12.803 5.371 5.074 1.00 63.12 H new ATOM 1532 N PHE A 98 -8.664 6.957 2.156 1.00 71.12 N ATOM 1533 CA PHE A 98 -7.284 7.417 2.043 1.00 42.43 C ATOM 1534 C PHE A 98 -7.163 8.511 0.969 1.00 43.53 C ATOM 1535 O PHE A 98 -6.585 9.561 1.230 1.00 14.22 O ATOM 1536 CB PHE A 98 -6.309 6.245 1.730 1.00 61.43 C ATOM 1537 CG PHE A 98 -4.885 6.733 1.513 1.00 21.54 C ATOM 1538 CD1 PHE A 98 -4.130 7.195 2.591 1.00 22.24 C ATOM 1539 CD2 PHE A 98 -4.325 6.801 0.233 1.00 13.52 C ATOM 1540 CE1 PHE A 98 -2.875 7.713 2.392 1.00 64.20 C ATOM 1541 CE2 PHE A 98 -3.065 7.309 0.048 1.00 61.15 C ATOM 1542 CZ PHE A 98 -2.347 7.768 1.123 1.00 32.10 C ATOM 0 H PHE A 98 -8.793 5.977 1.906 1.00 71.12 H new ATOM 0 HA PHE A 98 -7.001 7.836 3.009 1.00 42.43 H new ATOM 0 HB2 PHE A 98 -6.326 5.530 2.552 1.00 61.43 H new ATOM 0 HB3 PHE A 98 -6.651 5.716 0.840 1.00 61.43 H new ATOM 0 HD1 PHE A 98 -4.536 7.145 3.590 1.00 22.24 H new ATOM 0 HD2 PHE A 98 -4.890 6.450 -0.618 1.00 13.52 H new ATOM 0 HE1 PHE A 98 -2.302 8.077 3.232 1.00 64.20 H new ATOM 0 HE2 PHE A 98 -2.638 7.348 -0.943 1.00 61.15 H new ATOM 0 HZ PHE A 98 -1.359 8.176 0.972 1.00 32.10 H new ATOM 1552 N LEU A 99 -7.712 8.242 -0.233 1.00 41.11 N ATOM 1553 CA LEU A 99 -7.605 9.159 -1.386 1.00 2.51 C ATOM 1554 C LEU A 99 -8.294 10.499 -1.083 1.00 34.32 C ATOM 1555 O LEU A 99 -7.822 11.555 -1.494 1.00 4.51 O ATOM 1556 CB LEU A 99 -8.211 8.519 -2.668 1.00 41.13 C ATOM 1557 CG LEU A 99 -7.596 7.155 -3.121 1.00 34.35 C ATOM 1558 CD1 LEU A 99 -8.210 6.675 -4.458 1.00 21.02 C ATOM 1559 CD2 LEU A 99 -6.054 7.220 -3.187 1.00 50.03 C ATOM 0 H LEU A 99 -8.238 7.391 -0.431 1.00 41.11 H new ATOM 0 HA LEU A 99 -6.546 9.346 -1.565 1.00 2.51 H new ATOM 0 HB2 LEU A 99 -9.279 8.375 -2.506 1.00 41.13 H new ATOM 0 HB3 LEU A 99 -8.106 9.230 -3.487 1.00 41.13 H new ATOM 0 HG LEU A 99 -7.851 6.413 -2.364 1.00 34.35 H new ATOM 0 HD11 LEU A 99 -7.760 5.724 -4.744 1.00 21.02 H new ATOM 0 HD12 LEU A 99 -9.286 6.546 -4.339 1.00 21.02 H new ATOM 0 HD13 LEU A 99 -8.017 7.416 -5.234 1.00 21.02 H new ATOM 0 HD21 LEU A 99 -5.662 6.254 -3.505 1.00 50.03 H new ATOM 0 HD22 LEU A 99 -5.752 7.987 -3.901 1.00 50.03 H new ATOM 0 HD23 LEU A 99 -5.658 7.465 -2.202 1.00 50.03 H new ATOM 1571 N LYS A 100 -9.397 10.432 -0.327 1.00 60.12 N ATOM 1572 CA