USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=30 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 63 GLN : amide:sc= 0.0183 X(o=-0.082,f=-0.23) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.1 X(o=-0.082,f=-0.23) USER MOD Set 2.1: A 46 SER OG : rot 110:sc= -0.0739 USER MOD Set 2.2: A 50 ASN : amide:sc= -2.57! C(o=-2.6!,f=-4.5!) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= -0.279 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0.00241 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.355 X(o=-0.15,f=-0.29) USER MOD Set 4.2: A 26 TYR OH : rot 50:sc= 0.207 USER MOD Set 5.1: A 19 GLN : amide:sc= 0.383 K(o=1.5,f=-3.8!) USER MOD Set 5.2: A 23 LYS NZ :NH3+ -146:sc= 1 (180deg=0.615) USER MOD Set 5.3: A 33 THR OG1 : rot 122:sc= 0.155 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 158:sc= 0.691 (180deg=-0.0655) USER MOD Set 6.2: A 79 SER OG : rot 160:sc= 0.558 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.153 (180deg=-0.547) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0823) USER MOD Single : A 9 SER OG : rot 180:sc= -0.181 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00529 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.49) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.205 USER MOD Single : A 24 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0.034) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.0916 X(o=0.092,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -1.7 (180deg=-2.85!) USER MOD Single : A 47 MET CE :methyl -174:sc= -1.33 (180deg=-1.63) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.08 (180deg=0.556) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= 0.828 (180deg=0.691) USER MOD Single : A 59 ASN : amide:sc= -0.877 K(o=-0.88,f=-4.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.64) USER MOD Single : A 71 ASN : amide:sc= -0.043 K(o=-0.043,f=-0.55) USER MOD Single : A 74 LYS NZ :NH3+ -108:sc= -0.469 (180deg=-2.44!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= -1.11 (180deg=-2.48!) USER MOD Single : A 85 SER OG : rot -141:sc= 0.0854 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 93 GLN : amide:sc= -0.888 K(o=-0.89,f=-0.33) USER MOD Single : A 100 LYS NZ :NH3+ -138:sc= -0.112 (180deg=-2.79!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.059) USER MOD Single : A 109 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.3) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.429 14.713 0.186 1.00 13.22 N ATOM 2 CA MET A 1 1.810 15.129 -0.156 1.00 71.13 C ATOM 3 C MET A 1 2.815 14.117 0.418 1.00 31.44 C ATOM 4 O MET A 1 3.105 14.154 1.628 1.00 61.14 O ATOM 5 CB MET A 1 2.097 16.558 0.379 1.00 71.13 C ATOM 6 CG MET A 1 1.193 17.660 -0.190 1.00 51.42 C ATOM 7 SD MET A 1 1.578 19.305 0.471 1.00 72.32 S ATOM 8 CE MET A 1 1.327 19.074 2.231 1.00 74.24 C ATOM 0 H1 MET A 1 -0.251 15.331 -0.302 1.00 13.22 H new ATOM 0 H2 MET A 1 0.279 13.728 -0.114 1.00 13.22 H new ATOM 0 H3 MET A 1 0.289 14.787 1.214 1.00 13.22 H new ATOM 0 HA MET A 1 1.916 15.150 -1.241 1.00 71.13 H new ATOM 0 HB2 MET A 1 1.995 16.550 1.464 1.00 71.13 H new ATOM 0 HB3 MET A 1 3.134 16.810 0.158 1.00 71.13 H new ATOM 0 HG2 MET A 1 1.291 17.679 -1.275 1.00 51.42 H new ATOM 0 HG3 MET A 1 0.153 17.420 0.032 1.00 51.42 H new ATOM 0 HE1 MET A 1 1.213 20.045 2.713 1.00 74.24 H new ATOM 0 HE2 MET A 1 0.428 18.480 2.395 1.00 74.24 H new ATOM 0 HE3 MET A 1 2.187 18.556 2.656 1.00 74.24 H new ATOM 20 N GLY A 2 3.307 13.198 -0.445 1.00 35.13 N ATOM 21 CA GLY A 2 4.276 12.173 -0.039 1.00 63.22 C ATOM 22 C GLY A 2 3.742 11.274 1.076 1.00 52.10 C ATOM 23 O GLY A 2 4.414 11.048 2.082 1.00 75.44 O ATOM 0 H GLY A 2 3.043 13.152 -1.429 1.00 35.13 H new ATOM 0 HA2 GLY A 2 4.536 11.561 -0.902 1.00 63.22 H new ATOM 0 HA3 GLY A 2 5.193 12.657 0.296 1.00 63.22 H new ATOM 27 N LYS A 3 2.518 10.774 0.881 1.00 52.30 N ATOM 28 CA LYS A 3 1.785 9.996 1.897 1.00 41.43 C ATOM 29 C LYS A 3 1.295 8.689 1.269 1.00 74.23 C ATOM 30 O LYS A 3 0.867 8.676 0.110 1.00 1.01 O ATOM 31 CB LYS A 3 0.606 10.843 2.455 1.00 42.11 C ATOM 32 CG LYS A 3 -0.168 10.176 3.620 1.00 13.15 C ATOM 33 CD LYS A 3 -1.122 11.144 4.353 1.00 51.44 C ATOM 34 CE LYS A 3 -1.834 10.491 5.549 1.00 32.32 C ATOM 35 NZ LYS A 3 -0.867 9.822 6.469 1.00 52.03 N ATOM 0 H LYS A 3 2.001 10.896 0.010 1.00 52.30 H new ATOM 0 HA LYS A 3 2.441 9.750 2.732 1.00 41.43 H new ATOM 0 HB2 LYS A 3 0.994 11.803 2.796 1.00 42.11 H new ATOM 0 HB3 LYS A 3 -0.092 11.051 1.644 1.00 42.11 H new ATOM 0 HG2 LYS A 3 -0.743 9.336 3.231 1.00 13.15 H new ATOM 0 HG3 LYS A 3 0.546 9.769 4.336 1.00 13.15 H new ATOM 0 HD2 LYS A 3 -0.557 12.009 4.701 1.00 51.44 H new ATOM 0 HD3 LYS A 3 -1.868 11.513 3.649 1.00 51.44 H new ATOM 0 HE2 LYS A 3 -2.393 11.249 6.097 1.00 32.32 H new ATOM 0 HE3 LYS A 3 -2.557 9.760 5.187 1.00 32.32 H new ATOM 0 HZ1 LYS A 3 -1.295 9.725 7.412 1.00 52.03 H new ATOM 0 HZ2 LYS A 3 -0.630 8.880 6.098 1.00 52.03 H new ATOM 0 HZ3 LYS A 3 -0.002 10.395 6.539 1.00 52.03 H new ATOM 49 N VAL A 4 1.353 7.586 2.021 1.00 63.32 N ATOM 50 CA VAL A 4 1.084 6.248 1.482 1.00 13.04 C ATOM 51 C VAL A 4 0.286 5.404 2.482 1.00 31.44 C ATOM 52 O VAL A 4 0.446 5.549 3.695 1.00 12.51 O ATOM 53 CB VAL A 4 2.421 5.530 1.078 1.00 5.31 C ATOM 54 CG1 VAL A 4 3.300 5.189 2.286 1.00 62.43 C ATOM 55 CG2 VAL A 4 2.160 4.299 0.199 1.00 72.34 C ATOM 0 H VAL A 4 1.586 7.594 3.014 1.00 63.32 H new ATOM 0 HA VAL A 4 0.478 6.361 0.583 1.00 13.04 H new ATOM 0 HB VAL A 4 2.986 6.246 0.481 1.00 5.31 H new ATOM 0 HG11 VAL A 4 4.210 4.695 1.946 1.00 62.43 H new ATOM 0 HG12 VAL A 4 3.561 6.105 2.816 1.00 62.43 H new ATOM 0 HG13 VAL A 4 2.755 4.525 2.957 1.00 62.43 H new ATOM 0 HG21 VAL A 4 3.109 3.829 -0.060 1.00 72.34 H new ATOM 0 HG22 VAL A 4 1.540 3.588 0.744 1.00 72.34 H new ATOM 0 HG23 VAL A 4 1.646 4.605 -0.712 1.00 72.34 H new ATOM 65 N LEU A 5 -0.603 4.542 1.959 1.00 14.31 N ATOM 66 CA LEU A 5 -1.375 3.587 2.762 1.00 11.15 C ATOM 67 C LEU A 5 -0.777 2.186 2.567 1.00 22.24 C ATOM 68 O LEU A 5 -0.962 1.562 1.517 1.00 52.31 O ATOM 69 CB LEU A 5 -2.877 3.615 2.354 1.00 21.55 C ATOM 70 CG LEU A 5 -3.827 2.647 3.140 1.00 4.34 C ATOM 71 CD1 LEU A 5 -3.794 2.919 4.659 1.00 72.01 C ATOM 72 CD2 LEU A 5 -5.276 2.706 2.592 1.00 74.32 C ATOM 0 H LEU A 5 -0.805 4.491 0.961 1.00 14.31 H new ATOM 0 HA LEU A 5 -1.320 3.861 3.816 1.00 11.15 H new ATOM 0 HB2 LEU A 5 -3.247 4.633 2.478 1.00 21.55 H new ATOM 0 HB3 LEU A 5 -2.948 3.377 1.293 1.00 21.55 H new ATOM 0 HG LEU A 5 -3.453 1.635 2.983 1.00 4.34 H new ATOM 0 HD11 LEU A 5 -4.466 2.227 5.167 1.00 72.01 H new ATOM 0 HD12 LEU A 5 -2.779 2.779 5.032 1.00 72.01 H new ATOM 0 HD13 LEU A 5 -4.114 3.943 4.852 1.00 72.01 H new ATOM 0 HD21 LEU A 5 -5.908 2.023 3.160 1.00 74.32 H new ATOM 0 HD22 LEU A 5 -5.661 3.721 2.689 1.00 74.32 H new ATOM 0 HD23 LEU A 5 -5.280 2.416 1.541 1.00 74.32 H new ATOM 84 N LEU A 6 -0.013 1.734 3.567 1.00 1.01 N ATOM 85 CA LEU A 6 0.554 0.377 3.611 1.00 44.42 C ATOM 86 C LEU A 6 -0.563 -0.633 3.963 1.00 22.34 C ATOM 87 O LEU A 6 -0.884 -0.836 5.136 1.00 54.34 O ATOM 88 CB LEU A 6 1.719 0.337 4.658 1.00 54.42 C ATOM 89 CG LEU A 6 2.379 -1.051 4.954 1.00 11.23 C ATOM 90 CD1 LEU A 6 3.006 -1.676 3.697 1.00 63.43 C ATOM 91 CD2 LEU A 6 3.420 -0.937 6.099 1.00 3.34 C ATOM 0 H LEU A 6 0.233 2.303 4.377 1.00 1.01 H new ATOM 0 HA LEU A 6 0.963 0.103 2.638 1.00 44.42 H new ATOM 0 HB2 LEU A 6 2.501 1.015 4.317 1.00 54.42 H new ATOM 0 HB3 LEU A 6 1.339 0.736 5.599 1.00 54.42 H new ATOM 0 HG LEU A 6 1.584 -1.721 5.279 1.00 11.23 H new ATOM 0 HD11 LEU A 6 3.451 -2.638 3.952 1.00 63.43 H new ATOM 0 HD12 LEU A 6 2.235 -1.822 2.940 1.00 63.43 H new ATOM 0 HD13 LEU A 6 3.777 -1.012 3.306 1.00 63.43 H new ATOM 0 HD21 LEU A 6 3.864 -1.915 6.286 1.00 3.34 H new ATOM 0 HD22 LEU A 6 4.201 -0.232 5.812 1.00 3.34 H new ATOM 0 HD23 LEU A 6 2.927 -0.584 7.005 1.00 3.34 H new ATOM 103 N VAL A 7 -1.184 -1.207 2.925 1.00 42.31 N ATOM 104 CA VAL A 7 -2.191 -2.274 3.063 1.00 65.45 C ATOM 105 C VAL A 7 -1.487 -3.635 3.210 1.00 14.21 C ATOM 106 O VAL A 7 -0.914 -4.160 2.247 1.00 1.04 O ATOM 107 CB VAL A 7 -3.185 -2.303 1.833 1.00 1.34 C ATOM 108 CG1 VAL A 7 -4.159 -3.503 1.907 1.00 73.52 C ATOM 109 CG2 VAL A 7 -3.952 -0.972 1.723 1.00 54.22 C ATOM 0 H VAL A 7 -1.002 -0.944 1.956 1.00 42.31 H new ATOM 0 HA VAL A 7 -2.781 -2.069 3.956 1.00 65.45 H new ATOM 0 HB VAL A 7 -2.588 -2.431 0.930 1.00 1.34 H new ATOM 0 HG11 VAL A 7 -4.824 -3.485 1.044 1.00 73.52 H new ATOM 0 HG12 VAL A 7 -3.591 -4.433 1.909 1.00 73.52 H new ATOM 0 HG13 VAL A 7 -4.749 -3.437 2.821 1.00 73.52 H new ATOM 0 HG21 VAL A 7 -4.630 -1.012 0.871 1.00 54.22 H new ATOM 0 HG22 VAL A 7 -4.525 -0.806 2.635 1.00 54.22 H new ATOM 0 HG23 VAL A 7 -3.244 -0.155 1.585 1.00 54.22 H new ATOM 119 N ILE A 8 -1.516 -4.177 4.434 1.00 0.42 N ATOM 120 CA ILE A 8 -1.003 -5.515 4.760 1.00 13.33 C ATOM 121 C ILE A 8 -2.192 -6.470 4.949 1.00 15.40 C ATOM 122 O ILE A 8 -3.183 -6.109 5.604 1.00 54.42 O ATOM 123 CB ILE A 8 -0.124 -5.504 6.073 1.00 51.42 C ATOM 124 CG1 ILE A 8 1.005 -4.438 5.970 1.00 42.55 C ATOM 125 CG2 ILE A 8 0.467 -6.910 6.380 1.00 31.41 C ATOM 126 CD1 ILE A 8 1.875 -4.308 7.203 1.00 12.31 C ATOM 0 H ILE A 8 -1.904 -3.689 5.241 1.00 0.42 H new ATOM 0 HA ILE A 8 -0.368 -5.847 3.939 1.00 13.33 H new ATOM 0 HB ILE A 8 -0.776 -5.236 6.904 1.00 51.42 H new ATOM 0 HG12 ILE A 8 1.640 -4.684 5.119 1.00 42.55 H new ATOM 0 HG13 ILE A 8 0.552 -3.469 5.759 1.00 42.55 H new ATOM 0 HG21 ILE A 8 1.065 -6.862 7.290 1.00 31.41 H new ATOM 0 HG22 ILE A 8 -0.345 -7.624 6.517 1.00 31.41 H new ATOM 0 HG23 ILE A 8 1.096 -7.230 5.549 1.00 31.41 H new ATOM 0 HD11 ILE A 8 2.632 -3.542 7.035 1.00 12.31 H new ATOM 0 HD12 ILE A 8 1.257 -4.028 8.056 1.00 12.31 H new ATOM 0 HD13 ILE A 8 2.363 -5.261 7.406 1.00 12.31 H new ATOM 138 N SER A 9 -2.088 -7.666 4.363 1.00 0.11 N ATOM 139 CA SER A 9 -3.054 -8.751 4.553 1.00 2.23 C ATOM 140 C SER A 9 -2.374 -10.083 4.217 1.00 73.02 C ATOM 141 O SER A 9 -1.385 -10.115 3.464 1.00 65.11 O ATOM 142 CB SER A 9 -4.307 -8.535 3.665 1.00 54.01 C ATOM 143 OG SER A 9 -5.271 -9.565 3.836 1.00 52.31 O ATOM 0 H SER A 9 -1.322 -7.911 3.736 1.00 0.11 H new ATOM 0 HA SER A 9 -3.386 -8.763 5.591 1.00 2.23 H new ATOM 0 HB2 SER A 9 -4.759 -7.573 3.906 1.00 54.01 H new ATOM 0 HB3 SER A 9 -4.005 -8.492 2.618 1.00 54.01 H new ATOM 0 HG SER A 9 -6.044 -9.389 3.260 1.00 52.31 H new ATOM 149 N THR A 10 -2.905 -11.165 4.783 1.00 11.34 N ATOM 150 CA THR A 10 -2.399 -12.520 4.552 1.00 61.03 C ATOM 151 C THR A 10 -2.911 -13.064 3.213 1.00 12.11 C ATOM 152 O THR A 10 -2.160 -13.680 2.447 1.00 2.35 O ATOM 153 CB THR A 10 -2.827 -13.459 5.729 1.00 24.30 C ATOM 154 OG1 THR A 10 -4.243 -13.360 5.951 1.00 21.24 O ATOM 155 CG2 THR A 10 -2.094 -13.108 7.026 1.00 45.11 C ATOM 0 H THR A 10 -3.702 -11.128 5.418 1.00 11.34 H new ATOM 0 HA THR A 10 -1.310 -12.486 4.510 1.00 61.03 H new ATOM 0 HB THR A 10 -2.562 -14.478 5.445 1.00 24.30 H new ATOM 0 HG1 THR A 10 -4.501 -13.952 6.688 1.00 21.24 H new ATOM 0 HG21 THR A 10 -2.417 -13.781 7.820 1.00 45.11 H new ATOM 0 HG22 THR A 10 -1.019 -13.213 6.876 1.00 45.11 H new ATOM 0 HG23 THR A 10 -2.323 -12.080 7.306 1.00 45.11 H new ATOM 163 N ASP A 11 -4.192 -12.797 2.937 1.00 61.10 N ATOM 164 CA ASP A 11 -4.890 -13.291 1.746 1.00 30.14 C ATOM 165 C