LYS A 100 -10.183 11.610 0.061 1.00 10.21 C ATOM 1573 C LYS A 100 -9.405 12.495 1.062 1.00 53.21 C ATOM 1574 O LYS A 100 -9.386 13.720 0.914 1.00 33.01 O ATOM 1575 CB LYS A 100 -11.538 11.156 0.651 1.00 53.11 C ATOM 1576 CG LYS A 100 -12.445 12.296 1.172 1.00 51.11 C ATOM 1577 CD LYS A 100 -13.774 11.777 1.773 1.00 60.42 C ATOM 1578 CE LYS A 100 -13.557 10.711 2.866 1.00 72.23 C ATOM 1579 NZ LYS A 100 -14.838 10.213 3.425 1.00 72.12 N ATOM 0 H LYS A 100 -9.771 9.555 0.035 1.00 60.12 H new ATOM 0 HA LYS A 100 -10.371 12.216 -0.825 1.00 10.21 H new ATOM 0 HB2 LYS A 100 -12.082 10.602 -0.114 1.00 53.11 H new ATOM 0 HB3 LYS A 100 -11.346 10.463 1.470 1.00 53.11 H new ATOM 0 HG2 LYS A 100 -11.907 12.865 1.930 1.00 51.11 H new ATOM 0 HG3 LYS A 100 -12.665 12.982 0.354 1.00 51.11 H new ATOM 0 HD2 LYS A 100 -14.329 12.615 2.194 1.00 60.42 H new ATOM 0 HD3 LYS A 100 -14.388 11.355 0.977 1.00 60.42 H new ATOM 0 HE2 LYS A 100 -12.995 9.875 2.449 1.00 72.23 H new ATOM 0 HE3 LYS A 100 -12.952 11.134 3.668 1.00 72.23 H new ATOM 0 HZ1 LYS A 100 -14.877 10.423 4.443 1.00 72.12 H new ATOM 0 HZ2 LYS A 100 -15.632 10.682 2.944 1.00 72.12 H new ATOM 0 HZ3 LYS A 100 -14.904 9.185 3.280 1.00 72.12 H new ATOM 1593 N THR A 101 -8.752 11.872 2.072 1.00 61.12 N ATOM 1594 CA THR A 101 -7.981 12.628 3.093 1.00 1.04 C ATOM 1595 C THR A 101 -6.619 13.096 2.544 1.00 32.32 C ATOM 1596 O THR A 101 -6.065 14.100 3.005 1.00 54.25 O ATOM 1597 CB THR A 101 -7.791 11.812 4.424 1.00 72.51 C ATOM 1598 OG1 THR A 101 -7.215 12.644 5.452 1.00 1.24 O ATOM 1599 CG2 THR A 101 -6.907 10.572 4.234 1.00 15.14 C ATOM 0 H THR A 101 -8.742 10.860 2.203 1.00 61.12 H new ATOM 0 HA THR A 101 -8.573 13.511 3.333 1.00 1.04 H new ATOM 0 HB THR A 101 -8.784 11.478 4.723 1.00 72.51 H new ATOM 0 HG1 THR A 101 -7.526 12.341 6.331 1.00 1.24 H new ATOM 0 HG21 THR A 101 -6.809 10.046 5.184 1.00 15.14 H new ATOM 0 HG22 THR A 101 -7.362 9.910 3.498 1.00 15.14 H new ATOM 0 HG23 THR A 101 -5.921 10.878 3.886 1.00 15.14 H new ATOM 1607 N ALA A 102 -6.091 12.356 1.559 1.00 30.24 N ATOM 1608 CA ALA A 102 -4.829 12.684 0.886 1.00 64.33 C ATOM 1609 C ALA A 102 -5.045 13.726 -0.225 1.00 75.51 C ATOM 1610 O ALA A 102 -4.108 14.432 -0.610 1.00 3.53 O ATOM 1611 CB ALA A 102 -4.203 11.407 0.319 1.00 32.23 C ATOM 0 H ALA A 102 -6.532 11.507 1.205 1.00 30.24 H new ATOM 0 HA ALA A 102 -4.148 13.122 1.616 1.00 64.33 H new ATOM 0 HB1 ALA A 102 -3.266 11.652 -0.181 1.00 32.23 H new ATOM 0 HB2 ALA A 102 -4.009 10.706 1.130 1.00 32.23 H new ATOM 0 HB3 ALA A 102 -4.888 10.953 -0.397 1.00 32.23 H new ATOM 1617 N GLY A 103 -6.285 13.784 -0.742 1.00 33.20 N ATOM 1618 CA GLY A 103 -6.662 14.712 -1.799 1.00 0.04 C ATOM 1619 C GLY A 103 -7.090 16.058 -1.244 1.00 64.12 C ATOM 1620 O GLY A 103 -6.447 17.074 -1.526 1.00 35.13 O ATOM 0 H GLY A 103 -7.049 13.183 -0.431 1.00 33.20 H new ATOM 0 HA2 GLY A 103 -5.821 14.850 -2.478 1.00 0.04 H new ATOM 0 HA3 GLY A 103 -7.477 14.285 -2.384 1.00 0.04 H new ATOM 1624 N SER A 104 -8.167 16.055 -0.431 1.00 15.44 N ATOM 1625 CA SER A 104 -8.734 17.283 0.150 1.00 53.25 C ATOM 1626 C SER A 104 -9.662 16.980 1.353 1.00 33.33 C ATOM 1627 O SER A 104 -10.856 16.708 1.185 1.00 33.33 O ATOM 1628 CB SER A 104 -9.486 18.091 -0.948 1.00 42.12 C ATOM 1629 OG SER A 104 -10.493 17.307 -1.581 1.00 54.20 O ATOM 0 H SER A 104 -8.663 15.205 -0.162 1.00 15.44 H new ATOM 0 HA SER A 104 -7.911 17.887 0.532 1.00 53.25 H new ATOM 0 HB2 SER A 104 -9.940 18.976 -0.502 1.00 42.12 H new ATOM 0 HB3 SER A 104 -8.773 18.441 -1.695 1.00 42.12 H new ATOM 0 HG SER A 104 -10.984 16.797 -0.904 1.00 54.20 H new ATOM 1635 N LEU A 105 -9.074 16.968 2.563 1.00 11.45 N ATOM 1636 CA LEU A 105 -9.810 17.023 3.855 1.00 44.34 C ATOM 1637 C LEU A 105 -9.053 17.959 4.822 1.00 11.21 C ATOM 1638 O LEU A 105 -7.942 18.419 4.510 1.00 15.45 O ATOM 1639 CB LEU A 105 -10.011 15.608 4.496 1.00 25.40 C ATOM 1640 CG LEU A 105 -11.154 14.712 3.903 1.00 45.21 C ATOM 1641 CD1 LEU A 105 -11.307 13.393 4.698 1.00 33.33 C ATOM 1642 CD2 LEU A 105 -12.500 15.468 3.838 1.00 13.35 C ATOM 0 H LEU A 105 -8.062 16.919 2.681 1.00 11.45 H new ATOM 0 HA LEU A 105 -10.809 17.413 3.660 1.00 44.34 H new ATOM 0 HB2 LEU A 105 -9.072 15.061 4.409 1.00 25.40 H new ATOM 0 HB3 LEU A 105 -10.204 15.743 5.560 1.00 25.40 H new ATOM 0 HG LEU A 105 -10.864 14.462 2.882 1.00 45.21 H new ATOM 0 HD11 LEU A 105 -12.107 12.796 4.261 1.00 33.33 H new ATOM 0 HD12 LEU A 105 -10.373 12.833 4.657 1.00 33.33 H new ATOM 0 HD13 LEU A 105 -11.549 13.620 5.736 1.00 33.33 H new ATOM 0 HD21 LEU A 105 -13.265 14.813 