ASP A 11 -4.537 -12.417 0.537 1.00 1.32 C ATOM 166 O ASP A 11 -5.106 -11.331 0.369 1.00 5.32 O ATOM 167 CB ASP A 11 -6.418 -13.277 1.971 1.00 21.51 C ATOM 168 CG ASP A 11 -6.831 -14.042 3.225 1.00 31.20 C ATOM 169 OD1 ASP A 11 -6.816 -13.443 4.320 1.00 2.22 O ATOM 170 OD2 ASP A 11 -7.150 -15.248 3.134 1.00 71.43 O ATOM 0 H ASP A 11 -4.780 -12.224 3.542 1.00 61.10 H new ATOM 0 HA ASP A 11 -4.573 -14.317 1.556 1.00 30.14 H new ATOM 0 HB2 ASP A 11 -6.761 -12.245 2.049 1.00 21.51 H new ATOM 0 HB3 ASP A 11 -6.914 -13.713 1.104 1.00 21.51 H new ATOM 175 N THR A 12 -3.591 -12.898 -0.284 1.00 73.22 N ATOM 176 CA THR A 12 -3.182 -12.253 -1.553 1.00 11.51 C ATOM 177 C THR A 12 -4.360 -12.184 -2.545 1.00 64.43 C ATOM 178 O THR A 12 -4.405 -11.315 -3.422 1.00 35.03 O ATOM 179 CB THR A 12 -1.977 -13.026 -2.186 1.00 54.11 C ATOM 180 OG1 THR A 12 -2.359 -14.389 -2.463 1.00 43.33 O ATOM 181 CG2 THR A 12 -0.753 -13.036 -1.246 1.00 51.41 C ATOM 0 H THR A 12 -3.078 -13.758 -0.087 1.00 73.22 H new ATOM 0 HA THR A 12 -2.870 -11.232 -1.332 1.00 11.51 H new ATOM 0 HB THR A 12 -1.706 -12.512 -3.108 1.00 54.11 H new ATOM 0 HG1 THR A 12 -1.601 -14.867 -2.860 1.00 43.33 H new ATOM 0 HG21 THR A 12 0.064 -13.581 -1.718 1.00 51.41 H new ATOM 0 HG22 THR A 12 -0.438 -12.011 -1.047 1.00 51.41 H new ATOM 0 HG23 THR A 12 -1.019 -13.522 -0.307 1.00 51.41 H new ATOM 189 N ASN A 13 -5.303 -13.116 -2.364 1.00 74.12 N ATOM 190 CA ASN A 13 -6.575 -13.183 -3.113 1.00 63.01 C ATOM 191 C ASN A 13 -7.417 -11.918 -2.876 1.00 72.31 C ATOM 192 O ASN A 13 -7.868 -11.275 -3.826 1.00 62.11 O ATOM 193 CB ASN A 13 -7.385 -14.435 -2.677 1.00 32.34 C ATOM 194 CG ASN A 13 -6.558 -15.722 -2.737 1.00 45.20 C ATOM 195 OD1 ASN A 13 -5.882 -16.071 -1.768 1.00 61.01 O ATOM 196 ND2 ASN A 13 -6.583 -16.422 -3.866 1.00 15.12 N ATOM 0 H ASN A 13 -5.206 -13.865 -1.678 1.00 74.12 H new ATOM 0 HA ASN A 13 -6.340 -13.253 -4.175 1.00 63.01 H new ATOM 0 HB2 ASN A 13 -7.751 -14.290 -1.661 1.00 32.34 H new ATOM 0 HB3 ASN A 13 -8.259 -14.539 -3.319 1.00 32.34 H new ATOM 0 HD21 ASN A 13 -6.032 -17.276 -3.949 1.00 15.12 H new ATOM 0 HD22 ASN A 13 -7.154 -16.105 -4.650 1.00 15.12 H new ATOM 203 N ILE A 14 -7.593 -11.572 -1.584 1.00 21.42 N ATOM 204 CA ILE A 14 -8.373 -10.393 -1.146 1.00 63.24 C ATOM 205 C ILE A 14 -7.668 -9.091 -1.572 1.00 30.20 C ATOM 206 O ILE A 14 -8.306 -8.180 -2.104 1.00 14.41 O ATOM 207 CB ILE A 14 -8.595 -10.422 0.420 1.00 13.32 C ATOM 208 CG1 ILE A 14 -9.485 -11.639 0.841 1.00 10.00 C ATOM 209 CG2 ILE A 14 -9.182 -9.097 0.957 1.00 21.34 C ATOM 210 CD1 ILE A 14 -10.887 -11.670 0.233 1.00 3.34 C ATOM 0 H ILE A 14 -7.196 -12.105 -0.810 1.00 21.42 H new ATOM 0 HA ILE A 14 -9.350 -10.428 -1.629 1.00 63.24 H new ATOM 0 HB ILE A 14 -7.612 -10.542 0.875 1.00 13.32 H new ATOM 0 HG12 ILE A 14 -8.968 -12.558 0.565 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -9.579 -11.640 1.927 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -9.315 -9.169 2.036 1.00 21.34 H new ATOM 0 HG22 ILE A 14 -8.500 -8.278 0.729 1.00 21.34 H new ATOM 0 HG23 ILE A 14 -10.146 -8.908 0.484 1.00 21.34 H new ATOM 0 HD11 ILE A 14 -11.419 -12.552 0.589 1.00 3.34 H new ATOM 0 HD12 ILE A 14 -11.432 -10.774 0.529 1.00 3.34 H new ATOM 0 HD13 ILE A 14 -10.812 -11.706 -0.854 1.00 3.34 H new ATOM 222 N ILE A 15 -6.348 -9.047 -1.333 1.00 55.32 N ATOM 223 CA ILE A 15 -5.450 -7.941 -1.737 1.00 62.34 C ATOM 224 C ILE A 15 -5.652 -7.564 -3.226 1.00 50.40 C ATOM 225 O ILE A 15 -5.957 -6.405 -3.560 1.00 15.12 O ATOM 226 CB ILE A 15 -3.955 -8.377 -1.465 1.00 51.14 C ATOM 227 CG1 ILE A 15 -3.684 -8.448 0.068 1.00 55.53 C ATOM 228 CG2 ILE A 15 -2.932 -7.470 -2.171 1.00 3.24 C ATOM 229 CD1 ILE A 15 -2.313 -8.968 0.443 1.00 63.34 C ATOM 0 H ILE A 15 -5.859 -9.795 -0.842 1.00 55.32 H new ATOM 0 HA ILE A 15 -5.688 -7.054 -1.150 1.00 62.34 H new ATOM 0 HB ILE A 15 -3.825 -9.371 -1.893 1.00 51.14 H new ATOM 0 HG12 ILE A 15 -3.808 -7.452 0.492 1.00 55.53 H new ATOM 0 HG13 ILE A 15 -4.438 -9.087 0.528 1.00 55.53 H new ATOM 0 HG21 ILE A 15 -1.923 -7.817 -1.948 1.00 3.24 H new ATOM 0 HG22 ILE A 15 -3.098 -7.504 -3.248 1.00 3.24 H new ATOM 0 HG23 ILE A 15 -3.049 -6.445 -1.818 1.00 3.24 H new ATOM 0 HD11 ILE A 15 -2.214 -8.983 1.528 1.00 63.34 H new ATOM 0 HD12 ILE A 15 -2.188 -9.978 0.054 1.00 63.34 H new ATOM 0 HD13 ILE A 15 -1.548 -8.318 0.017 1.00 63.34 H new ATOM 241 N SER A 16 -5.537 -8.589 -4.086 1.00 14.14 N ATOM 242 CA SER A 16 -5.645 -8.459 -5.544 1.00 22.52 C ATOM 243 C SER A 16 -7.059 -8.016 -5.957 1.00 65.43 C ATOM 244 O SER A 16 -7.220 -7.089 -6.755 1.00 54.31 O ATOM 245 CB SER A 16 -5.275 -9.809 -6.208 1.00 12.42 C ATOM 246 OG SER A 16 -5.293 -9.718 -7.618 1.00 65.23 O ATOM 0 H SER A 16 -5.363 -9.546 -3.780 1.00 14.14 H new ATOM 0 HA SER A 16 -4.951 -7.690 -5.883 1.00 22.52 H new ATOM 0 HB2 SER A 16 -4.284 -10.119 -5.876 1.00 12.42 H new ATOM 0 HB3 SER A 16 -5.975 -10.579 -5.884 1.00 12.42 H new ATOM 0 HG SER A 16 -5.054 -10.586 -8.005 1.00 65.23 H new ATOM 252 N SER A 17 -8.064 -8.664 -5.355 1.00 62.24 N ATOM 253 CA SER A 17 -9.485 -8.424 -5.653 1.00 51.31 C ATOM 254 C SER A 17 -9.869 -6.948 -5.419 1.00 21.12 C ATOM 255 O SER A 17 -10.301 -6.259 -6.347 1.00 22.54 O ATOM 256 CB SER A 17 -10.354 -9.364 -4.792 1.00 25.20 C ATOM 257 OG SER A 17 -11.730 -9.223 -5.094 1.00 31.20 O ATOM 0 H SER A 17 -7.914 -9.376 -4.641 1.00 62.24 H new ATOM 0 HA SER A 17 -9.662 -8.637 -6.707 1.00 51.31 H new ATOM 0 HB2 SER A 17 -10.048 -10.397 -4.958 1.00 25.20 H new ATOM 0 HB3 SER A 17 -10.189 -9.148 -3.736 1.00 25.20 H new ATOM 0 HG SER A 17 -12.252 -9.833 -4.533 1.00 31.20 H new ATOM 263 N VAL A 18 -9.636 -6.474 -4.180 1.00 2.23 N ATOM 264 CA VAL A 18 -9.912 -5.087 -3.749 1.00 74.51 C ATOM 265 C VAL A 18 -9.208 -4.067 -4.651 1.00 72.33 C ATOM 266 O VAL A 18 -9.828 -3.095 -5.100 1.00 71.15 O ATOM 267 CB VAL A 18 -9.442 -4.873 -2.259 1.00 13.11 C ATOM 268 CG1 VAL A 18 -9.517 -3.389 -1.835 1.00 31.22 C ATOM 269 CG2 VAL A 18 -10.260 -5.765 -1.306 1.00 22.13 C ATOM 0 H VAL A 18 -9.244 -7.053 -3.437 1.00 2.23 H new ATOM 0 HA VAL A 18 -10.988 -4.931 -3.823 1.00 74.51 H new ATOM 0 HB VAL A 18 -8.394 -5.166 -2.197 1.00 13.11 H new ATOM 0 HG11 VAL A 18 -9.184 -3.288 -0.802 1.00 31.22 H new ATOM 0 HG12 VAL A 18 -8.875 -2.793 -2.483 1.00 31.22 H new ATOM 0 HG13 VAL A 18 -10.545 -3.038 -1.921 1.00 31.22 H new ATOM 0 HG21 VAL A 18 -9.924 -5.606 -0.281 1.00 22.13 H new ATOM 0 HG22 VAL A 18 -11.317 -5.509 -1.385 1.00 22.13 H new ATOM 0 HG23 VAL A 18 -10.119 -6.812 -1.576 1.00 22.13 H new ATOM 279 N GLN A 19 -7.921 -4.327 -4.911 1.00 54.31 N ATOM 280 CA GLN A 19 -7.052 -3.423 -5.673 1.00 1.41 C ATOM 281 C GLN A 19 -7.600 -3.144 -7.085 1.00 70.11 C ATOM 282 O GLN A 19 -7.689 -1.986 -7.504 1.00 23.14 O ATOM 283 CB GLN A 19 -5.641 -4.029 -5.752 1.00 40.15 C ATOM 284 CG GLN A 19 -4.599 -3.126 -6.419 1.00 51.45 C ATOM 285 CD GLN A 19 -3.213 -3.755 -6.534 1.00 4.03 C ATOM 286 OE1 GLN A 19 -2.478 -3.463 -7.477 1.00 75.33 O ATOM 287 NE2 GLN A 19 -2.832 -4.606 -5.577 1.00 32.43 N ATOM 0 H GLN A 19 -7.451 -5.176 -4.597 1.00 54.31 H new ATOM 0 HA GLN A 19 -7.017 -2.465 -5.154 1.00 1.41 H new ATOM 0 HB2 GLN A 19 -5.304 -4.267 -4.743 1.00 40.15 H new ATOM 0 HB3 GLN A 19 -5.693 -4.969 -6.301 1.00 40.15 H new ATOM 0 HG2 GLN A 19 -4.949 -2.860 -7.416 1.00 51.45 H new ATOM 0 HG3 GLN A 19 -4.520 -2.199 -5.851 1.00 51.45 H new ATOM 0 HE21 GLN A 19 -3.466 -4.827 -4.809 1.00 32.43 H new ATOM 0 HE22 GLN A 19 -1.907 -5.035 -5.615 1.00 32.43 H new ATOM 296 N GLU A 20 -7.997 -4.213 -7.787 1.00 45.41 N ATOM 297 CA GLU A 20 -8.500 -4.116 -9.169 1.00 23.42 C ATOM 298 C GLU A 20 -9.856 -3.398 -9.223 1.00 62.04 C ATOM 299 O GLU A 20 -10.100 -2.592 -10.124 1.00 13.31 O ATOM 300 CB GLU A 20 -8.591 -5.521 -9.809 1.00 61.12 C ATOM 301 CG GLU A 20 -7.257 -6.289 -9.846 1.00 44.44 C ATOM 302 CD GLU A 20 -6.106 -5.480 -10.470 1.00 41.20 C ATOM 303 OE1 GLU A 20 -6.051 -5.372 -11.710 1.00 4.13 O ATOM 304 OE2 GLU A 20 -5.253 -4.942 -9.723 1.00 22.44 O ATOM 0 H GLU A 20 -7.980 -5.164 -7.419 1.00 45.41 H new ATOM 0 HA GLU A 20 -7.792 -3.519 -9.745 1.00 23.42 H new ATOM 0 HB2 GLU A 20 -9.322 -6.112 -9.257 1.00 61.12 H new ATOM 0 HB3 GLU A 20 -8.967 -5.420 -10.827 1.00 61.12 H new ATOM 0 HG2 GLU A 20 -6.982 -6.575 -8.831 1.00 44.44 H new ATOM 0 HG3 GLU A 20 -7.392 -7.211 -10.411 1.00 44.44 H new ATOM 311 N ARG A 21 -10.713 -3.677 -8.232 1.00 43.24 N ATOM 312 CA ARG A 21 -12.029 -3.015 -8.092 1.00 12.43 C ATOM 313 C ARG A 21 -11.852 -1.511 -7.827 1.00 64.02 C ATOM 314 O ARG A 21 -12.637 -0.693 -8.303 1.00 74.20 O ATOM 315 CB ARG A 21 -12.837 -3.678 -6.945 1.00 3.54 C ATOM 316 CG ARG A 21 -13.070 -5.189 -7.148 1.00 4.20 C ATOM 317 CD ARG A 21 -13.729 -5.891 -5.939 1.00 41.04 C ATOM 318 NE ARG A 21 -13.651 -7.364 -6.069 1.00 3.02 N ATOM 319 CZ ARG A 21 -14.657 -8.243 -5.886 1.00 21.43 C ATOM 320 NH1 ARG A 21 -15.882 -7.832 -5.563 1.00 63.33 N ATOM 321 NH2 ARG A 21 -14.413 -9.542 -6.028 1.00 23.32 N ATOM 0 H ARG A 21 -10.520 -4.365 -7.504 1.00 43.24 H new ATOM 0 HA ARG A 21 -12.581 -3.133 -9.024 1.00 12.43 H new ATOM 0 HB2 ARG A 21 -12.310 -3.523 -6.004 1.00 3.54 H new ATOM 0 HB3 ARG A 21 -13.802 -3.179 -6.856 1.00 3.54 H new ATOM 0 HG2 ARG A 21 -13.699 -5.335 -8.027 1.00 4.20 H new ATOM 0 HG3 ARG A 21 -12.114 -5.669 -7.357 1.00 4.20 H new ATOM 0 HD2 ARG A 21 -13.235 -5.578 -5.019 1.00 41.04 H new ATOM 0 HD3 ARG A 21 -14.772 -5.585 -5.861 1.00 41.04 H new ATOM 0 HE ARG A 21 -12.743 -7.754 -6.323 1.00 3.02 H new ATOM 0 HH11 ARG A 21 -16.073 -6.836 -5.450 1.00 63.33 H new ATOM 0 HH12 ARG A 21 -16.630 -8.513 -5.429 1.00 63.33 H new ATOM 0 HH21 ARG A 21 -13.475 -9.861 -6.272 1.00 23.32 H new ATOM 0 HH22 ARG A 21 -15.163 -10.220 -5.893 1.00 23.32 H new ATOM 335 N ALA A 22 -10.781 -1.170 -7.089 1.00 22.53 N ATOM 336 CA ALA A 22 -10.427 0.220 -6.764 1.00 74.52 C ATOM 337 C ALA A 22 -9.817 0.941 -7.988 1.00 12.23 C ATOM 338 O ALA A 22 -9.948 2.149 -8.124 1.00 5.22 O ATOM 339 CB ALA A 22 -9.465 0.253 -5.566 1.00 5.42 C ATOM 0 H ALA A 22 -10.134 -1.856 -6.700 1.00 22.53 H new ATOM 0 HA ALA A 22 -11.337 0.754 -6.492 1.00 74.52 H new ATOM 0 HB1 ALA A 22 -9.209 1.287 -5.333 1.00 5.42 H new ATOM 0 HB2 ALA A 22 -9.945 -0.205 -4.701 1.00 5.42 H new ATOM 0 HB3 ALA A 22 -8.558 -0.299 -5.812 1.00 5.42 H new ATOM 345 N LYS A 23 -9.142 0.182 -8.867 1.00 23.20 N ATOM 346 CA LYS A 23 -8.589 0.716 -10.135 1.00 72.21 C ATOM 347 C LYS A 23 -9.716 1.018 -11.143 1.00 1.52 C ATOM 348 O LYS A 23 -9.719 2.071 -11.793 1.00 32.15 O ATOM 349 CB LYS A 23 -7.569 -0.284 -10.749 1.00 3.21 C ATOM 350 CG LYS A 23 -6.268 -0.447 -9.934 1.00 44.22 C ATOM 351 CD LYS A 23 -5.331 -1.528 -10.517 1.00 44.23 C ATOM 352 CE LYS A 23 -3.993 -1.628 -9.767 1.00 53.02 C ATOM 353 NZ LYS A 23 -3.207 -2.828 -10.186 1.00 73.21 N ATOM 0 H LYS A 23 -8.962 -0.812 -8.726 1.00 23.20 H new ATOM 0 HA LYS A 23 -8.072 1.649 -9.911 1.00 72.21 H new ATOM 0 HB2 LYS A 23 -8.047 -1.259 -10.846 1.00 3.21 H new ATOM 0 HB3 LYS A 23 -7.314 0.048 -11.756 1.00 3.21 H new ATOM 0 HG2 LYS A 23 -5.741 0.507 -9.904 1.00 44.22 H new ATOM 0 HG3 LYS A 23 -6.519 -0.706 -8.905 1.00 44.22 H new ATOM 0 HD2 LYS A 23 -5.834 -2.494 -10.483 1.00 44.23 H new ATOM 0 HD3 LYS A 23 -5.138 -1.306 -11.567 1.00 44.23 H new ATOM 0 HE2 LYS A 23 -3.406 -0.728 -9.950 1.00 53.02 H new ATOM 0 HE3 