3.422 1.00 13.35 H new ATOM 0 HD22 LEU A 105 -12.793 15.776 4.842 1.00 13.35 H new ATOM 0 HD23 LEU A 105 -12.392 16.349 3.205 1.00 13.35 H new ATOM 1654 N GLU A 106 -9.657 18.229 5.994 1.00 74.24 N ATOM 1655 CA GLU A 106 -9.119 19.201 6.964 1.00 75.52 C ATOM 1656 C GLU A 106 -7.982 18.593 7.798 1.00 32.21 C ATOM 1657 O GLU A 106 -6.924 19.219 7.964 1.00 2.32 O ATOM 1658 CB GLU A 106 -10.253 19.731 7.877 1.00 11.42 C ATOM 1659 CG GLU A 106 -11.424 20.393 7.117 1.00 21.43 C ATOM 1660 CD GLU A 106 -10.987 21.538 6.180 1.00 21.01 C ATOM 1661 OE1 GLU A 106 -10.590 22.605 6.678 1.00 41.43 O ATOM 1662 OE2 GLU A 106 -11.021 21.377 4.944 1.00 54.44 O ATOM 0 H GLU A 106 -10.524 17.784 6.294 1.00 74.24 H new ATOM 0 HA GLU A 106 -8.700 20.039 6.406 1.00 75.52 H new ATOM 0 HB2 GLU A 106 -10.642 18.904 8.471 1.00 11.42 H new ATOM 0 HB3 GLU A 106 -9.833 20.455 8.575 1.00 11.42 H new ATOM 0 HG2 GLU A 106 -11.941 19.633 6.531 1.00 21.43 H new ATOM 0 HG3 GLU A 106 -12.142 20.781 7.840 1.00 21.43 H new ATOM 1669 N HIS A 107 -8.200 17.368 8.321 1.00 31.35 N ATOM 1670 CA HIS A 107 -7.178 16.655 9.107 1.00 43.22 C ATOM 1671 C HIS A 107 -6.117 16.092 8.158 1.00 25.03 C ATOM 1672 O HIS A 107 -6.427 15.237 7.311 1.00 63.43 O ATOM 1673 CB HIS A 107 -7.798 15.511 9.958 1.00 63.20 C ATOM 1674 CG HIS A 107 -6.811 14.776 10.847 1.00 11.04 C ATOM 1675 ND1 HIS A 107 -6.496 15.191 12.125 1.00 11.30 N ATOM 1676 CD2 HIS A 107 -6.068 13.654 10.642 1.00 55.32 C ATOM 1677 CE1 HIS A 107 -5.616 14.365 12.656 1.00 72.11 C ATOM 1678 NE2 HIS A 107 -5.340 13.424 11.776 1.00 54.43 N ATOM 0 H HIS A 107 -9.075 16.855 8.212 1.00 31.35 H new ATOM 0 HA HIS A 107 -6.722 17.363 9.799 1.00 43.22 H new ATOM 0 HB2 HIS A 107 -8.588 15.928 10.582 1.00 63.20 H new ATOM 0 HB3 HIS A 107 -8.268 14.792 9.288 1.00 63.20 H new ATOM 0 HD2 HIS A 107 -6.056 13.053 9.745 1.00 55.32 H new ATOM 0 HE1 HIS A 107 -5.192 14.446 13.646 1.00 72.11 H new ATOM 0 HE2 HIS A 107 -4.690 12.651 11.918 1.00 54.43 H new ATOM 1687 N HIS A 108 -4.882 16.604 8.289 1.00 0.53 N ATOM 1688 CA HIS A 108 -3.716 16.056 7.607 1.00 33.25 C ATOM 1689 C HIS A 108 -3.416 14.690 8.231 1.00 61.42 C ATOM 1690 O HIS A 108 -2.864 14.607 9.338 1.00 55.10 O ATOM 1691 CB HIS A 108 -2.494 17.010 7.720 1.00 3.13 C ATOM 1692 CG HIS A 108 -1.245 16.505 7.031 1.00 10.44 C ATOM 1693 ND1 HIS A 108 -0.937 16.803 5.722 1.00 62.45 N ATOM 1694 CD2 HIS A 108 -0.224 15.729 7.477 1.00 43.31 C ATOM 1695 CE1 HIS A 108 0.202 16.235 5.400 1.00 23.15 C ATOM 1696 NE2 HIS A 108 0.658 15.577 6.447 1.00 75.00 N ATOM 0 H HIS A 108 -4.672 17.412 8.875 1.00 0.53 H new ATOM 0 HA HIS A 108 -3.921 15.946 6.542 1.00 33.25 H new ATOM 0 HB2 HIS A 108 -2.763 17.978 7.296 1.00 3.13 H new ATOM 0 HB3 HIS A 108 -2.272 17.174 8.774 1.00 3.13 H new ATOM 0 HD2 HIS A 108 -0.127 15.308 8.467 1.00 43.31 H new ATOM 0 HE1 HIS A 108 0.686 16.297 4.436 1.00 23.15 H new ATOM 0 HE2 HIS A 108 1.526 15.043 6.482 1.00 75.00 H new ATOM 1705 N HIS A 109 -3.870 13.637 7.541 1.00 53.23 N ATOM 1706 CA HIS A 109 -3.672 12.246 7.948 1.00 33.13 C ATOM 1707 C HIS A 109 -2.164 11.945 7.999 1.00 60.12 C ATOM 1708 O HIS A 109 -1.479 12.036 6.981 1.00 61.04 O ATOM 1709 CB HIS A 109 -4.408 11.313 6.951 1.00 32.41 C ATOM 1710 CG HIS A 109 -4.467 9.870 7.365 1.00 73.13 C ATOM 1711 ND1 HIS A 109 -5.251 9.432 8.406 1.00 74.41 N ATOM 1712 CD2 HIS A 109 -3.851 8.766 6.875 1.00 31.25 C ATOM 1713 CE1 HIS A 109 -5.114 8.132 8.540 1.00 0.41 C ATOM 1714 NE2 HIS A 109 -4.272 7.701 7.624 1.00 51.42 N ATOM 0 H HIS A 109 -4.393 13.732 6.671 1.00 53.23 H new ATOM 0 HA HIS A 109 -4.086 12.074 8.941 1.00 33.13 H new ATOM 0 HB2 HIS A 109 -5.426 11.680 6.816 1.00 32.41 H new ATOM 0 HB3 HIS A 109 -3.914 11.378 5.982 1.00 32.41 H new ATOM 0 HD1 HIS A 109 -5.847 10.024 8.985 1.00 74.41 H new ATOM 0 HD2 HIS A 109 -3.157 8.733 6.048 1.00 31.25 H new ATOM 0 HE1 HIS A 109 -5.609 7.519 9.278 1.00 0.41 H new ATOM 1723 N HIS A 110 -1.653 11.651 9.195 1.00 2.33 N ATOM 1724 CA HIS A 110 -0.227 11.389 9.414 1.00 63.11 C ATOM 1725 C HIS A 110 -0.082 10.413 10.583 1.00 0.03 C ATOM 1726 O HIS A 110 0.018 10.822 11.745 1.00 32.52 O ATOM 1727 CB HIS A 110 0.530 12.725 9.671 1.00 33.20 C ATOM 1728 CG HIS A 110 2.031 12.597 9.735 1.00 4.44 C ATOM 1729 ND1 HIS A 110 2.810 13.242 10.665 1.00 32.23 N ATOM 1730 CD2 HIS A 110 2.892 11.926 8.937 1.00 14.44 C ATOM 1731 CE1 HIS A 110 4.078 12.967 10.439 1.00 43.41 C ATOM 1732 NE2 HIS A 110 4.158 12.169 9.393 1.00 64.22 N ATOM 0 H HIS A 110 -2.217 11.587 10.043 1.00 2.33 H new ATOM 0 HA HIS A 110 0.218 10.936 8.528 1.00 