LYS A 23 -4.181 -1.674 -8.694 1.00 53.02 H new ATOM 0 HZ1 LYS A 23 -2.676 -3.197 -9.371 1.00 73.21 H new ATOM 0 HZ2 LYS A 23 -3.855 -3.561 -10.538 1.00 73.21 H new ATOM 0 HZ3 LYS A 23 -2.542 -2.562 -10.940 1.00 73.21 H new ATOM 367 N HIS A 24 -10.675 0.085 -11.262 1.00 44.41 N ATOM 368 CA HIS A 24 -11.798 0.204 -12.216 1.00 73.10 C ATOM 369 C HIS A 24 -12.882 1.156 -11.696 1.00 73.13 C ATOM 370 O HIS A 24 -13.685 1.651 -12.484 1.00 2.40 O ATOM 371 CB HIS A 24 -12.399 -1.191 -12.547 1.00 73.52 C ATOM 372 CG HIS A 24 -11.475 -2.083 -13.345 1.00 2.44 C ATOM 373 ND1 HIS A 24 -11.182 -1.861 -14.677 1.00 75.31 N ATOM 374 CD2 HIS A 24 -10.763 -3.181 -12.995 1.00 34.30 C ATOM 375 CE1 HIS A 24 -10.339 -2.777 -15.102 1.00 41.21 C ATOM 376 NE2 HIS A 24 -10.069 -3.588 -14.105 1.00 22.42 N ATOM 0 H HIS A 24 -10.697 -0.769 -10.705 1.00 44.41 H new ATOM 0 HA HIS A 24 -11.400 0.630 -13.137 1.00 73.10 H new ATOM 0 HB2 HIS A 24 -12.659 -1.694 -11.616 1.00 73.52 H new ATOM 0 HB3 HIS A 24 -13.326 -1.053 -13.104 1.00 73.52 H new ATOM 0 HD2 HIS A 24 -10.745 -3.649 -12.022 1.00 34.30 H new ATOM 0 HE1 HIS A 24 -9.937 -2.850 -16.102 1.00 41.21 H new ATOM 0 HE2 HIS A 24 -9.443 -4.392 -14.149 1.00 22.42 H new ATOM 385 N ASN A 25 -12.918 1.391 -10.373 1.00 52.54 N ATOM 386 CA ASN A 25 -13.845 2.374 -9.767 1.00 1.42 C ATOM 387 C ASN A 25 -13.221 3.783 -9.780 1.00 4.24 C ATOM 388 O ASN A 25 -13.920 4.770 -10.010 1.00 40.15 O ATOM 389 CB ASN A 25 -14.246 1.954 -8.320 1.00 0.32 C ATOM 390 CG ASN A 25 -15.390 2.786 -7.720 1.00 63.24 C ATOM 391 OD1 ASN A 25 -16.225 3.337 -8.433 1.00 61.32 O ATOM 392 ND2 ASN A 25 -15.464 2.843 -6.406 1.00 65.05 N ATOM 0 H ASN A 25 -12.317 0.916 -9.699 1.00 52.54 H new ATOM 0 HA ASN A 25 -14.755 2.396 -10.367 1.00 1.42 H new ATOM 0 HB2 ASN A 25 -14.539 0.904 -8.326 1.00 0.32 H new ATOM 0 HB3 ASN A 25 -13.372 2.038 -7.674 1.00 0.32 H new ATOM 0 HD21 ASN A 25 -16.227 3.353 -5.960 1.00 65.05 H new ATOM 0 HD22 ASN A 25 -14.759 2.377 -5.835 1.00 65.05 H new ATOM 399 N TYR A 26 -11.902 3.867 -9.521 1.00 53.41 N ATOM 400 CA TYR A 26 -11.158 5.156 -9.487 1.00 51.12 C ATOM 401 C TYR A 26 -10.131 5.191 -10.650 1.00 74.13 C ATOM 402 O TYR A 26 -8.987 4.742 -10.490 1.00 44.52 O ATOM 403 CB TYR A 26 -10.483 5.353 -8.091 1.00 0.41 C ATOM 404 CG TYR A 26 -11.465 5.124 -6.933 1.00 15.21 C ATOM 405 CD1 TYR A 26 -12.499 6.025 -6.687 1.00 2.13 C ATOM 406 CD2 TYR A 26 -11.410 3.970 -6.145 1.00 5.15 C ATOM 407 CE1 TYR A 26 -13.442 5.778 -5.714 1.00 2.35 C ATOM 408 CE2 TYR A 26 -12.339 3.731 -5.159 1.00 15.55 C ATOM 409 CZ TYR A 26 -13.356 4.638 -4.954 1.00 14.53 C ATOM 410 OH TYR A 26 -14.317 4.373 -4.009 1.00 14.12 O ATOM 0 H TYR A 26 -11.319 3.053 -9.330 1.00 53.41 H new ATOM 0 HA TYR A 26 -11.847 5.989 -9.627 1.00 51.12 H new ATOM 0 HB2 TYR A 26 -9.644 4.664 -7.995 1.00 0.41 H new ATOM 0 HB3 TYR A 26 -10.076 6.362 -8.026 1.00 0.41 H new ATOM 0 HD1 TYR A 26 -12.562 6.932 -7.269 1.00 2.13 H new ATOM 0 HD2 TYR A 26 -10.622 3.251 -6.314 1.00 5.15 H new ATOM 0 HE1 TYR A 26 -14.247 6.479 -5.549 1.00 2.35 H new ATOM 0 HE2 TYR A 26 -12.272 2.841 -4.551 1.00 15.55 H new ATOM 0 HH TYR A 26 -15.206 4.463 -4.412 1.00 14.12 H new ATOM 420 N PRO A 27 -10.551 5.700 -11.863 1.00 32.43 N ATOM 421 CA PRO A 27 -9.706 5.692 -13.087 1.00 62.42 C ATOM 422 C PRO A 27 -8.366 6.431 -12.909 1.00 74.05 C ATOM 423 O PRO A 27 -7.309 5.925 -13.289 1.00 71.34 O ATOM 424 CB PRO A 27 -10.589 6.410 -14.146 1.00 13.10 C ATOM 425 CG PRO A 27 -11.993 6.263 -13.645 1.00 24.42 C ATOM 426 CD PRO A 27 -11.885 6.317 -12.142 1.00 13.22 C ATOM 0 HA PRO A 27 -9.420 4.677 -13.363 1.00 62.42 H new ATOM 0 HB2 PRO A 27 -10.313 7.460 -14.244 1.00 13.10 H new ATOM 0 HB3 PRO A 27 -10.472 5.957 -15.130 1.00 13.10 H new ATOM 0 HG2 PRO A 27 -12.631 7.062 -14.023 1.00 24.42 H new ATOM 0 HG3 PRO A 27 -12.432 5.321 -13.975 1.00 24.42 H new ATOM 0 HD2 PRO A 27 -11.938 7.341 -11.773 1.00 13.22 H new ATOM 0 HD3 PRO A 27 -12.691 5.763 -11.662 1.00 13.22 H new ATOM 434 N GLY A 28 -8.445 7.624 -12.314 1.00 64.23 N ATOM 435 CA GLY A 28 -7.294 8.505 -12.131 1.00 23.12 C ATOM 436 C GLY A 28 -6.656 8.350 -10.765 1.00 60.45 C ATOM 437 O GLY A 28 -6.445 9.345 -10.058 1.00 42.12 O ATOM 0 H GLY A 28 -9.316 8.006 -11.944 1.00 64.23 H new ATOM 0 HA2 GLY A 28 -6.552 8.293 -12.901 1.00 23.12 H new ATOM 0 HA3 GLY A 28 -7.608 9.540 -12.267 1.00 23.12 H new ATOM 441 N ARG A 29 -6.375 7.094 -10.375 1.00 21.13 N ATOM 442 CA ARG A 29 -5.633 6.770 -9.146 1.00 12.13 C ATOM 443 C ARG A 29 -4.583 5.708 -9.447 1.00 31.54 C ATOM 444 O ARG A 29 -4.906 4.638 -9.968 1.00 71.04 O ATOM 445 CB ARG A 29 -6.580 6.279 -8.007 1.00 13.24 C ATOM 446 CG ARG A 29 -7.413 7.391 -7.339 1.00 1.34 C ATOM 447 CD ARG A 29 -6.532 8.495 -6.716 1.00 52.33 C ATOM 448 NE ARG A 29 -7.339 9.483 -5.991 1.00 0.41 N ATOM 449 CZ ARG A 29 -8.043 10.463 -6.564 1.00 2.52 C ATOM 450 NH1 ARG A 29 -8.038 10.638 -7.887 1.00 21.42 N ATOM 451 NH2 ARG A 29 -8.770 11.252 -5.807 1.00 53.14 N ATOM 0 H ARG A 29 -6.658 6.271 -10.907 1.00 21.13 H new ATOM 0 HA ARG A 29 -5.147 7.681 -8.797 1.00 12.13 H new ATOM 0 HB2 ARG A 29 -7.259 5.530 -8.415 1.00 13.24 H new ATOM 0 HB3 ARG A 29 -5.981 5.784 -7.243 1.00 13.24 H new ATOM 0 HG2 ARG A 29 -8.079 7.836 -8.078 1.00 1.34 H new ATOM 0 HG3 ARG A 29 -8.043 6.953 -6.565 1.00 1.34 H new ATOM 0 HD2 ARG A 29 -5.809 8.044 -6.036 1.00 52.33 H new ATOM 0 HD3 ARG A 29 -5.963 8.994 -7.501 1.00 52.33 H new ATOM 0 HE ARG A 29 -7.364 9.417 -4.973 1.00 0.41 H new ATOM 0 HH11 ARG A 29 -7.489 10.017 -8.482 1.00 21.42 H new ATOM 0 HH12 ARG A 29 -8.583 11.393 -8.304 1.00 21.42 H new ATOM 0 HH21 ARG A 29 -8.791 11.112 -4.797 1.00 53.14 H new ATOM 0 HH22 ARG A 29 -9.313 12.005 -6.229 1.00 53.14 H new ATOM 465 N GLU A 30 -3.329 6.035 -9.127 1.00 71.10 N ATOM 466 CA GLU A 30 -2.192 5.125 -9.219 1.00 1.50 C ATOM 467 C GLU A 30 -2.117 4.316 -7.914 1.00 73.43 C ATOM 468 O GLU A 30 -2.113 4.901 -6.823 1.00 31.35 O ATOM 469 CB GLU A 30 -0.881 5.934 -9.474 1.00 51.13 C ATOM 470 CG GLU A 30 -0.833 6.723 -10.814 1.00 11.15 C ATOM 471 CD GLU A 30 -1.868 7.866 -10.951 1.00 50.25 C ATOM 472 OE1 GLU A 30 -1.959 8.706 -10.027 1.00 54.42 O ATOM 473 OE2 GLU A 30 -2.595 7.933 -11.972 1.00 71.15 O ATOM 0 H GLU A 30 -3.073 6.963 -8.789 1.00 71.10 H new ATOM 0 HA GLU A 30 -2.314 4.437 -10.056 1.00 1.50 H new ATOM 0 HB2 GLU A 30 -0.743 6.637 -8.653 1.00 51.13 H new ATOM 0 HB3 GLU A 30 -0.038 5.244 -9.448 1.00 51.13 H new ATOM 0 HG2 GLU A 30 0.165 7.144 -10.932 1.00 11.15 H new ATOM 0 HG3 GLU A 30 -0.982 6.021 -11.634 1.00 11.15 H new ATOM 480 N ILE A 31 -2.130 2.985 -8.024 1.00 2.41 N ATOM 481 CA ILE A 31 -2.044 2.081 -6.866 1.00 23.54 C ATOM 482 C ILE A 31 -0.799 1.194 -7.028 1.00 54.04 C ATOM 483 O ILE A 31 -0.514 0.726 -8.134 1.00 34.53 O ATOM 484 CB ILE A 31 -3.341 1.193 -6.724 1.00 31.11 C ATOM 485 CG1 ILE A 31 -4.622 2.090 -6.615 1.00 71.55 C ATOM 486 CG2 ILE A 31 -3.218 0.255 -5.508 1.00 11.22 C ATOM 487 CD1 ILE A 31 -5.927 1.322 -6.480 1.00 53.20 C ATOM 0 H ILE A 31 -2.200 2.500 -8.918 1.00 2.41 H new ATOM 0 HA ILE A 31 -1.964 2.677 -5.957 1.00 23.54 H new ATOM 0 HB ILE A 31 -3.439 0.580 -7.620 1.00 31.11 H new ATOM 0 HG12 ILE A 31 -4.514 2.750 -5.754 1.00 71.55 H new ATOM 0 HG13 ILE A 31 -4.680 2.725 -7.499 1.00 71.55 H new ATOM 0 HG21 ILE A 31 -4.120 -0.351 -5.423 1.00 11.22 H new ATOM 0 HG22 ILE A 31 -2.354 -0.397 -5.637 1.00 11.22 H new ATOM 0 HG23 ILE A 31 -3.093 0.848 -4.602 1.00 11.22 H new ATOM 0 HD11 ILE A 31 -6.757 2.025 -6.411 1.00 53.20 H new ATOM 0 HD12 ILE A 31 -6.065 0.682 -7.352 1.00 53.20 H new ATOM 0 HD13 ILE A 31 -5.896 0.708 -5.580 1.00 53.20 H new ATOM 499 N ARG A 32 -0.062 0.977 -5.929 1.00 10.14 N ATOM 500 CA ARG A 32 1.171 0.166 -5.924 1.00 13.41 C ATOM 501 C ARG A 32 0.922 -1.221 -5.315 1.00 50.22 C ATOM 502 O ARG A 32 -0.037 -1.432 -4.565 1.00 42.40 O ATOM 503 CB ARG A 32 2.288 0.893 -5.129 1.00 14.21 C ATOM 504 CG ARG A 32 2.814 2.177 -5.793 1.00 32.32 C ATOM 505 CD ARG A 32 3.466 1.919 -7.164 1.00 14.23 C ATOM 506 NE ARG A 32 3.930 3.160 -7.810 1.00 54.13 N ATOM 507 CZ ARG A 32 4.820 3.213 -8.819 1.00 45.31 C ATOM 508 NH1 ARG A 32 5.367 2.098 -9.312 1.00 63.02 N ATOM 509 NH2 ARG A 32 5.137 4.384 -9.350 1.00 13.04 N ATOM 0 H ARG A 32 -0.302 1.359 -5.014 1.00 10.14 H new ATOM 0 HA ARG A 32 1.488 0.035 -6.959 1.00 13.41 H new ATOM 0 HB2 ARG A 32 1.908 1.141 -4.138 1.00 14.21 H new ATOM 0 HB3 ARG A 32 3.122 0.205 -4.987 1.00 14.21 H new ATOM 0 HG2 ARG A 32 1.990 2.881 -5.915 1.00 32.32 H new ATOM 0 HG3 ARG A 32 3.542 2.649 -5.133 1.00 32.32 H new ATOM 0 HD2 ARG A 32 4.310 1.240 -7.040 1.00 14.23 H new ATOM 0 HD3 ARG A 32 2.749 1.420 -7.816 1.00 14.23 H new ATOM 0 HE ARG A 32 3.549 4.042 -7.468 1.00 54.13 H new ATOM 0 HH11 ARG A 32 5.112 1.190 -8.924 1.00 63.02 H new ATOM 0 HH12 ARG A 32 6.040 2.155 -10.077 1.00 63.02 H new ATOM 0 HH21 ARG A 32 4.708 5.238 -8.994 1.00 13.04 H new ATOM 0 HH22 ARG A 32 5.810 4.432 -10.115 1.00 13.04 H new ATOM 523 N THR A 33 1.815 -2.154 -5.668 1.00 64.54 N ATOM 524 CA THR A 33 1.864 -3.513 -5.119 1.00 63.13 C ATOM 525 C THR A 33 3.336 -3.890 -4.905 1.00 14.31 C ATOM 526 O THR A 33 4.117 -3.810 -5.852 1.00 13.14 O ATOM 527 CB THR A 33 1.216 -4.546 -6.101 1.00 41.03 C ATOM 528 OG1 THR A 33 -0.135 -4.187 -6.350 1.00 55.52 O ATOM 529 CG2 THR A 33 1.263 -5.982 -5.557 1.00 54.21 C ATOM 0 H THR A 33 2.542 -1.979 -6.362 1.00 64.54 H new ATOM 0 HA THR A 33 1.308 -3.536 -4.182 1.00 63.13 H new ATOM 0 HB THR A 33 1.796 -4.521 -7.023 1.00 41.03 H new ATOM 0 HG1 THR A 33 -0.265 -4.048 -7.311 1.00 55.52 H new ATOM 0 HG21 THR A 33 0.801 -6.659 -6.276 1.00 54.21 H new ATOM 0 HG22 THR A 33 2.300 -6.276 -5.396 1.00 54.21 H new ATOM 0 HG23 THR A 33 0.721 -6.031 -4.612 1.00 54.21 H new ATOM 537 N ALA A 34 3.699 -4.330 -3.693 1.00 34.31 N ATOM 538 CA ALA A 34 5.078 -4.725 -3.395 1.00 52.03 C ATOM 539 C ALA A 34 5.361 -6.113 -3.981 1.00 74.15 C ATOM 540 O ALA A 34 4.869 -7.126 -3.476 1.00 62.42 O ATOM 541 CB ALA A 34 5.309 -4.721 -1.889 1.00 54.42 C ATOM 0 H ALA A 34 3.057 -4.421 -2.906 1.00 34.31 H new ATOM 0 HA ALA A 34 5.762 -4.009 -3.850 1.00 52.03 H new ATOM 0 HB1 ALA A 34 6.337 -5.016 -1.678 1.00 54.42 H new ATOM 0 HB2 ALA A 34 5.131 -3.720 -1.496 1.00 54.42 H new ATOM 0 HB3 ALA A 34 4.625 -5.424 -1.414 1.00 54.42 H new ATOM 547 N THR A 35 6.129 -6.122 -5.077 1.00 32.31 N ATOM 548 CA THR A 35 6.616 -7.347 -5.730 1.00 62.14 C ATOM 549 C THR A 35 7.644 -8.050 -4.818 1.00 41.25 C ATOM 550 O THR A 35 7.638 -9.274 -4.661 1.00 62.02 O ATOM 551 CB THR A 35 7.272 -6.990 -7.113 1.00 41.40 C ATOM 552 OG1 THR A 35 6.424 -6.067 -7.815 1.00 21.35 O ATOM 553 CG2 THR A 35 7.517 -8.230 -7.998 1.00 41.12 C ATOM 0 H THR A 35 6.435 -5.268 -5.543 1.00 32.31 H new ATOM 0 HA THR A 35 5.777 -8.021 -5.903 1.00 62.14 H new ATOM 0 HB THR A 35 8.245 -6.545 -6.904 1.00 41.40 H new ATOM 0 HG1 THR A 35 6.830 -5.840 -8.677 1.00 21.35 H new ATOM 0 HG21 THR A 35 7.971 -7.921 -8.939 1.00 41.12 H new ATOM 0 HG22 THR A 35 8.185 -8.919 -7.482 1.00 41.12 H new ATOM 0 HG23 THR A 35 6.568 -8.727 -8.199 1.00 41.12 H new ATOM 561 N SER A 36 8.484 -7.214 -4.192 1.00 20.25 N ATOM 562 CA SER A 36 9.609 -7.643 -3.352 1.00 13.35 C ATOM 563 C SER A 36 10.135 -6.441 -2.538 1.00 70.30 C ATOM 564 O SER A 36 9.590 -5.331 -2.629 1.00 51.23 O ATOM 565 CB SER A 36 10.736 -8.235 -4.253 1.00 52.33 C ATOM 566 OG SER A 36 11.852 -8.695 -3.499 1.00 54.21 O ATOM 0 H SER A 36 8.398 -6.200 -4.257 1.00 20.25 H new ATOM 0 HA SER A 36 9.278 -8.414 -2.657 1.00 13.35 H new ATOM 0 HB2 SER A 36 10.332 -9.061 -4.839 1.00 52.33 H new ATOM 0 HB3 SER A 36 11.068 -7.475 -4.960 1.00 52.33 H new ATOM 0 HG SER A 36 12.530 -9.058 -4.106 1.00 54.21 H new ATOM 572 N SER A 37 11.193 -6.688 -1.751 1.00 22.40 N ATOM 573 CA SER A 37 11.962 -5.660 -1.027 1.00 21.44 C ATOM 574 C SER A 37 12.578 -4.627 -2.003 1.00 73.20 C ATOM 575 O SER A 37 12.684 -3.434 -1.687 1.00 13.44 O ATOM 576 CB SER A 37 13.067 -6.365 -0.221 1.00 51.52 C ATOM 577 OG SER A 37 13.807 -7.253 -1.048 1.00 73.41 O ATOM 0 H SER A 37 11.548 -7.632 -1.595 1.00 22.40 H new ATOM 0 HA SER A 37 11.297 -5.113 -0.358 1.00 21.44 H new ATOM 0 HB2 SER A 37 13.736 -5.623 0.213 1.00 51.52 H new ATOM 0 HB3 SER A 37 12.623 -6.917 0.607 1.00 51.52 H new ATOM 0 HG SER A 37 14.505 -7.689 -0.517 1.00 73.41 H new ATOM 583 N GLN A 38 12.977 -5.121 -3.193 1.00 11.42 N ATOM 584 CA GLN A 38 13.482 -4.282 -4.294 1.00 5.13 C ATOM 585 C GLN A 38 12.396 -3.290 -4.766 1.00 42.44 C ATOM 586 O GLN A 38 12.671 -2.101 -5.000 1.00 31.20 O ATOM 587 CB GLN A 38 13.949 -5.186 -5.470 1.00 14.44 C ATOM 588 CG GLN A 38 14.513 -4.436 -6.698 1.00 62.23 C ATOM 589 CD GLN A 38 15.796 -3.650 -6.404 1.00 22.10 C ATOM 590 OE1 GLN A 38 16.906 -4.166 -6.551 1.00 62.25 O ATOM 591 NE2 GLN A 38 15.659 -2.406 -5.977 1.00 65.01 N ATOM 0 H GLN A 38 12.957 -6.116 -3.416 1.00 11.42 H new ATOM 0 HA GLN A 38 14.332 -3.702 -3.935 1.00 5.13 H new ATOM 0 HB2 GLN A 38 14.714 -5.869 -5.100 1.00 14.44 H new ATOM 0 HB3 GLN A 38 13.106 -5.797 -5.794 1.00 14.44 H new ATOM 0 HG2 GLN A 38 14.712 -5.156 -7.492 1.00 62.23 H new ATOM 0 HG3 GLN A 38 13.754 -3.749 -7.073 1.00 62.23 H new ATOM 0 HE21 GLN A 38 14.728 -2.005 -5.865 1.00 65.01 H new ATOM 0 HE22 GLN A 38 16.484 -1.847 -5.760 1.00 65.01 H new ATOM 600 N ASP A 39 11.156 -3.797 -4.855 1.00 4.34 N ATOM 601 CA ASP A 39 9.997 -3.006 -5.296 1.00 30.02 C ATOM 602 C ASP A 39 9.595 -1.982 -4.215 1.00 11.23 C ATOM 603 O ASP A 39 9.163 -0.897 -4.548 1.00 31.30 O ATOM 604 CB ASP A 39 8.816 -3.939 -5.640 1.00 53.20 C ATOM 605 CG ASP A 39 7.678 -3.234 -6.406 1.00 4.10 C ATOM 606 OD1 ASP A 39 7.721 -3.201 -7.658 1.00 55.43 O ATOM 607 OD2 ASP A 39 6.740 -2.732 -5.771 1.00 35.12 O ATOM 0 H ASP A 39 10.929 -4.764 -4.624 1.00 4.34 H new ATOM 0 HA ASP A 39 10.272 -2.454 -6.195 1.00 30.02 H new ATOM 0 HB2 ASP A 39 9.184 -4.772 -6.238 1.00 53.20 H new ATOM 0 HB3 ASP A 39 8.416 -4.361 -4.718 1.00 53.20 H new ATOM 612 N ILE A 40 9.771 -2.350 -2.920 1.00 42.31 N ATOM 613 CA ILE A 40 9.567 -1.434 -1.764 1.00 32.22 C ATOM 614 C ILE A 40 10.411 -0.146 -1.936 1.00 15.00 C ATOM 615 O ILE A 40 9.903 0.975 -1.778 1.00 10.12 O ATOM 616 CB ILE A 40 9.944 -2.158 -0.404 1.00 32.53 C ATOM 617 CG1 ILE A 40 8.915 -3.281 -0.040 1.00 40.05 C ATOM 618 CG2 ILE A 40 10.122 -1.168 0.772 1.00 23.21 C ATOM 619 CD1 ILE A 40 7.496 -2.808 0.263 1.00 33.44 C ATOM 0 H ILE A 40 10.058 -3.290 -2.646 1.00 42.31 H new ATOM 0 HA ILE A 40 8.513 -1.158 -1.730 1.00 32.22 H new ATOM 0 HB ILE A 40 10.913 -2.629 -0.572 1.00 32.53 H new ATOM 0 HG12 ILE A 40 8.873 -3.991 -0.866 1.00 40.05 H new ATOM 0 HG13 ILE A 40 9.290 -3.824 0.828 1.00 40.05 H new ATOM 0 HG21 ILE A 40 10.379 -1.720 1.676 1.00 23.21 H new ATOM 0 HG22 ILE A 40 10.920 -0.464 0.537 1.00 23.21 H new ATOM 0 HG23 ILE A 40 9.192 -0.622 0.932 1.00 23.21 H new ATOM 0 HD11 ILE A 40 6.869 -3.667 0.502 1.00 33.44 H new ATOM 0 HD12 ILE A 40 7.514 -2.125 1.112 1.00 33.44 H new ATOM 0 HD13 ILE A 40 7.090 -2.294 -0.608 1.00 33.44 H new ATOM 631 N ARG A 41 11.696 -0.336 -2.296 1.00 43.34 N ATOM 632 CA ARG A 41 12.637 0.775 -2.560 1.00 61.13 C ATOM 633 C ARG A 41 12.159 1.638 -3.749 1.00 52.40 C ATOM 634 O ARG A 41 12.175 2.876 -3.684 1.00 41.10 O ATOM 635 CB ARG A 41 14.047 0.209 -2.859 1.00 23.14 C ATOM 636 CG ARG A 41 14.696 -0.572 -1.701 1.00 72.12 C ATOM 637 CD ARG A 41 15.053 0.305 -0.486 1.00 63.32 C ATOM 638 NE ARG A 41 15.716 -0.478 0.578 1.00 73.34 N ATOM 639 CZ ARG A 41 16.830 -0.123 1.245 1.00 32.13 C ATOM 640 NH1 ARG A 41 17.448 1.032 1.005 1.00 4.13 N ATOM 641 NH2 ARG A 41 17.287 -0.912 2.196 1.00 63.22 N ATOM 0 H ARG A 41 12.111 -1.260 -2.412 1.00 43.34 H new ATOM 0 HA ARG A 41 12.676 1.406 -1.672 1.00 61.13 H new ATOM 0 HB2 ARG A 41 13.982 -0.447 -3.727 1.00 23.14 H new ATOM 0 HB3 ARG A 41 14.703 1.036 -3.132 1.00 23.14 H new ATOM 0 HG2 ARG A 41 14.016 -1.361 -1.381 1.00 72.12 H new ATOM 0 HG3 ARG A 41 15.601 -1.059 -2.065 1.00 72.12 H new ATOM 0 HD2 ARG A 41 15.708 1.116 -0.803 1.00 63.32 H new ATOM 0 HD3 ARG A 41 14.147 0.764 -0.090 1.00 63.32 H new ATOM 0 HE ARG A 41 15.290 -1.370 0.830 1.00 73.34 H new ATOM 0 HH11 ARG A 41 17.078 1.672 0.302 1.00 4.13 H new ATOM 0 HH12 ARG A 41 18.291 1.277 1.525 1.00 4.13 H new ATOM 0 HH21 ARG A 41 16.798 -1.779 2.418 1.00 63.22 H new ATOM 0 HH22 ARG A 41 18.130 -0.656 2.710 1.00 63.22 H new ATOM 655 N ASP A 42 11.734 0.952 -4.828 1.00 60.50 N ATOM 656 CA ASP A 42 11.196 1.588 -6.051 1.00 50.43 C ATOM 657 C ASP A 42 9.960 2.475 -5.749 1.00 21.04 C ATOM 658 O ASP A 42 9.870 3.610 -6.250 1.00 53.31 O ATOM 659 CB ASP A 42 10.855 0.506 -7.115 1.00 34.25 C ATOM 660 CG ASP A 42 10.106 1.077 -8.336 1.00 63.32 C ATOM 661 OD1 ASP A 42 10.726 1.810 -9.143 1.00 14.04 O ATOM 662 OD2 ASP A 42 8.890 0.832 -8.471 1.00 32.40 O ATOM 0 H ASP A 42 11.754 -0.067 -4.878 1.00 60.50 H new ATOM 0 HA ASP A 42 11.969 2.244 -6.451 1.00 50.43 H new ATOM 0 HB2 ASP A 42 11.777 0.031 -7.451 1.00 34.25 H new ATOM 0 HB3 ASP A 42 10.246 -0.271 -6.653 1.00 34.25 H new ATOM 667 N ILE A 43 9.044 1.951 -4.911 1.00 13.00 N ATOM 668 CA ILE A 43 7.797 2.641 -4.524 1.00 52.12 C ATOM 669 C ILE A 43 8.105 3.959 -3.799 1.00 53.24 C ATOM 670 O ILE A 43 7.621 5.010 -4.195 1.00 0.43 O ATOM 671 CB ILE A 43 6.887 1.750 -3.588 1.00 0.22 C ATOM 672 CG1 ILE A 43 6.393 0.468 -4.321 1.00 0.41 C ATOM 673 CG2 ILE A 43 5.683 2.558 -3.049 1.00 71.02 C ATOM 674 CD1 ILE A 43 5.680 -0.533 -3.431 1.00 72.00 C ATOM 0 H ILE A 43 9.149 1.032 -4.481 1.00 13.00 H new ATOM 0 HA ILE A 43 7.256 2.840 -5.449 1.00 52.12 H new ATOM 0 HB ILE A 43 7.502 1.439 -2.743 1.00 0.22 H new ATOM 0 HG12 ILE A 43 5.720 0.762 -5.126 1.00 0.41 H new ATOM 0 HG13 ILE A 43 7.249 -0.023 -4.784 1.00 0.41 H new ATOM 0 HG21 ILE A 43 5.074 1.920 -2.408 1.00 71.02 H new ATOM 0 HG22 ILE A 43 6.045 3.410 -2.474 1.00 71.02 H new ATOM 0 HG23 ILE A 43 5.080 2.914 -3.885 1.00 71.02 H new ATOM 0 HD11 ILE A 43 5.371 -1.393 -4.025 1.00 72.00 H new ATOM 0 HD12 ILE A 43 6.354 -0.861 -2.640 1.00 72.00 H new ATOM 0 HD13 ILE A 43 4.801 -0.064 -2.988 1.00 72.00 H new ATOM 686 N ILE A 44 8.926 3.870 -2.738 1.00 32.42 N ATOM 687 CA ILE A 44 9.236 5.004 -1.849 1.00 21.55 C ATOM 688 C ILE A 44 10.068 6.080 -2.592 1.00 30.32 C ATOM 689 O ILE A 44 9.903 7.286 -2.349 1.00 73.42 O ATOM 690 CB ILE A 44 9.925 4.480 -0.532 1.00 44.31 C ATOM 691 CG1 ILE A 44 8.942 3.499 0.199 1.00 32.24 C ATOM 692 CG2 ILE A 44 10.351 5.639 0.409 1.00 12.13 C ATOM 693 CD1 ILE A 44 9.501 2.830 1.433 1.00 0.44 C ATOM 0 H ILE A 44 9.396 3.005 -2.472 1.00 32.42 H new ATOM 0 HA ILE A 44 8.311 5.498 -1.550 1.00 21.55 H new ATOM 0 HB ILE A 44 10.840 3.954 -0.806 1.00 44.31 H new ATOM 0 HG12 ILE A 44 8.045 4.051 0.479 1.00 32.24 H new ATOM 0 HG13 ILE A 44 8.634 2.727 -0.506 1.00 32.24 H new ATOM 0 HG21 ILE A 44 10.821 5.228 1.303 1.00 12.13 H new ATOM 0 HG22 ILE A 44 11.059 6.286 -0.108 1.00 12.13 H new ATOM 0 HG23 ILE A 44 9.472 6.218 0.694 1.00 12.13 H new ATOM 0 HD11 ILE A 44 8.746 2.173 1.864 1.00 0.44 H new ATOM 0 HD12 ILE A 44 10.380 2.244 1.163 1.00 0.44 H new ATOM 0 HD13 ILE A 44 9.781 3.589 2.163 1.00 0.44 H new ATOM 705 N LYS A 45 10.891 5.633 -3.555 1.00 60.03 N ATOM 706 CA LYS A 45 11.603 6.524 -4.496 1.00 33.40 C ATOM 707 C LYS A 45 10.590 7.298 -5.371 1.00 42.12 C ATOM 708 O LYS A 45 10.734 8.507 -5.593 1.00 23.44 O ATOM 709 CB LYS A 45 12.590 5.677 -5.358 1.00 31.10 C ATOM 710 CG LYS A 45 13.459 6.454 -6.392 1.00 2.24 C ATOM 711 CD LYS A 45 12.850 6.553 -7.821 1.00 1.01 C ATOM 712 CE LYS A 45 12.952 5.246 -8.647 1.00 3.24 C ATOM 713 NZ LYS A 45 12.100 4.138 -8.131 1.00 32.44 N ATOM 0 H LYS A 45 11.084 4.643 -3.706 1.00 60.03 H new ATOM 0 HA LYS A 45 12.181 7.264 -3.943 1.00 33.40 H new ATOM 0 HB2 LYS A 45 13.260 5.143 -4.683 1.00 31.10 H new ATOM 0 HB3 LYS A 45 12.013 4.924 -5.895 1.00 31.10 H new ATOM 0 HG2 LYS A 45 13.630 7.463 -6.016 1.00 2.24 H new ATOM 0 HG3 LYS A 45 14.433 5.970 -6.461 1.00 2.24 H new ATOM 0 HD2 LYS A 45 11.801 6.836 -7.738 1.00 1.01 H new ATOM 0 HD3 LYS A 45 13.354 7.353 -8.364 1.00 1.01 H new ATOM 0 HE2 LYS A 45 12.671 5.457 -9.679 1.00 3.24 H new ATOM 0 HE3 LYS A 45 13.991 4.916 -8.661 1.00 3.24 H new ATOM 0 HZ1 LYS A 45 11.836 3.508 -8.916 1.00 32.44 H new ATOM 0 HZ2 LYS A 45 12.628 3.598 -7.416 1.00 32.44 H new ATOM 0 HZ3 LYS A 45 11.240 4.533 -7.700 1.00 32.44 H new ATOM 727 N SER A 46 9.554 6.580 -5.841 1.00 1.44 N ATOM 728 CA SER A 46 8.458 7.162 -6.645 1.00 41.24 C ATOM 729 C SER A 46 7.550 8.057 -5.769 1.00 34.13 C ATOM 730 O SER A 46 6.982 9.040 -6.247 1.00 42.34 O ATOM 731 CB SER A 46 7.636 6.025 -7.303 1.00 10.10 C ATOM 732 OG SER A 46 6.615 6.529 -8.154 1.00 4.43 O ATOM 0 H SER A 46 9.451 5.579 -5.675 1.00 1.44 H new ATOM 0 HA SER A 46 8.887 7.788 -7.427 1.00 41.24 H new ATOM 0 HB2 SER A 46 8.302 5.382 -7.878 1.00 10.10 H new ATOM 0 HB3 SER A 46 7.187 5.406 -6.526 1.00 10.10 H new ATOM 0 HG SER A 46 6.844 6.339 -9.088 1.00 4.43 H new ATOM 738 N MET A 47 7.461 7.716 -4.470 1.00 72.14 N ATOM 739 CA MET A 47 6.647 8.457 -3.485 1.00 12.13 C ATOM 740 C MET A 47 7.167 9.881 -3.315 1.00 3.11 C ATOM 741 O MET A 47 6.386 10.837 -3.262 1.00 10.23 O ATOM 742 CB MET A 47 6.648 7.739 -2.100 1.00 1.15 C ATOM 743 CG MET A 47 5.716 6.530 -1.992 1.00 41.52 C ATOM 744 SD MET A 47 3.992 6.961 -2.286 1.00 1.35 S ATOM 745 CE MET A 47 3.779 8.362 -1.199 1.00 43.33 C ATOM 0 H MET A 47 7.953 6.916 -4.071 1.00 72.14 H new ATOM 0 HA MET A 47 5.626 8.490 -3.865 1.00 12.13 H new ATOM 0 HB2 MET A 47 7.665 7.415 -1.878 1.00 1.15 H new ATOM 0 HB3 MET A 47 6.369 8.462 -1.334 1.00 1.15 H new ATOM 0 HG2 MET A 47 6.025 5.771 -2.711 1.00 41.52 H new ATOM 0 HG3 MET A 47 5.813 6.088 -1.000 1.00 41.52 H new ATOM 0 HE1 MET A 47 2.732 8.665 -1.197 1.00 43.33 H new ATOM 0 HE2 MET A 47 4.079 8.087 -0.188 1.00 43.33 H new ATOM 0 HE3 MET A 47 4.396 9.190 -1.548 1.00 43.33 H new ATOM 755 N LYS A 48 8.497 9.994 -3.210 1.00 42.22 N ATOM 756 CA LYS A 48 9.182 11.287 -3.074 1.00 25.33 C ATOM 757 C LYS A 48 9.123 12.087 -4.385 1.00 14.12 C ATOM 758 O LYS A 48 8.841 13.286 -4.362 1.00 34.51 O ATOM 759 CB LYS A 48 10.656 11.088 -2.676 1.00 45.53 C ATOM 760 CG LYS A 48 10.889 10.238 -1.416 1.00 54.12 C ATOM 761 CD LYS A 48 12.372 10.266 -0.981 1.00 31.25 C ATOM 762 CE LYS A 48 12.805 11.662 -0.504 1.00 75.01 C ATOM 763 NZ LYS A 48 14.260 11.727 -0.178 1.00 74.04 N ATOM 0 H LYS A 48 9.129 9.193 -3.217 1.00 42.22 H new ATOM 0 HA LYS A 48 8.666 11.844 -2.291 1.00 25.33 H new ATOM 0 HB2 LYS A 48 11.180 10.622 -3.510 1.00 45.53 H new ATOM 0 HB3 LYS A 48 11.109 12.067 -2.522 1.00 45.53 H new ATOM 0 HG2 LYS A 48 10.263 10.609 -0.604 1.00 54.12 H new ATOM 0 HG3 