63.11 H new ATOM 0 HB2 HIS A 110 0.273 13.430 8.881 1.00 33.20 H new ATOM 0 HB3 HIS A 110 0.175 13.153 10.609 1.00 33.20 H new ATOM 0 HD2 HIS A 110 2.627 11.309 8.091 1.00 14.44 H new ATOM 0 HE1 HIS A 110 4.914 13.335 11.015 1.00 43.41 H new ATOM 0 HE2 HIS A 110 5.018 11.796 8.992 1.00 64.22 H new ATOM 1741 N HIS A 111 -0.140 9.111 10.251 1.00 54.41 N ATOM 1742 CA HIS A 111 -0.071 8.015 11.229 1.00 35.34 C ATOM 1743 C HIS A 111 1.321 7.965 11.873 1.00 64.43 C ATOM 1744 O HIS A 111 1.446 7.834 13.094 1.00 61.41 O ATOM 1745 CB HIS A 111 -0.411 6.674 10.536 1.00 14.24 C ATOM 1746 CG HIS A 111 -0.450 5.474 11.455 1.00 63.52 C ATOM 1747 ND1 HIS A 111 0.452 4.435 11.380 1.00 51.30 N ATOM 1748 CD2 HIS A 111 -1.307 5.147 12.455 1.00 14.23 C ATOM 1749 CE1 HIS A 111 0.151 3.526 12.287 1.00 20.32 C ATOM 1750 NE2 HIS A 111 -0.908 3.935 12.951 1.00 41.54 N ATOM 0 H HIS A 111 -0.237 8.789 9.288 1.00 54.41 H new ATOM 0 HA HIS A 111 -0.801 8.190 12.019 1.00 35.34 H new ATOM 0 HB2 HIS A 111 -1.380 6.770 10.047 1.00 14.24 H new ATOM 0 HB3 HIS A 111 0.324 6.490 9.753 1.00 14.24 H new ATOM 0 HD2 HIS A 111 -2.147 5.734 12.796 1.00 14.23 H new ATOM 0 HE1 HIS A 111 0.684 2.602 12.456 1.00 20.32 H new ATOM 0 HE2 HIS A 111 -1.360 3.430 13.713 1.00 41.54 H new ATOM 1759 N HIS A 112 2.358 8.080 11.028 1.00 12.13 N ATOM 1760 CA HIS A 112 3.761 8.142 11.468 1.00 43.44 C ATOM 1761 C HIS A 112 4.560 9.062 10.515 1.00 62.41 C ATOM 1762 O HIS A 112 4.453 8.888 9.279 1.00 60.41 O ATOM 1763 CB HIS A 112 4.387 6.730 11.503 1.00 42.35 C ATOM 1764 CG HIS A 112 5.766 6.696 12.118 1.00 41.33 C ATOM 1765 ND1 HIS A 112 6.909 7.028 11.424 1.00 3.55 N ATOM 1766 CD2 HIS A 112 6.177 6.376 13.367 1.00 4.15 C ATOM 1767 CE1 HIS A 112 7.950 6.915 12.217 1.00 62.22 C ATOM 1768 NE2 HIS A 112 7.536 6.519 13.398 1.00 74.40 N ATOM 1769 OXT HIS A 112 5.304 9.943 11.000 1.00 37.88 O ATOM 0 H HIS A 112 2.246 8.133 10.016 1.00 12.13 H new ATOM 0 HA HIS A 112 3.797 8.551 12.478 1.00 43.44 H new ATOM 0 HB2 HIS A 112 3.731 6.065 12.064 1.00 42.35 H new ATOM 0 HB3 HIS A 112 4.442 6.340 10.486 1.00 42.35 H new ATOM 0 HD1 HIS A 112 6.942 7.317 10.446 1.00 3.55 H new ATOM 0 HD2 HIS A 112 5.548 6.065 14.188 1.00 4.15 H new ATOM 0 HE1 HIS A 112 8.975 7.115 11.943 1.00 62.22 H new TER 1778 HIS A 112