LYS A 48 10.584 9.209 -1.608 1.00 54.12 H new ATOM 0 HD2 LYS A 48 12.529 9.544 -0.179 1.00 31.25 H new ATOM 0 HD3 LYS A 48 13.001 9.957 -1.816 1.00 31.25 H new ATOM 0 HE2 LYS A 48 12.576 12.394 -1.278 1.00 75.01 H new ATOM 0 HE3 LYS A 48 12.226 11.938 0.377 1.00 75.01 H new ATOM 0 HZ1 LYS A 48 14.421 12.457 0.545 1.00 74.04 H new ATOM 0 HZ2 LYS A 48 14.576 10.805 0.184 1.00 74.04 H new ATOM 0 HZ3 LYS A 48 14.798 11.965 -1.036 1.00 74.04 H new ATOM 777 N ASP A 49 9.407 11.393 -5.507 1.00 5.54 N ATOM 778 CA ASP A 49 9.491 11.994 -6.860 1.00 0.22 C ATOM 779 C ASP A 49 8.164 12.670 -7.233 1.00 11.45 C ATOM 780 O ASP A 49 8.117 13.846 -7.620 1.00 10.13 O ATOM 781 CB ASP A 49 9.831 10.894 -7.910 1.00 11.20 C ATOM 782 CG ASP A 49 9.904 11.430 -9.355 1.00 55.35 C ATOM 783 OD1 ASP A 49 10.991 11.874 -9.782 1.00 20.03 O ATOM 784 OD2 ASP A 49 8.868 11.421 -10.061 1.00 42.22 O ATOM 0 H ASP A 49 9.587 10.389 -5.502 1.00 5.54 H new ATOM 0 HA ASP A 49 10.279 12.747 -6.855 1.00 0.22 H new ATOM 0 HB2 ASP A 49 10.786 10.437 -7.651 1.00 11.20 H new ATOM 0 HB3 ASP A 49 9.078 10.108 -7.859 1.00 11.20 H new ATOM 789 N ASN A 50 7.095 11.888 -7.087 1.00 51.21 N ATOM 790 CA ASN A 50 5.735 12.286 -7.459 1.00 20.52 C ATOM 791 C ASN A 50 5.170 13.243 -6.402 1.00 32.31 C ATOM 792 O ASN A 50 4.536 14.250 -6.733 1.00 35.23 O ATOM 793 CB ASN A 50 4.822 11.033 -7.591 1.00 50.21 C ATOM 794 CG ASN A 50 5.189 10.045 -8.725 1.00 72.14 C ATOM 795 OD1 ASN A 50 4.312 9.426 -9.321 1.00 54.01 O ATOM 796 ND2 ASN A 50 6.470 9.885 -9.043 1.00 1.40 N ATOM 0 H ASN A 50 7.149 10.945 -6.701 1.00 51.21 H new ATOM 0 HA ASN A 50 5.765 12.795 -8.423 1.00 20.52 H new ATOM 0 HB2 ASN A 50 4.841 10.493 -6.645 1.00 50.21 H new ATOM 0 HB3 ASN A 50 3.797 11.369 -7.746 1.00 50.21 H new ATOM 0 HD21 ASN A 50 6.734 9.242 -9.790 1.00 1.40 H new ATOM 0 HD22 ASN A 50 7.189 10.405 -8.540 1.00 1.40 H new ATOM 803 N GLY A 51 5.417 12.909 -5.122 1.00 42.12 N ATOM 804 CA GLY A 51 4.865 13.665 -3.996 1.00 64.53 C ATOM 805 C GLY A 51 3.357 13.490 -3.853 1.00 1.13 C ATOM 806 O GLY A 51 2.694 14.296 -3.199 1.00 3.11 O ATOM 0 H GLY A 51 5.998 12.117 -4.847 1.00 42.12 H new ATOM 0 HA2 GLY A 51 5.353 13.345 -3.075 1.00 64.53 H new ATOM 0 HA3 GLY A 51 5.093 14.723 -4.127 1.00 64.53 H new ATOM 810 N LYS A 52 2.823 12.407 -4.443 1.00 61.21 N ATOM 811 CA LYS A 52 1.374 12.127 -4.490 1.00 73.42 C ATOM 812 C LYS A 52 0.999 11.118 -3.383 1.00 52.11 C ATOM 813 O LYS A 52 1.894 10.534 -2.748 1.00 41.31 O ATOM 814 CB LYS A 52 0.977 11.576 -5.891 1.00 43.14 C ATOM 815 CG LYS A 52 1.471 10.141 -6.191 1.00 4.11 C ATOM 816 CD LYS A 52 0.872 9.559 -7.495 1.00 73.14 C ATOM 817 CE LYS A 52 1.242 10.370 -8.737 1.00 52.35 C ATOM 818 NZ LYS A 52 0.762 9.724 -9.994 1.00 1.04 N ATOM 0 H LYS A 52 3.388 11.694 -4.905 1.00 61.21 H new ATOM 0 HA LYS A 52 0.826 13.054 -4.319 1.00 73.42 H new ATOM 0 HB2 LYS A 52 -0.109 11.596 -5.979 1.00 43.14 H new ATOM 0 HB3 LYS A 52 1.371 12.247 -6.654 1.00 43.14 H new ATOM 0 HG2 LYS A 52 2.558 10.145 -6.266 1.00 4.11 H new ATOM 0 HG3 LYS A 52 1.212 9.491 -5.356 1.00 4.11 H new ATOM 0 HD2 LYS A 52 1.219 8.533 -7.621 1.00 73.14 H new ATOM 0 HD3 LYS A 52 -0.213 9.520 -7.404 1.00 73.14 H new ATOM 0 HE2 LYS A 52 0.814 11.369 -8.657 1.00 52.35 H new ATOM 0 HE3 LYS A 52 2.324 10.489 -8.782 1.00 52.35 H new ATOM 0 HZ1 LYS A 52 0.819 10.405 -10.778 1.00 1.04 H new ATOM 0 HZ2 LYS A 52 1.357 8.898 -10.209 1.00 1.04 H new ATOM 0 HZ3 LYS A 52 -0.224 9.418 -9.872 1.00 1.04 H new ATOM 832 N PRO A 53 -0.321 10.928 -3.086 1.00 3.32 N ATOM 833 CA PRO A 53 -0.789 9.816 -2.235 1.00 15.43 C ATOM 834 C PRO A 53 -0.910 8.485 -3.021 1.00 31.11 C ATOM 835 O PRO A 53 -1.673 8.402 -3.998 1.00 23.30 O ATOM 836 CB PRO A 53 -2.168 10.318 -1.709 1.00 54.22 C ATOM 837 CG PRO A 53 -2.307 11.733 -2.218 1.00 1.43 C ATOM 838 CD PRO A 53 -1.466 11.801 -3.458 1.00 32.31 C ATOM 0 HA PRO A 53 -0.092 9.582 -1.430 1.00 15.43 H new ATOM 0 HB2 PRO A 53 -2.979 9.689 -2.074 1.00 54.22 H new ATOM 0 HB3 PRO A 53 -2.207 10.288 -0.620 1.00 54.22 H new ATOM 0 HG2 PRO A 53 -3.348 11.970 -2.437 1.00 1.43 H new ATOM 0 HG3 PRO A 53 -1.966 12.452 -1.473 1.00 1.43 H new ATOM 0 HD2 PRO A 53 -1.997 11.430 -4.335 1.00 32.31 H new ATOM 0 HD3 PRO A 53 -1.149 12.819 -3.684 1.00 32.31 H new ATOM 846 N LEU A 54 -0.153 7.456 -2.596 1.00 12.21 N ATOM 847 CA LEU A 54 -0.214 6.089 -3.180 1.00 20.04 C ATOM 848 C LEU A 54 -0.747 5.093 -2.136 1.00 24.33 C ATOM 849 O LEU A 54 -0.763 5.382 -0.946 1.00 11.40 O ATOM 850 CB LEU A 54 1.193 5.638 -3.695 1.00 40.12 C ATOM 851 CG LEU A 54 1.706 6.328 -5.005 1.00 63.24 C ATOM 852 CD1 LEU A 54 3.168 5.937 -5.339 1.00 64.03 C ATOM 853 CD2 LEU A 54 0.776 6.006 -6.188 1.00 14.23 C ATOM 0 H LEU A 54 0.522 7.542 -1.836 1.00 12.21 H new ATOM 0 HA LEU A 54 -0.895 6.108 -4.031 1.00 20.04 H new ATOM 0 HB2 LEU A 54 1.921 5.820 -2.905 1.00 40.12 H new ATOM 0 HB3 LEU A 54 1.167 4.561 -3.863 1.00 40.12 H new ATOM 0 HG LEU A 54 1.692 7.403 -4.828 1.00 63.24 H new ATOM 0 HD11 LEU A 54 3.479 6.440 -6.255 1.00 64.03 H new ATOM 0 HD12 LEU A 54 3.821 6.238 -4.520 1.00 64.03 H new ATOM 0 HD13 LEU A 54 3.233 4.858 -5.477 1.00 64.03 H new ATOM 0 HD21 LEU A 54 1.150 6.494 -7.088 1.00 14.23 H new ATOM 0 HD22 LEU A 54 0.748 4.928 -6.345 1.00 14.23 H new ATOM 0 HD23 LEU A 54 -0.229 6.367 -5.970 1.00 14.23 H new ATOM 865 N VAL A 55 -1.188 3.914 -2.601 1.00 2.51 N ATOM 866 CA VAL A 55 -1.651 2.811 -1.729 1.00 63.10 C ATOM 867 C VAL A 55 -0.857 1.540 -2.077 1.00 60.42 C ATOM 868 O VAL A 55 -0.989 1.025 -3.185 1.00 34.52 O ATOM 869 CB VAL A 55 -3.205 2.542 -1.889 1.00 41.33 C ATOM 870 CG1 VAL A 55 -3.671 1.387 -0.982 1.00 63.31 C ATOM 871 CG2 VAL A 55 -4.031 3.816 -1.606 1.00 12.24 C ATOM 0 H VAL A 55 -1.236 3.693 -3.596 1.00 2.51 H new ATOM 0 HA VAL A 55 -1.479 3.095 -0.691 1.00 63.10 H new ATOM 0 HB VAL A 55 -3.375 2.251 -2.926 1.00 41.33 H new ATOM 0 HG11 VAL A 55 -4.741 1.228 -1.116 1.00 63.31 H new ATOM 0 HG12 VAL A 55 -3.133 0.477 -1.247 1.00 63.31 H new ATOM 0 HG13 VAL A 55 -3.469 1.638 0.059 1.00 63.31 H new ATOM 0 HG21 VAL A 55 -5.092 3.596 -1.725 1.00 12.24 H new ATOM 0 HG22 VAL A 55 -3.842 4.153 -0.587 1.00 12.24 H new ATOM 0 HG23 VAL A 55 -3.743 4.600 -2.307 1.00 12.24 H new ATOM 881 N VAL A 56 -0.009 1.066 -1.147 1.00 51.13 N ATOM 882 CA VAL A 56 0.829 -0.133 -1.355 1.00 63.41 C ATOM 883 C VAL A 56 0.163 -1.380 -0.770 1.00 72.02 C ATOM 884 O VAL A 56 0.116 -1.557 0.448 1.00 10.05 O ATOM 885 CB VAL A 56 2.257 0.049 -0.722 1.00 32.03 C ATOM 886 CG1 VAL A 56 3.131 -1.224 -0.856 1.00 31.53 C ATOM 887 CG2 VAL A 56 2.948 1.255 -1.358 1.00 44.50 C ATOM 0 H VAL A 56 0.116 1.500 -0.232 1.00 51.13 H new ATOM 0 HA VAL A 56 0.939 -0.263 -2.432 1.00 63.41 H new ATOM 0 HB VAL A 56 2.130 0.224 0.346 1.00 32.03 H new ATOM 0 HG11 VAL A 56 4.106 -1.045 -0.403 1.00 31.53 H new ATOM 0 HG12 VAL A 56 2.642 -2.056 -0.349 1.00 31.53 H new ATOM 0 HG13 VAL A 56 3.260 -1.468 -1.911 1.00 31.53 H new ATOM 0 HG21 VAL A 56 3.938 1.381 -0.919 1.00 44.50 H new ATOM 0 HG22 VAL A 56 3.045 1.094 -2.432 1.00 44.50 H new ATOM 0 HG23 VAL A 56 2.355 2.151 -1.178 1.00 44.50 H new ATOM 897 N PHE A 57 -0.357 -2.225 -1.656 1.00 34.01 N ATOM 898 CA PHE A 57 -0.787 -3.575 -1.311 1.00 64.32 C ATOM 899 C PHE A 57 0.445 -4.502 -1.267 1.00 62.43 C ATOM 900 O PHE A 57 1.039 -4.801 -2.307 1.00 32.04 O ATOM 901 CB PHE A 57 -1.806 -4.071 -2.365 1.00 75.25 C ATOM 902 CG PHE A 57 -3.195 -3.430 -2.289 1.00 72.43 C ATOM 903 CD1 PHE A 57 -3.429 -2.157 -2.803 1.00 51.10 C ATOM 904 CD2 PHE A 57 -4.270 -4.113 -1.714 1.00 13.33 C ATOM 905 CE1 PHE A 57 -4.690 -1.591 -2.743 1.00 21.24 C ATOM 906 CE2 PHE A 57 -5.527 -3.547 -1.655 1.00 42.04 C ATOM 907 CZ PHE A 57 -5.735 -2.286 -2.170 1.00 71.02 C ATOM 0 H PHE A 57 -0.492 -1.990 -2.639 1.00 34.01 H new ATOM 0 HA PHE A 57 -1.266 -3.580 -0.332 1.00 64.32 H new ATOM 0 HB2 PHE A 57 -1.394 -3.889 -3.358 1.00 75.25 H new ATOM 0 HB3 PHE A 57 -1.916 -5.150 -2.259 1.00 75.25 H new ATOM 0 HD1 PHE A 57 -2.617 -1.605 -3.253 1.00 51.10 H new ATOM 0 HD2 PHE A 57 -4.114 -5.102 -1.308 1.00 13.33 H new ATOM 0 HE1 PHE A 57 -4.857 -0.603 -3.146 1.00 21.24 H new ATOM 0 HE2 PHE A 57 -6.345 -4.091 -1.207 1.00 42.04 H new ATOM 0 HZ PHE A 57 -6.718 -1.841 -2.125 1.00 71.02 H new ATOM 917 N VAL A 58 0.854 -4.925 -0.065 1.00 52.24 N ATOM 918 CA VAL A 58 1.938 -5.907 0.096 1.00 63.23 C ATOM 919 C VAL A 58 1.333 -7.328 0.108 1.00 1.45 C ATOM 920 O VAL A 58 0.609 -7.706 1.040 1.00 31.54 O ATOM 921 CB VAL A 58 2.829 -5.629 1.375 1.00 1.22 C ATOM 922 CG1 VAL A 58 3.566 -4.282 1.254 1.00 41.02 C ATOM 923 CG2 VAL A 58 2.032 -5.676 2.688 1.00 25.45 C ATOM 0 H VAL A 58 0.450 -4.602 0.814 1.00 52.24 H new ATOM 0 HA VAL A 58 2.617 -5.814 -0.752 1.00 63.23 H new ATOM 0 HB VAL A 58 3.559 -6.438 1.414 1.00 1.22 H new ATOM 0 HG11 VAL A 58 4.170 -4.117 2.146 1.00 41.02 H new ATOM 0 HG12 VAL A 58 4.212 -4.298 0.376 1.00 41.02 H new ATOM 0 HG13 VAL A 58 2.838 -3.477 1.154 1.00 41.02 H new ATOM 0 HG21 VAL A 58 2.700 -5.478 3.526 1.00 25.45 H new ATOM 0 HG22 VAL A 58 1.246 -4.921 2.664 1.00 25.45 H new ATOM 0 HG23 VAL A 58 1.584 -6.663 2.807 1.00 25.45 H new ATOM 933 N ASN A 59 1.601 -8.100 -0.963 1.00 25.32 N ATOM 934 CA ASN A 59 1.020 -9.447 -1.150 1.00 50.22 C ATOM 935 C ASN A 59 1.706 -10.471 -0.242 1.00 65.52 C ATOM 936 O ASN A 59 2.616 -11.198 -0.670 1.00 54.24 O ATOM 937 CB ASN A 59 1.053 -9.887 -2.640 1.00 15.24 C ATOM 938 CG ASN A 59 0.137 -9.063 -3.547 1.00 24.30 C ATOM 939 OD1 ASN A 59 -0.045 -7.864 -3.347 1.00 14.42 O ATOM 940 ND2 ASN A 59 -0.483 -9.712 -4.518 1.00 11.33 N ATOM 0 H ASN A 59 2.222 -7.812 -1.719 1.00 25.32 H new ATOM 0 HA ASN A 59 -0.029 -9.397 -0.859 1.00 50.22 H new ATOM 0 HB2 ASN A 59 2.076 -9.813 -3.009 1.00 15.24 H new ATOM 0 HB3 ASN A 59 0.766 -10.936 -2.706 1.00 15.24 H new ATOM 0 HD21 ASN A 59 -1.134 -9.217 -5.127 1.00 11.33 H new ATOM 0 HD22 ASN A 59 -0.310 -10.707 -4.658 1.00 11.33 H new ATOM 947 N GLY A 60 1.258 -10.487 1.032 1.00 34.45 N ATOM 948 CA GLY A 60 1.813 -11.359 2.060 1.00 75.14 C ATOM 949 C GLY A 60 3.308 -11.157 2.274 1.00 13.14 C ATOM 950 O GLY A 60 4.033 -12.116 2.564 1.00 50.34 O ATOM 0 H GLY A 60 0.500 -9.891 1.365 1.00 34.45 H new ATOM 0 HA2 GLY A 60 1.290 -11.181 3.000 1.00 75.14 H new ATOM 0 HA3 GLY A 60 1.629 -12.398 1.785 1.00 75.14 H new ATOM 954 N ALA A 61 3.773 -9.904 2.083 1.00 75.44 N ATOM 955 CA ALA A 61 5.199 -9.560 2.222 1.00 61.24 C ATOM 956 C ALA A 61 5.661 -9.796 3.668 1.00 24.13 C ATOM 957 O ALA A 61 4.909 -9.503 4.610 1.00 1.41 O ATOM 958 CB ALA A 61 5.470 -8.115 1.783 1.00 61.33 C ATOM 0 H ALA A 61 3.178 -9.115 1.832 1.00 75.44 H new ATOM 0 HA ALA A 61 5.775 -10.211 1.564 1.00 61.24 H new ATOM 0 HB1 ALA A 61 6.531 -7.893 1.898 1.00 61.33 H new ATOM 0 HB2 ALA A 61 5.185 -7.993 0.738 1.00 61.33 H new ATOM 0 HB3 ALA A 61 4.887 -7.432 2.401 1.00 61.33 H new ATOM 964 N SER A 62 6.878 -10.335 3.819 1.00 65.21 N ATOM 965 CA SER A 62 7.420 -10.760 5.115 1.00 3.03 C ATOM 966 C SER A 62 7.671 -9.542 6.027 1.00 62.02 C ATOM 967 O SER A 62 7.730 -8.403 5.543 1.00 74.33 O ATOM 968 CB SER A 62 8.719 -11.567 4.889 1.00 64.41 C ATOM 969 OG SER A 62 9.159 -12.195 6.080 1.00 2.34 O ATOM 0 H SER A 62 7.518 -10.489 3.040 1.00 65.21 H new ATOM 0 HA SER A 62 6.693 -11.399 5.617 1.00 3.03 H new ATOM 0 HB2 SER A 62 8.550 -12.322 4.121 1.00 64.41 H new ATOM 0 HB3 SER A 62 9.500 -10.903 4.518 1.00 64.41 H new ATOM 0 HG SER A 62 9.981 -12.698 5.900 1.00 2.34 H new ATOM 975 N GLN A 63 7.822 -9.801 7.337 1.00 11.33 N ATOM 976 CA GLN A 63 7.987 -8.752 8.358 1.00 75.35 C ATOM 977 C GLN A 63 9.202 -7.843 8.054 1.00 62.42 C ATOM 978 O GLN A 63 9.131 -6.645 8.279 1.00 14.42 O ATOM 979 CB GLN A 63 8.096 -9.396 9.772 1.00 31.24 C ATOM 980 CG GLN A 63 8.309 -8.407 10.947 1.00 44.24 C ATOM 981 CD GLN A 63 7.220 -7.337 11.097 1.00 61.20 C ATOM 982 OE1 GLN A 63 6.054 -7.547 10.759 1.00 52.10 O ATOM 983 NE2 GLN A 63 7.595 -6.184 11.609 1.00 42.52 N ATOM 0 H GLN A 63 7.833 -10.747 7.719 1.00 11.33 H new ATOM 0 HA GLN A 63 7.104 -8.113 8.336 1.00 75.35 H new ATOM 0 HB2 GLN A 63 7.187 -9.967 9.962 1.00 31.24 H new ATOM 0 HB3 GLN A 63 8.923 -10.106 9.765 1.00 31.24 H new ATOM 0 HG2 GLN A 63 8.369 -8.976 11.875 1.00 44.24 H new ATOM 0 HG3 GLN A 63 9.270 -7.910 10.815 1.00 44.24 H new ATOM 0 HE21 GLN A 63 8.568 -6.038 11.880 1.00 42.52 H new ATOM 0 HE22 GLN A 63 6.913 -5.436 11.735 1.00 42.52 H new ATOM 992 N ASN A 64 10.292 -8.429 7.506 1.00 42.22 N ATOM 993 CA ASN A 64 11.491 -7.665 7.066 1.00 0.22 C ATOM 994 C ASN A 64 11.142 -6.661 5.947 1.00 53.22 C ATOM 995 O ASN A 64 11.621 -5.531 5.979 1.00 3.12 O ATOM 996 CB ASN A 64 12.638 -8.610 6.601 1.00 64.23 C ATOM 997 CG ASN A 64 13.308 -9.376 7.753 1.00 12.44 C ATOM 998 OD1 ASN A 64 12.695 -9.647 8.787 1.00 11.51 O ATOM 999 ND2 ASN A 64 14.574 -9.742 7.575 1.00 11.34 N ATOM 0 H ASN A 64 10.369 -9.435 7.356 1.00 42.22 H new ATOM 0 HA ASN A 64 11.843 -7.106 7.933 1.00 0.22 H new ATOM 0 HB2 ASN A 64 12.239 -9.326 5.883 1.00 64.23 H new ATOM 0 HB3 ASN A 64 13.393 -8.022 6.079 1.00 64.23 H new ATOM 0 HD21 ASN A 64 15.062 -10.261 8.305 1.00 11.34 H new ATOM 0 HD22 ASN A 64 15.057 -9.504 6.709 1.00 11.34 H new ATOM 1006 N ASP A 65 10.285 -7.083 4.988 1.00 53.43 N ATOM 1007 CA ASP A 65 9.831 -6.209 3.868 1.00 34.15 C ATOM 1008 C ASP A 65 8.997 -5.030 4.400 1.00 53.42 C ATOM 1009 O ASP A 65 9.114 -3.889 3.917 1.00 75.33 O ATOM 1010 CB ASP A 65 8.991 -7.007 2.832 1.00 45.04 C ATOM 1011 CG ASP A 65 9.742 -8.199 2.224 1.00 5.54 C ATOM 1012 OD1 ASP A 65 10.823 -7.985 1.651 1.00 0.04 O ATOM 1013 OD2 ASP A 65 9.259 -9.352 2.313 1.00 1.21 O ATOM 0 H ASP A 65 9.891 -8.023 4.963 1.00 53.43 H new ATOM 0 HA ASP A 65 10.724 -5.826 3.374 1.00 34.15 H new ATOM 0 HB2 ASP A 65 8.082 -7.368 3.313 1.00 45.04 H new ATOM 0 HB3 ASP A 65 8.683 -6.335 2.031 1.00 45.04 H new ATOM 1018 N VAL A 66 8.164 -5.335 5.407 1.00 51.24 N ATOM 1019 CA VAL A 66 7.331 -4.344 6.103 1.00 22.30 C ATOM 1020 C VAL A 66 8.220 -3.344 6.870 1.00 74.10 C ATOM 1021 O VAL A 66 7.986 -2.135 6.821 1.00 20.52 O ATOM 1022 CB VAL A 66 6.319 -5.034 7.092 1.00 42.20 C ATOM 1023 CG1 VAL A 66 5.475 -3.984 7.845 1.00 10.23 C ATOM 1024 CG2 VAL A 66 5.421 -6.045 6.340 1.00 71.13 C ATOM 0 H VAL A 66 8.049 -6.284 5.763 1.00 51.24 H new ATOM 0 HA VAL A 66 6.753 -3.808 5.350 1.00 22.30 H new ATOM 0 HB VAL A 66 6.894 -5.586 7.835 1.00 42.20 H new ATOM 0 HG11 VAL A 66 4.785 -4.489 8.521 1.00 10.23 H new ATOM 0 HG12 VAL A 66 6.133 -3.332 8.419 1.00 10.23 H new ATOM 0 HG13 VAL A 66 4.910 -3.389 7.128 1.00 10.23 H new ATOM 0 HG21 VAL A 66 4.729 -6.510 7.042 1.00 71.13 H new ATOM 0 HG22 VAL A 66 4.857 -5.525 5.566 1.00 71.13 H new ATOM 0 HG23 VAL A 66 6.043 -6.813 5.881 1.00 71.13 H new ATOM 1034 N ASN A 67 9.253 -3.881 7.553 1.00 10.25 N ATOM 1035 CA ASN A 67 10.232 -3.077 8.324 1.00 60.24 C ATOM 1036 C ASN A 67 10.945 -2.091 7.398 1.00 23.10 C ATOM 1037 O ASN A 67 11.020 -0.903 7.692 1.00 62.21 O ATOM 1038 CB ASN A 67 11.278 -3.984 9.052 1.00 53.14 C ATOM 1039 CG ASN A 67 10.684 -4.831 10.176 1.00 54.24 C ATOM 1040 OD1 ASN A 67 9.714 -4.443 10.828 1.00 22.34 O ATOM 1041 ND2 ASN A 67 11.270 -5.997 10.402 1.00 74.03 N ATOM 0 H ASN A 67 9.434 -4.884 7.587 1.00 10.25 H new ATOM 0 HA ASN A 67 9.683 -2.525 9.087 1.00 60.24 H new ATOM 0 HB2 ASN A 67 11.744 -4.644 8.320 1.00 53.14 H new ATOM 0 HB3 ASN A 67 12.067 -3.354 9.463 1.00 53.14 H new ATOM 0 HD21 ASN A 67 10.920 -6.610 11.138 1.00 74.03 H new ATOM 0 HD22 ASN A 67 12.072 -6.282 9.840 1.00 74.03 H new ATOM 1048 N GLU A 68 11.399 -2.606 6.249 1.00 45.14 N ATOM 1049 CA GLU A 68 12.089 -1.818 5.212 1.00 74.44 C ATOM 1050 C GLU A 68 11.207 -0.705 4.649 1.00 33.35 C ATOM 1051 O GLU A 68 11.695 0.389 4.355 1.00 53.42 O ATOM 1052 CB GLU A 68 12.563 -2.751 4.069 1.00 61.33 C ATOM 1053 CG GLU A 68 13.707 -3.699 4.464 1.00 73.40 C ATOM 1054 CD GLU A 68 14.999 -2.959 4.842 1.00 42.10 C ATOM 1055 OE1 GLU A 68 15.768 -2.593 3.925 1.00 65.22 O ATOM 1056 OE2 GLU A 68 15.255 -2.742 6.055 1.00 63.02 O ATOM 0 H GLU A 68 11.298 -3.592 6.007 1.00 45.14 H new ATOM 0 HA GLU A 68 12.951 -1.343 5.681 1.00 74.44 H new ATOM 0 HB2 GLU A 68 11.716 -3.345 3.725 1.00 61.33 H new ATOM 0 HB3 GLU A 68 12.887 -2.140 3.227 1.00 61.33 H new ATOM 0 HG2 GLU A 68 13.388 -4.313 5.306 1.00 73.40 H new ATOM 0 HG3 GLU A 68 13.912 -4.376 3.635 1.00 73.40 H new ATOM 1063 N PHE A 69 9.905 -0.999 4.509 1.00 42.41 N ATOM 1064 CA PHE A 69 8.927 -0.016 4.023 1.00 75.53 C ATOM 1065 C PHE A 69 8.807 1.147 5.016 1.00 4.21 C ATOM 1066 O PHE A 69 8.843 2.315 4.629 1.00 63.13 O ATOM 1067 CB PHE A 69 7.539 -0.669 3.790 1.00 14.24 C ATOM 1068 CG PHE A 69 6.543 0.266 3.101 1.00 3.52 C ATOM 1069 CD1 PHE A 69 6.532 0.386 1.715 1.00 21.32 C ATOM 1070 CD2 PHE A 69 5.643 1.038 3.837 1.00 32.24 C ATOM 1071 CE1 PHE A 69 5.654 1.236 1.086 1.00 15.11 C ATOM 1072 CE2 PHE A 69 4.765 1.890 3.208 1.00 14.30 C ATOM 1073 CZ PHE A 69 4.770 1.987 1.832 1.00 74.33 C ATOM 0 H PHE A 69 9.505 -1.912 4.726 1.00 42.41 H new ATOM 0 HA PHE A 69 9.282 0.367 3.066 1.00 75.53 H new ATOM 0 HB2 PHE A 69 7.664 -1.567 3.185 1.00 14.24 H new ATOM 0 HB3 PHE A 69 7.128 -0.985 4.749 1.00 14.24 H new ATOM 0 HD1 PHE A 69 7.223 -0.197 1.125 1.00 21.32 H new ATOM 0 HD2 PHE A 69 5.636 0.966 4.915 1.00 32.24 H new ATOM 0 HE1 PHE A 69 5.656 1.316 0.009 1.00 15.11 H new ATOM 0 HE2 PHE A 69 4.074 2.481 3.790 1.00 14.30 H new ATOM 0 HZ PHE A 69 4.079 2.653 1.337 1.00 74.33 H new ATOM 1083 N GLN A 70 8.694 0.792 6.301 1.00 2.34 N ATOM 1084 CA GLN A 70 8.509 1.756 7.397 1.00 42.44 C ATOM 1085 C GLN A 70 9.789 2.583 7.631 1.00 53.13 C ATOM 1086 O GLN A 70 9.699 3.775 7.923 1.00 3.24 O ATOM 1087 CB GLN A 70 8.091 1.015 8.691 1.00 73.55 C ATOM 1088 CG GLN A 70 6.783 0.216 8.558 1.00 22.14 C ATOM 1089 CD GLN A 70 6.449 -0.565 9.824 1.00 50.21 C ATOM 1090 OE1 GLN A 70 5.757 -0.062 10.706 1.00 60.40 O ATOM 1091 NE2 GLN A 70 6.968 -1.781 9.934 1.00 0.52 N ATOM 0 H GLN A 70 8.728 -0.178 6.614 1.00 2.34 H new ATOM 0 HA GLN A 70 7.715 2.448 7.116 1.00 42.44 H new ATOM 0 HB2 GLN A 70 8.892 0.336 8.984 1.00 73.55 H new ATOM 0 HB3 GLN A 70 7.980 1.743 9.495 1.00 73.55 H new ATOM 0 HG2 GLN A 70 5.965 0.899 8.329 1.00 22.14 H new ATOM 0 HG3 GLN A 70 6.866 -0.475 7.719 1.00 22.14 H new ATOM 0 HE21 GLN A 70 7.537 -2.163 9.179 1.00 0.52 H new ATOM 0 HE22 GLN A 70 6.798 -2.334 10.774 1.00 0.52 H new ATOM 1100 N ASN A 71 10.969 1.933 7.475 1.00 20.11 N ATOM 1101 CA ASN A 71 12.295 2.571 7.675 1.00 72.32 C ATOM 1102 C ASN A 71 12.543 3.618 6.590 1.00 62.42 C ATOM 1103 O ASN A 71 12.751 4.801 6.889 1.00 72.53 O ATOM 1104 CB ASN A 71 13.446 1.512 7.665 1.00 14.52 C ATOM 1105 CG ASN A 71 13.419 0.554 8.855 1.00 50.41 C ATOM 1106 OD1 ASN A 71 12.988 0.905 9.952 1.00 74.50 O ATOM 1107 ND2 ASN A 71 13.868 -0.674 8.636 1.00 1.44 N ATOM 0 H ASN A 71 11.028 0.951 7.207 1.00 20.11 H new ATOM 0 HA ASN A 71 12.289 3.055 8.652 1.00 72.32 H new ATOM 0 HB2 ASN A 71 13.385 0.933 6.744 1.00 14.52 H new ATOM 0 HB3 ASN A 71 14.404 2.032 7.652 1.00 14.52 H new ATOM 0 HD21 ASN A 71 13.863 -1.361 9.390 1.00 1.44 H new ATOM 0 HD22 ASN A 71 14.219 -0.932 7.714 1.00 1.44 H new ATOM 1114 N GLU A 72 12.480 3.162 5.326 1.00 13.03 N ATOM 1115 CA GLU A 72 12.702 4.015 4.149 1.00 44.03 C ATOM 1116 C GLU A 72 11.665 5.138 4.060 1.00 51.01 C ATOM 1117 O GLU A 72 11.976 6.220 3.592 1.00 31.20 O ATOM 1118 CB GLU A 72 12.695 3.184 2.846 1.00 42.32 C ATOM 1119 CG GLU A 72 13.853 2.188 2.700 1.00 61.13 C ATOM 1120 CD GLU A 72 15.229 2.865 2.546 1.00 41.41 C ATOM 1121 OE1 GLU A 72 15.505 3.397 1.448 1.00 44.52 O ATOM 1122 OE2 GLU A 72 16.044 2.849 3.505 1.00 10.14 O ATOM 0 H GLU A 72 12.273 2.190 5.094 1.00 13.03 H new ATOM 0 HA GLU A 72 13.686 4.469 4.268 1.00 44.03 H new ATOM 0 HB2 GLU A 72 11.755 2.635 2.789 1.00 42.32 H new ATOM 0 HB3 GLU A 72 12.716 3.868 1.998 1.00 42.32 H new ATOM 0 HG2 GLU A 72 13.873 1.536 3.573 1.00 61.13 H new ATOM 0 HG3 GLU A 72 13.670 1.554 1.833 1.00 61.13 H new ATOM 1129 N ALA A 73 10.433 4.882 4.514 1.00 5.22 N ATOM 1130 CA ALA A 73 9.389 5.909 4.514 1.00 52.21 C ATOM 1131 C ALA A 73 9.688 7.006 5.551 1.00 63.34 C ATOM 1132 O ALA A 73 9.770 8.191 5.204 1.00 74.34 O ATOM 1133 CB ALA A 73 8.010 5.283 4.739 1.00 52.54 C ATOM 0 H ALA A 73 10.137 3.978 4.883 1.00 5.22 H new ATOM 0 HA ALA A 73 9.381 6.384 3.533 1.00 52.21 H new ATOM 0 HB1 ALA A 73 7.250 6.065 4.735 1.00 52.54 H new ATOM 0 HB2 ALA A 73 7.800 4.569 3.942 1.00 52.54 H new ATOM 0 HB3 ALA A 73 7.996 4.769 5.700 1.00 52.54 H new ATOM 1139 N LYS A 74 9.927 6.597 6.815 1.00 50.32 N ATOM 1140 CA LYS A 74 10.059 7.547 7.954 1.00 34.40 C ATOM 1141 C LYS A 74 11.312 8.440 7.825 1.00 42.15 C ATOM 1142 O LYS A 74 11.272 9.627 8.177 1.00 72.21 O ATOM 1143 CB LYS A 74 10.050 6.800 9.324 1.00 42.23 C ATOM 1144 CG LYS A 74 11.289 5.921 9.622 1.00 61.42 C ATOM 1145 CD LYS A 74 11.205 5.097 10.937 1.00 71.44 C ATOM 1146 CE LYS A 74 11.256 5.950 12.221 1.00 15.34 C ATOM 1147 NZ LYS A 74 9.996 6.708 12.489 1.00 5.34 N ATOM 0 H LYS A 74 10.033 5.617 7.078 1.00 50.32 H new ATOM 0 HA LYS A 74 9.188 8.201 7.918 1.00 34.40 H new ATOM 0 HB2 LYS A 74 9.954 7.540 10.119 1.00 42.23 H new ATOM 0 HB3 LYS A 74 9.162 6.169 9.366 1.00 42.23 H new ATOM 0 HG2 LYS A 74 11.438 5.234 8.789 1.00 61.42 H new ATOM 0 HG3 LYS A 74 12.169 6.562 9.668 1.00 61.42 H new ATOM 0 HD2 LYS A 74 10.280 4.521 10.933 1.00 71.44 H new ATOM 0 HD3 LYS A 74 12.026 4.381 10.957 1.00 71.44 H new ATOM 0 HE2 LYS A 74 11.466 5.300 13.070 1.00 15.34 H new ATOM 0 HE3 LYS A 74 12.084 6.654 12.146 1.00 15.34 H new ATOM 0 HZ1 LYS A 74 10.155 7.720 12.311 1.00 5.34 H new ATOM 0 HZ2 LYS A 74 9.242 6.361 11.863 1.00 5.34 H new ATOM 0 HZ3 LYS A 74 9.713 6.571 13.480 1.00 5.34 H new ATOM 1161 N LYS A 75 12.411 7.871 7.293 1.00 2.23 N ATOM 1162 CA LYS A 75 13.705 8.585 7.151 1.00 13.55 C ATOM 1163 C LYS A 75 13.639 9.638 6.023 1.00 21.45 C ATOM 1164 O LYS A 75 14.190 10.733 6.156 1.00 51.40 O ATOM 1165 CB LYS A 75 14.866 7.580 6.898 1.00 33.12 C ATOM 1166 CG LYS A 75 14.791 6.839 5.552 1.00 42.03 C ATOM 1167 CD LYS A 75 15.908 5.797 5.333 1.00 64.32 C ATOM 1168 CE LYS A 75 17.321 6.400 5.302 1.00 41.34 C ATOM 1169 NZ LYS A 75 18.346 5.376 4.932 1.00 60.01 N ATOM 0 H LYS A 75 12.433 6.911 6.950 1.00 2.23 H new ATOM 0 HA LYS A 75 13.903 9.107 8.087 1.00 13.55 H new ATOM 0 HB2 LYS A 75 15.812 8.118 6.949 1.00 33.12 H new ATOM 0 HB3 LYS A 75 14.874 6.845 7.702 1.00 33.12 H new ATOM 0 HG2 LYS A 75 13.825 6.339 5.480 1.00 42.03 H new ATOM 0 HG3 LYS A 75 14.831 7.571 4.746 1.00 42.03 H new ATOM 0 HD2 LYS A 75 15.858 5.052 6.127 1.00 64.32 H new ATOM 0 HD3 LYS A 75 15.725 5.274 4.394 1.00 64.32 H new ATOM 0 HE2 LYS A 75 17.351 7.222 4.587 1.00 41.34 H new ATOM 0 HE3 LYS A 75 17.560 6.819 6.279 1.00 41.34 H new ATOM 0 HZ1 LYS A 75 19.288 5.816 4.920 1.00 60.01 H new ATOM 0 HZ2 LYS A 75 18.333 4.604 5.629 1.00 60.01 H new ATOM 0 HZ3 LYS A 75 18.131 4.994 3.989 1.00 60.01 H new ATOM 1183 N GLU A 76 12.938 9.295 4.928 1.00 21.13 N ATOM 1184 CA GLU A 76 12.796 10.167 3.744 1.00 43.53 C ATOM 1185 C GLU A 76 11.664 11.194 3.925 1.00 12.31 C ATOM 1186 O GLU A 76 11.527 12.120 3.109 1.00 42.22 O ATOM 1187 CB GLU A 76 12.540 9.302 2.483 1.00 4.54 C ATOM 1188 CG GLU A 76 13.632 8.252 2.162 1.00 61.45 C ATOM 1189 CD GLU A 76 15.033 8.837 1.947 1.00 12.40 C ATOM 1190 OE1 GLU A 76 15.341 9.271 0.816 1.00 5.21 O ATOM 1191 OE2 GLU A 76 15.844 8.858 2.899 1.00 63.15 O ATOM 0 H GLU A 76 12.452 8.403 4.837 1.00 21.13 H new ATOM 0 HA GLU A 76 13.726 10.723 3.622 1.00 43.53 H new ATOM 0 HB2 GLU A 76 11.588 8.785 2.605 1.00 4.54 H new ATOM 0 HB3 GLU A 76 12.434 9.965 1.624 1.00 4.54 H new ATOM 0 HG2 GLU A 76 13.675 7.530 2.977 1.00 61.45 H new ATOM 0 HG3 GLU A 76 13.339 7.704 1.266 1.00 61.45 H new ATOM 1198 N GLY A 77 10.857 11.007 4.985 1.00 55.14 N ATOM 1199 CA GLY A 77 9.765 11.926 5.325 1.00 0.22 C ATOM 1200 C GLY A 77 8.432 11.548 4.681 1.00 12.53 C ATOM 1201 O GLY A 77 7.483 12.339 4.710 1.00 63.31 O ATOM 0 H GLY A 77 10.946 10.218 5.625 1.00 55.14 H new ATOM 0 HA2 GLY A 77 9.643 11.949 6.408 1.00 0.22 H new ATOM 0 HA3 GLY A 77 10.038 12.934 5.013 1.00 0.22 H new ATOM 1205 N VAL A 78 8.369 10.347 4.087 1.00 0.02 N ATOM 1206 CA VAL A 78 7.137 9.798 3.500 1.00 72.22 C ATOM 1207 C VAL A 78 6.176 9.357 4.636 1.00 2.02 C ATOM 1208 O VAL A 78 6.489 8.435 5.399 1.00 3.23 O ATOM 1209 CB VAL A 78 7.457 8.594 2.531 1.00 3.00 C ATOM 1210 CG1 VAL A 78 6.174 8.023 1.889 1.00 11.22 C ATOM 1211 CG2 VAL A 78 8.491 9.014 1.460 1.00 44.42 C ATOM 0 H VAL A 78 9.174 9.727 4.000 1.00 0.02 H new ATOM 0 HA VAL A 78 6.653 10.573 2.905 1.00 72.22 H new ATOM 0 HB VAL A 78 7.897 7.794 3.126 1.00 3.00 H new ATOM 0 HG11 VAL A 78 6.435 7.196 1.229 1.00 11.22 H new ATOM 0 HG12 VAL A 78 5.504 7.666 2.671 1.00 11.22 H new ATOM 0 HG13 VAL A 78 5.676 8.804 1.314 1.00 11.22 H new ATOM 0 HG21 VAL A 78 8.697 8.169 0.803 1.00 44.42 H new ATOM 0 HG22 VAL A 78 8.092 9.841 0.873 1.00 44.42 H new ATOM 0 HG23 VAL A 78 9.414 9.328 1.948 1.00 44.42 H new ATOM 1221 N SER A 79 5.027 10.052 4.743 1.00 54.25 N ATOM 1222 CA SER A 79 3.990 9.787 5.749 1.00 23.44 C ATOM 1223 C SER A 79 3.262 8.466 5.436 1.00 3.21 C ATOM 1224 O SER A 79 2.318 8.435 4.652 1.00 64.23 O ATOM 1225 CB SER A 79 3.004 10.976 5.787 1.00 21.14 C ATOM 1226 OG SER A 79 1.928 10.760 6.690 1.00 13.54 O ATOM 0 H SER A 79 4.793 10.825 4.121 1.00 54.25 H new ATOM 0 HA SER A 79 4.450 9.682 6.731 1.00 23.44 H new ATOM 0 HB2 SER A 79 3.540 11.880 6.075 1.00 21.14 H new ATOM 0 HB3 SER A 79 2.606 11.147 4.787 1.00 21.14 H new ATOM 0 HG SER A 79 1.522 11.620 6.927 1.00 13.54 H new ATOM 1232 N TYR A 80 3.740 7.374 6.026 1.00 44.03 N ATOM 1233 CA TYR A 80 3.172 6.037 5.810 1.00 51.10 C ATOM 1234 C TYR A 80 2.097 5.740 6.869 1.00 52.14 C ATOM 1235 O TYR A 80 2.227 6.153 8.024 1.00 42.31 O ATOM 1236 CB TYR A 80 4.294 4.963 5.815 1.00 22.40 C ATOM 1237 CG TYR A 80 5.014 4.777 7.163 1.00 52.04 C ATOM 1238 CD1 TYR A 80 6.001 5.673 7.593 1.00 14.53 C ATOM 1239 CD2 TYR A 80 4.706 3.712 8.011 1.00 60.21 C ATOM 1240 CE1 TYR A 80 6.642 5.509 8.799 1.00 11.11 C ATOM 1241 CE2 TYR A 80 5.353 3.550 9.222 1.00 64.12 C ATOM 1242 CZ TYR A 80 6.316 4.453 9.610 1.00 33.11 C ATOM 1243 OH TYR A 80 6.963 4.296 10.816 1.00 32.45 O ATOM 0 H TYR A 80 4.532 7.386 6.668 1.00 44.03 H new ATOM 0 HA TYR A 80 2.693 6.007 4.831 1.00 51.10 H new ATOM 0 HB2 TYR A 80 3.862 4.008 5.516 1.00 22.40 H new ATOM 0 HB3 TYR A 80 5.033 5.229 5.059 1.00 22.40 H new ATOM 0 HD1 TYR A 80 6.264 6.511 6.964 1.00 14.53 H new ATOM 0 HD2 TYR A 80 3.948 3.001 7.716 1.00 60.21 H new ATOM 0 HE1 TYR A 80 7.402 6.212 9.107 1.00 11.11 H new ATOM 0 HE2 TYR A 80 5.103 2.717 9.862 1.00 64.12 H new ATOM 0 HH TYR A 80 6.617 3.501 11.272 1.00 32.45 H new ATOM 1253 N ASP A 81 1.030 5.043 6.459 1.00 25.33 N ATOM 1254 CA ASP A 81 -0.042 4.583 7.366 1.00 1.13 C ATOM 1255 C ASP A 81 -0.055 3.057 7.331 1.00 71.01 C ATOM 1256 O ASP A 81 -0.252 2.477 6.265 1.00 62.01 O ATOM 1257 CB ASP A 81 -1.432 5.118 6.914 1.00 33.13 C ATOM 1258 CG ASP A 81 -1.487 6.646 6.777 1.00 41.21 C ATOM 1259 OD1 ASP A 81 -1.455 7.356 7.810 1.00 11.54 O ATOM 1260 OD2 ASP A 81 -1.562 7.151 5.635 1.00 24.33 O ATOM 0 H ASP A 81 0.880 4.778 5.485 1.00 25.33 H new ATOM 0 HA ASP A 81 0.149 4.957 8.372 1.00 1.13 H new ATOM 0 HB2 ASP A 81 -1.692 4.666 5.957 1.00 33.13 H new ATOM 0 HB3 ASP A 81 -2.186 4.799 7.633 1.00 33.13 H new ATOM 1265 N VAL A 82 0.133 2.408 8.488 1.00 22.02 N ATOM 1266 CA VAL A 82 0.191 0.932 8.555 1.00 43.33 C ATOM 1267 C VAL A 82 -1.219 0.369 8.812 1.00 21.32 C ATOM 1268 O VAL A 82 -1.853 0.689 9.818 1.00 5.13 O ATOM 1269 CB VAL A 82 1.215 0.405 9.641 1.00 25.41 C ATOM 1270 CG1 VAL A 82 1.303 -1.138 9.594 1.00 72.43 C ATOM 1271 CG2 VAL A 82 2.608 1.050 9.437 1.00 15.11 C ATOM 0 H VAL A 82 0.247 2.874 9.388 1.00 22.02 H new ATOM 0 HA VAL A 82 0.558 0.575 7.593 1.00 43.33 H new ATOM 0 HB VAL A 82 0.855 0.694 10.628 1.00 25.41 H new ATOM 0 HG11 VAL A 82 2.011 -1.485 10.346 1.00 72.43 H new ATOM 0 HG12 VAL A 82 0.321 -1.565 9.796 1.00 72.43 H new ATOM 0 HG13 VAL A 82 1.640 -1.453 8.606 1.00 72.43 H new ATOM 0 HG21 VAL A 82 3.297 0.675 10.194 1.00 15.11 H new ATOM 0 HG22 VAL A 82 2.984 0.797 8.446 1.00 15.11 H new ATOM 0 HG23 VAL A 82 2.524 2.133 9.528 1.00 15.11 H new ATOM 1281 N LEU A 83 -1.695 -0.460 7.876 1.00 63.45 N ATOM 1282 CA LEU A 83 -3.034 -1.063 7.910 1.00 54.10 C ATOM 1283 C LEU A 83 -2.886 -2.587 7.836 1.00 34.40 C ATOM 1284 O LEU A 83 -2.119 -3.087 7.021 1.00 62.13 O ATOM 1285 CB LEU A 83 -3.871 -0.540 6.703 1.00 72.41 C ATOM 1286 CG LEU A 83 -5.324 -1.092 6.568 1.00 5.21 C ATOM 1287 CD1 LEU A 83 -6.226 -0.633 7.733 1.00 51.24 C ATOM 1288 CD2 LEU A 83 -5.929 -0.715 5.195 1.00 54.13 C ATOM 0 H LEU A 83 -1.151 -0.736 7.058 1.00 63.45 H new ATOM 0 HA LEU A 83 -3.548 -0.792 8.832 1.00 54.10 H new ATOM 0 HB2 LEU A 83 -3.924 0.547 6.771 1.00 72.41 H new ATOM 0 HB3 LEU A 83 -3.331 -0.776 5.786 1.00 72.41 H new ATOM 0 HG LEU A 83 -5.270 -2.179 6.624 1.00 5.21 H new ATOM 0 HD11 LEU A 83 -7.228 -1.040 7.599 1.00 51.24 H new ATOM 0 HD12 LEU A 83 -5.812 -0.990 8.676 1.00 51.24 H new ATOM 0 HD13 LEU A 83 -6.275 0.456 7.748 1.00 51.24 H new ATOM 0 HD21 LEU A 83 -6.942 -1.110 5.123 1.00 54.13 H new ATOM 0 HD22 LEU A 83 -5.955 0.370 5.094 1.00 54.13 H new ATOM 0 HD23 LEU A 83 -5.317 -1.139 4.399 1.00 54.13 H new ATOM 1300 N LYS A 84 -3.579 -3.308 8.722 1.00 15.03 N ATOM 1301 CA LYS A 84 -3.654 -4.782 8.701 1.00 62.13 C ATOM 1302 C LYS A 84 -5.133 -5.177 8.699 1.00 24.30 C ATOM 1303 O LYS A 84 -5.812 -4.997 9.718 1.00 32.43 O ATOM 1304 CB LYS A 84 -2.912 -5.427 9.921 1.00 64.21 C ATOM 1305 CG LYS A 84 -1.370 -5.503 9.808 1.00 22.44 C ATOM 1306 CD LYS A 84 -0.623 -4.176 10.060 1.00 31.25 C ATOM 1307 CE LYS A 84 -0.506 -3.783 11.548 1.00 22.14 C ATOM 1308 NZ LYS A 84 -1.811 -3.502 12.199 1.00 30.04 N ATOM 0 H LYS A 84 -4.111 -2.886 9.483 1.00 15.03 H new ATOM 0 HA LYS A 84 -3.155 -5.154 7.806 1.00 62.13 H new ATOM 0 HB2 LYS A 84 -3.164 -4.860 10.817 1.00 64.21 H new ATOM 0 HB3 LYS A 84 -3.297 -6.437 10.064 1.00 64.21 H new ATOM 0 HG2 LYS A 84 -1.007 -6.246 10.518 1.00 22.44 H new ATOM 0 HG3 LYS A 84 -1.113 -5.862 8.812 1.00 22.44 H new ATOM 0 HD2 LYS A 84 0.379 -4.251 9.637 1.00 31.25 H new ATOM 0 HD3 LYS A 84 -1.136 -3.377 9.525 1.00 31.25 H new ATOM 0 HE2 LYS A 84 -0.007 -4.587 12.088 1.00 22.14 H new ATOM 0 HE3 LYS A 84 0.129 -2.901 11.632 1.00 22.14 H new ATOM 0 HZ1 LYS A 84 -1.668 -2.851 12.997 1.00 30.04 H new ATOM 0 HZ2 LYS A 84 -2.457 -3.067 11.509 1.00 30.04 H new ATOM 0 HZ3 LYS A 84 -2.224 -4.391 12.547 1.00 30.04 H new ATOM 1322 N SER A 85 -5.632 -5.685 7.559 1.00 74.22 N ATOM 1323 CA SER A 85 -7.055 -6.041 7.383 1.00 72.24 C ATOM 1324 C SER A 85 -7.198 -7.135 6.311 1.00 15.43 C ATOM 1325 O SER A 85 -6.611 -7.019 5.233 1.00 73.12 O ATOM 1326 CB SER A 85 -7.877 -4.793 6.961 1.00 1.30 C ATOM 1327 OG SER A 85 -7.788 -3.750 7.911 1.00 33.32 O ATOM 0 H SER A 85 -5.062 -5.861 6.732 1.00 74.22 H new ATOM 0 HA SER A 85 -7.436 -6.414 8.333 1.00 72.24 H new ATOM 0 HB2 SER A 85 -7.520 -4.434 5.995 1.00 1.30 H new ATOM 0 HB3 SER A 85 -8.922 -5.075 6.830 1.00 1.30 H new ATOM 0 HG SER A 85 -8.661 -3.313 7.999 1.00 33.32 H new ATOM 1333 N THR A 86 -7.981 -8.187 6.614 1.00 62.35 N ATOM 1334 CA THR A 86 -8.250 -9.293 5.675 1.00 74.43 C ATOM 1335 C THR A 86 -9.673 -9.214 5.086 1.00 13.24 C ATOM 1336 O THR A 86 -9.986 -9.954 4.145 1.00 40.02 O ATOM 1337 CB THR A 86 -8.021 -10.671 6.378 1.00 45.12 C ATOM 1338 OG1 THR A 86 -8.746 -10.715 7.614 1.00 4.31 O ATOM 1339 CG2 THR A 86 -6.531 -10.941 6.658 1.00 60.00 C ATOM 0 H THR A 86 -8.445 -8.295 7.516 1.00 62.35 H new ATOM 0 HA THR A 86 -7.550 -9.198 4.845 1.00 74.43 H new ATOM 0 HB THR A 86 -8.382 -11.443 5.698 1.00 45.12 H new ATOM 0 HG1 THR A 86 -8.600 -11.581 8.048 1.00 4.31 H new ATOM 0 HG21 THR A 86 -6.422 -11.909 7.147 1.00 60.00 H new ATOM 0 HG22 THR A 86 -5.979 -10.945 5.718 1.00 60.00 H new ATOM 0 HG23 THR A 86 -6.136 -10.160 7.308 1.00 60.00 H new ATOM 1347 N ASP A 87 -10.523 -8.316 5.632 1.00 63.52 N ATOM 1348 CA ASP A 87 -11.884 -8.053 5.101 1.00 2.33 C ATOM 1349 C ASP A 87 -11.778 -7.293 3.761 1.00 54.43 C ATOM 1350 O ASP A 87 -11.197 -6.207 3.738 1.00 54.23 O ATOM 1351 CB ASP A 87 -12.750 -7.217 6.094 1.00 32.05 C ATOM 1352 CG ASP A 87 -13.316 -8.047 7.256 1.00 54.14 C ATOM 1353 OD1 ASP A 87 -12.642 -8.186 8.293 1.00 71.40 O ATOM 1354 OD2 ASP A 87 -14.444 -8.571 7.127 1.00 63.33 O ATOM 0 H ASP A 87 -10.288 -7.754 6.450 1.00 63.52 H new ATOM 0 HA ASP A 87 -12.372 -9.017 4.958 1.00 2.33 H new ATOM 0 HB2 ASP A 87 -12.145 -6.405 6.498 1.00 32.05 H new ATOM 0 HB3 ASP A 87 -13.575 -6.759 5.549 1.00 32.05 H new ATOM 1359 N PRO A 88 -12.333 -7.843 2.630 1.00 4.50 N ATOM 1360 CA PRO A 88 -12.332 -7.162 1.318 1.00 40.34 C ATOM 1361 C PRO A 88 -13.141 -5.858 1.343 1.00 33.51 C ATOM 1362 O PRO A 88 -12.683 -4.843 0.825 1.00 62.34 O ATOM 1363 CB PRO A 88 -12.944 -8.210 0.341 1.00 11.42 C ATOM 1364 CG PRO A 88 -13.724 -9.133 1.223 1.00 21.13 C ATOM 1365 CD PRO A 88 -12.965 -9.183 2.531 1.00 74.44 C ATOM 0 HA PRO A 88 -11.331 -6.853 1.017 1.00 40.34 H new ATOM 0 HB2 PRO A 88 -13.585 -7.734 -0.401 1.00 11.42 H new ATOM 0 HB3 PRO A 88 -12.167 -8.745 -0.205 1.00 11.42 H new ATOM 0 HG2 PRO A 88 -14.740 -8.767 1.373 1.00 21.13 H new ATOM 0 HG3 PRO A 88 -13.805 -10.125 0.778 1.00 21.13 H new ATOM 0 HD2 PRO A 88 -13.631 -9.373 3.372 1.00 74.44 H new ATOM 0 HD3 PRO A 88 -12.219 -9.977 2.529 1.00 74.44 H new ATOM 1373 N GLU A 89 -14.326 -5.897 1.986 1.00 25.15 N ATOM 1374 CA GLU A 89 -15.231 -4.730 2.096 1.00 32.34 C ATOM 1375 C GLU A 89 -14.549 -3.559 2.840 1.00 54.24 C ATOM 1376 O GLU A 89 -14.656 -2.382 2.425 1.00 20.53 O ATOM 1377 CB GLU A 89 -16.559 -5.143 2.786 1.00 23.40 C ATOM 1378 CG GLU A 89 -16.407 -5.638 4.240 1.00 42.20 C ATOM 1379 CD GLU A 89 -17.726 -6.082 4.885 1.00 3.23 C ATOM 1380 OE1 GLU A 89 -18.600 -5.218 5.128 1.00 5.12 O ATOM 1381 OE2 GLU A 89 -17.896 -7.288 5.158 1.00 73.12 O ATOM 0 H GLU A 89 -14.684 -6.736 2.443 1.00 25.15 H new ATOM 0 HA GLU A 89 -15.464 -4.380 1.090 1.00 32.34 H new ATOM 0 HB2 GLU A 89 -17.237 -4.290 2.777 1.00 23.40 H new ATOM 0 HB3 GLU A 89 -17.029 -5.930 2.196 1.00 23.40 H new ATOM 0 HG2 GLU A 89 -15.706 -6.472 4.258 1.00 42.20 H new ATOM 0 HG3 GLU A 89 -15.970 -4.841 4.841 1.00 42.20 H new ATOM 1388 N GLU A 90 -13.793 -3.911 3.901 1.00 22.54 N ATOM 1389 CA GLU A 90 -13.062 -2.942 4.717 1.00 65.54 C ATOM 1390 C GLU A 90 -11.940 -2.318 3.891 1.00 31.14 C ATOM 1391 O GLU A 90 -11.848 -1.108 3.808 1.00 54.12 O ATOM 1392 CB GLU A 90 -12.478 -3.585 5.998 1.00 41.30 C ATOM 1393 CG GLU A 90 -11.809 -2.569 6.949 1.00 12.12 C ATOM 1394 CD GLU A 90 -11.057 -3.189 8.135 1.00 42.01 C ATOM 1395 OE1 GLU A 90 -11.284 -4.368 8.473 1.00 74.54 O ATOM 1396 OE2 GLU A 90 -10.237 -2.478 8.753 1.00 70.42 O ATOM 0 H GLU A 90 -13.678 -4.877 4.209 1.00 22.54 H new ATOM 0 HA GLU A 90 -13.767 -2.172 5.029 1.00 65.54 H new ATOM 0 HB2 GLU A 90 -13.276 -4.100 6.533 1.00 41.30 H new ATOM 0 HB3 GLU A 90 -11.746 -4.341 5.714 1.00 41.30 H new ATOM 0 HG2 GLU A 90 -11.111 -1.960 6.374 1.00 12.12 H new ATOM 0 HG3 GLU A 90 -12.575 -1.897 7.335 1.00 12.12 H new ATOM 1403 N LEU A 91 -11.115 -3.165 3.248 1.00 75.15 N ATOM 1404 CA LEU A 91 -9.983 -2.704 2.422 1.00 33.35 C ATOM 1405 C LEU A 91 -10.451 -1.757 1.300 1.00 62.03 C ATOM 1406 O LEU A 91 -9.811 -0.740 1.042 1.00 30.23 O ATOM 1407 CB LEU A 91 -9.191 -3.902 1.827 1.00 24.23 C ATOM 1408 CG LEU A 91 -8.338 -4.743 2.824 1.00 22.23 C ATOM 1409 CD1 LEU A 91 -7.605 -5.895 2.095 1.00 65.23 C ATOM 1410 CD2 LEU A 91 -7.339 -3.847 3.582 1.00 34.02 C ATOM 0 H LEU A 91 -11.212 -4.180 3.285 1.00 75.15 H new ATOM 0 HA LEU A 91 -9.315 -2.146 3.078 1.00 33.35 H new ATOM 0 HB2 LEU A 91 -9.901 -4.570 1.339 1.00 24.23 H new ATOM 0 HB3 LEU A 91 -8.528 -3.520 1.051 1.00 24.23 H new ATOM 0 HG LEU A 91 -9.015 -5.187 3.554 1.00 22.23 H new ATOM 0 HD11 LEU A 91 -7.017 -6.465 2.814 1.00 65.23 H new ATOM 0 HD12 LEU A 91 -8.337 -6.551 1.623 1.00 65.23 H new ATOM 0 HD13 LEU A 91 -6.944 -5.481 1.333 1.00 65.23 H new ATOM 0 HD21 LEU A 91 -6.755 -4.456 4.272 1.00 34.02 H new ATOM 0 HD22 LEU A 91 -6.671 -3.364 2.869 1.00 34.02 H new ATOM 0 HD23 LEU A 91 -7.884 -3.087 4.141 1.00 34.02 H new ATOM 1422 N THR A 92 -11.601 -2.084 0.687 1.00 12.43 N ATOM 1423 CA THR A 92 -12.184 -1.296 -0.414 1.00 23.33 C ATOM 1424 C THR A 92 -12.560 0.123 0.060 1.00 61.41 C ATOM 1425 O THR A 92 -12.300 1.116 -0.647 1.00 70.53 O ATOM 1426 CB THR A 92 -13.425 -2.036 -1.026 1.00 13.24 C ATOM 1427 OG1 THR A 92 -13.047 -3.357 -1.446 1.00 65.55 O ATOM 1428 CG2 THR A 92 -14.018 -1.298 -2.238 1.00 32.21 C ATOM 0 H THR A 92 -12.154 -2.903 0.941 1.00 12.43 H new ATOM 0 HA THR A 92 -11.431 -1.194 -1.196 1.00 23.33 H new ATOM 0 HB THR A 92 -14.183 -2.072 -0.243 1.00 13.24 H new ATOM 0 HG1 THR A 92 -12.828 -3.900 -0.660 1.00 65.55 H new ATOM 0 HG21 THR A 92 -14.873 -1.855 -2.620 1.00 32.21 H new ATOM 0 HG22 THR A 92 -14.340 -0.301 -1.935 1.00 32.21 H new ATOM 0 HG23 THR A 92 -13.262 -1.214 -3.018 1.00 32.21 H new ATOM 1436 N GLN A 93 -13.140 0.221 1.278 1.00 22.01 N ATOM 1437 CA GLN A 93 -13.470 1.528 1.863 1.00 35.14 C ATOM 1438 C GLN A 93 -12.208 2.251 2.408 1.00 24.42 C ATOM 1439 O GLN A 93 -12.141 3.467 2.336 1.00 25.24 O ATOM 1440 CB GLN A 93 -14.634 1.432 2.900 1.00 2.12 C ATOM 1441 CG GLN A 93 -14.390 0.657 4.215 1.00 64.13 C ATOM 1442 CD GLN A 93 -13.520 1.360 5.267 1.00 42.14 C ATOM 1443 OE1 GLN A 93 -12.815 0.707 6.027 1.00 2.11 O ATOM 1444 NE2 GLN A 93 -13.579 2.683 5.339 1.00 14.53 N ATOM 0 H GLN A 93 -13.384 -0.579 1.862 1.00 22.01 H new ATOM 0 HA GLN A 93 -13.850 2.160 1.060 1.00 35.14 H new ATOM 0 HB2 GLN A 93 -14.927 2.448 3.164 1.00 2.12 H new ATOM 0 HB3 GLN A 93 -15.487 0.974 2.399 1.00 2.12 H new ATOM 0 HG2 GLN A 93 -15.357 0.433 4.665 1.00 64.13 H new ATOM 0 HG3 GLN A 93 -13.925 -0.297 3.968 1.00 64.13 H new ATOM 0 HE21 GLN A 93 -14.174 3.203 4.694 1.00 14.53 H new ATOM 0 HE22 GLN A 93 -13.029 3.181 6.039 1.00 14.53 H new ATOM 1453 N ARG A 94 -11.201 1.501 2.919 1.00 25.30 N ATOM 1454 CA ARG A 94 -9.940 2.093 3.464 1.00 11.44 C ATOM 1455 C ARG A 94 -9.179 2.858 2.366 1.00 21.43 C ATOM 1456 O ARG A 94 -8.735 4.002 2.567 1.00 25.40 O ATOM 1457 CB ARG A 94 -9.002 0.992 4.043 1.00 64.31 C ATOM 1458 CG ARG A 94 -9.507 0.269 5.307 1.00 50.02 C ATOM 1459 CD ARG A 94 -9.563 1.163 6.552 1.00 65.43 C ATOM 1460 NE ARG A 94 -9.924 0.399 7.760 1.00 12.10 N ATOM 1461 CZ ARG A 94 -10.038 0.914 8.995 1.00 30.42 C ATOM 1462 NH1 ARG A 94 -9.821 2.211 9.221 1.00 4.32 N ATOM 1463 NH2 ARG A 94 -10.381 0.120 10.003 1.00 15.13 N ATOM 0 H ARG A 94 -11.232 0.483 2.968 1.00 25.30 H new ATOM 0 HA ARG A 94 -10.227 2.778 4.262 1.00 11.44 H new ATOM 0 HB2 ARG A 94 -8.828 0.246 3.267 1.00 64.31 H new ATOM 0 HB3 ARG A 94 -8.038 1.447 4.270 1.00 64.31 H new ATOM 0 HG2 ARG A 94 -10.503 -0.130 5.113 1.00 50.02 H new ATOM 0 HG3 ARG A 94 -8.857 -0.582 5.511 1.00 50.02 H new ATOM 0 HD2 ARG A 94 -8.594 1.641 6.700 1.00 65.43 H new ATOM 0 HD3 ARG A 94 -10.290 1.959 6.395 1.00 65.43 H new ATOM 0 HE ARG A 94 -10.101 -0.599 7.649 1.00 12.10 H new ATOM 0 HH11 ARG A 94 -9.564 2.827 8.450 1.00 4.32 H new ATOM 0 HH12 ARG A 94 -9.912 2.586 10.165 1.00 4.32 H new ATOM 0 HH21 ARG A 94 -10.555 -0.871 9.835 1.00 15.13 H new ATOM 0 HH22 ARG A 94 -10.470 0.501 10.945 1.00 15.13 H new ATOM 1477 N VAL A 95 -9.039 2.184 1.215 1.00 33.41 N ATOM 1478 CA VAL A 95 -8.340 2.711 0.042 1.00 23.52 C ATOM 1479 C VAL A 95 -9.021 3.992 -0.465 1.00 32.44 C ATOM 1480 O VAL A 95 -8.352 5.004 -0.648 1.00 40.52 O ATOM 1481 CB VAL A 95 -8.259 1.611 -1.086 1.00 64.41 C ATOM 1482 CG1 VAL A 95 -7.676 2.156 -2.407 1.00 31.23 C ATOM 1483 CG2 VAL A 95 -7.444 0.393 -0.593 1.00 25.43 C ATOM 0 H VAL A 95 -9.414 1.246 1.075 1.00 33.41 H new ATOM 0 HA VAL A 95 -7.321 2.973 0.327 1.00 23.52 H new ATOM 0 HB VAL A 95 -9.281 1.297 -1.299 1.00 64.41 H new ATOM 0 HG11 VAL A 95 -7.643 1.357 -3.147 1.00 31.23 H new ATOM 0 HG12 VAL A 95 -8.305 2.966 -2.775 1.00 31.23 H new ATOM 0 HG13 VAL A 95 -6.667 2.530 -2.232 1.00 31.23 H new ATOM 0 HG21 VAL A 95 -7.397 -0.357 -1.382 1.00 25.43 H new ATOM 0 HG22 VAL A 95 -6.434 0.711 -0.335 1.00 25.43 H new ATOM 0 HG23 VAL A 95 -7.925 -0.035 0.286 1.00 25.43 H new ATOM 1493 N ARG A 96 -10.358 3.960 -0.620 1.00 30.10 N ATOM 1494 CA ARG A 96 -11.113 5.110 -1.163 1.00 0.41 C ATOM 1495 C ARG A 96 -11.110 6.307 -0.193 1.00 22.32 C ATOM 1496 O ARG A 96 -11.096 7.461 -0.641 1.00 13.55 O ATOM 1497 CB ARG A 96 -12.567 4.735 -1.518 1.00 13.50 C ATOM 1498 CG ARG A 96 -13.510 4.485 -0.324 1.00 14.53 C ATOM 1499 CD ARG A 96 -14.975 4.297 -0.727 1.00 60.21 C ATOM 1500 NE ARG A 96 -15.213 3.092 -1.542 1.00 41.43 N ATOM 1501 CZ ARG A 96 -16.071 2.099 -1.218 1.00 65.24 C ATOM 1502 NH1 ARG A 96 -16.796 2.152 -0.096 1.00 30.15 N ATOM 1503 NH2 ARG A 96 -16.218 1.071 -2.039 1.00 11.25 N ATOM 0 H ARG A 96 -10.937 3.156 -0.379 1.00 30.10 H new ATOM 0 HA ARG A 96 -10.599 5.401 -2.079 1.00 0.41 H new ATOM 0 HB2 ARG A 96 -12.989 5.534 -2.128 1.00 13.50 H new ATOM 0 HB3 ARG A 96 -12.549 3.837 -2.136 1.00 13.50 H new ATOM 0 HG2 ARG A 96 -13.174 3.599 0.214 1.00 14.53 H new ATOM 0 HG3 ARG A 96 -13.437 5.325 0.367 1.00 14.53 H new ATOM 0 HD2 ARG A 96 -15.587 4.243 0.174 1.00 60.21 H new ATOM 0 HD3 ARG A 96 -15.305 5.174 -1.285 1.00 60.21 H new ATOM 0 HE ARG A 96 -14.692 3.001 -2.414 1.00 41.43 H new ATOM 0 HH11 ARG A 96 -16.707 2.951 0.532 1.00 30.15 H new ATOM 0 HH12 ARG A 96 -17.439 1.393 0.132 1.00 30.15 H new ATOM 0 HH21 ARG A 96 -15.686 1.032 -2.908 1.00 11.25 H new ATOM 0 HH22 ARG A 96 -16.863 0.317 -1.802 1.00 11.25 H new ATOM 1517 N GLU A 97 -11.142 6.028 1.129 1.00 63.34 N ATOM 1518 CA GLU A 97 -11.069 7.074 2.163 1.00 51.43 C ATOM 1519 C GLU A 97 -9.754 7.838 2.038 1.00 12.24 C ATOM 1520 O GLU A 97 -9.745 9.069 2.011 1.00 70.43 O ATOM 1521 CB GLU A 97 -11.237 6.492 3.603 1.00 12.03 C ATOM 1522 CG GLU A 97 -12.662 6.009 3.949 1.00 44.51 C ATOM 1523 CD GLU A 97 -13.740 7.103 3.842 1.00 11.33 C ATOM 1524 OE1 GLU A 97 -13.872 7.914 4.780 1.00 24.34 O ATOM 1525 OE2 GLU A 97 -14.448 7.166 2.809 1.00 72.02 O ATOM 0 H GLU A 97 -11.218 5.082 1.502 1.00 63.34 H new ATOM 0 HA GLU A 97 -11.900 7.761 2.001 1.00 51.43 H new ATOM 0 HB2 GLU A 97 -10.547 5.657 3.724 1.00 12.03 H new ATOM 0 HB3 GLU A 97 -10.943 7.255 4.324 1.00 12.03 H new ATOM 0 HG2 GLU A 97 -12.927 5.187 3.284 1.00 44.51 H new ATOM 0 HG3 GLU A 97 -12.663 5.611 4.964 1.00 44.51 H new ATOM 1532 N PHE A 98 -8.664 7.071 1.890 1.00 1.14 N ATOM 1533 CA PHE A 98 -7.307 7.609 1.715 1.00 24.43 C ATOM 1534 C PHE A 98 -7.198 8.432 0.410 1.00 23.14 C ATOM 1535 O PHE A 98 -6.726 9.573 0.416 1.00 53.03 O ATOM 1536 CB PHE A 98 -6.275 6.448 1.712 1.00 54.11 C ATOM 1537 CG PHE A 98 -4.825 6.911 1.581 1.00 55.30 C ATOM 1538 CD1 PHE A 98 -4.132 7.386 2.689 1.00 63.33 C ATOM 1539 CD2 PHE A 98 -4.167 6.891 0.349 1.00 13.14 C ATOM 1540 CE1 PHE A 98 -2.836 7.829 2.571 1.00 5.42 C ATOM 1541 CE2 PHE A 98 -2.870 7.329 0.237 1.00 51.12 C ATOM 1542 CZ PHE A 98 -2.206 7.800 1.347 1.00 75.32 C ATOM 0 H PHE A 98 -8.700 6.052 1.888 1.00 1.14 H new ATOM 0 HA PHE A 98 -7.091 8.276 2.549 1.00 24.43 H new ATOM 0 HB2 PHE A 98 -6.382 5.877 2.634 1.00 54.11 H new ATOM 0 HB3 PHE A 98 -6.506 5.771 0.889 1.00 54.11 H new ATOM 0 HD1 PHE A 98 -4.618 7.407 3.653 1.00 63.33 H new ATOM 0 HD2 PHE A 98 -4.684 6.527 -0.526 1.00 13.14 H new ATOM 0 HE1 PHE A 98 -2.312 8.200 3.439 1.00 5.42 H new ATOM 0 HE2 PHE A 98 -2.372 7.304 -0.721 1.00 51.12 H new ATOM 0 HZ PHE A 98 -1.188 8.148 1.258 1.00 75.32 H new ATOM 1552 N LEU A 99 -7.667 7.834 -0.698 1.00 64.14 N ATOM 1553 CA LEU A 99 -7.583 8.429 -2.048 1.00 32.31 C ATOM 1554 C LEU A 99 -8.456 9.692 -2.180 1.00 11.22 C ATOM 1555 O LEU A 99 -8.210 10.511 -3.058 1.00 23.10 O ATOM 1556 CB LEU A 99 -7.992 7.381 -3.124 1.00 4.12 C ATOM 1557 CG LEU A 99 -7.065 6.133 -3.271 1.00 2.12 C ATOM 1558 CD1 LEU A 99 -7.600 5.170 -4.355 1.00 14.14 C ATOM 1559 CD2 LEU A 99 -5.600 6.536 -3.550 1.00 64.42 C ATOM 0 H LEU A 99 -8.118 6.919 -0.685 1.00 64.14 H new ATOM 0 HA LEU A 99 -6.547 8.729 -2.208 1.00 32.31 H new ATOM 0 HB2 LEU A 99 -8.999 7.032 -2.895 1.00 4.12 H new ATOM 0 HB3 LEU A 99 -8.041 7.885 -4.089 1.00 4.12 H new ATOM 0 HG LEU A 99 -7.075 5.604 -2.318 1.00 2.12 H new ATOM 0 HD11 LEU A 99 -6.936 4.310 -4.437 1.00 14.14 H new ATOM 0 HD12 LEU A 99 -8.599 4.832 -4.081 1.00 14.14 H new ATOM 0 HD13 LEU A 99 -7.643 5.688 -5.313 1.00 14.14 H new ATOM 0 HD21 LEU A 99 -4.988 5.639 -3.646 1.00 64.42 H new ATOM 0 HD22 LEU A 99 -5.550 7.110 -4.476 1.00 64.42 H new ATOM 0 HD23 LEU A 99 -5.227 7.144 -2.726 1.00 64.42 H new ATOM 1571 N LYS A 100 -9.484 9.818 -1.327 1.00 15.11 N ATOM 1572 CA LYS A 100 -10.389 10.986 -1.316 1.00 63.10 C ATOM 1573 C LYS A 100 -9.851 12.115 -0.407 1.00 75.42 C ATOM 1574 O LYS A 100 -9.885 13.288 -0.791 1.00 62.22 O ATOM 1575 CB LYS A 100 -11.810 10.546 -0.867 1.00 43.23 C ATOM 1576 CG LYS A 100 -12.895 11.657 -0.867 1.00 62.24 C ATOM 1577 CD LYS A 100 -14.335 11.122 -0.594 1.00 34.43 C ATOM 1578 CE LYS A 100 -14.566 10.582 0.836 1.00 32.45 C ATOM 1579 NZ LYS A 100 -13.835 9.312 1.119 1.00 1.32 N ATOM 0 H LYS A 100 -9.714 9.115 -0.624 1.00 15.11 H new ATOM 0 HA LYS A 100 -10.443 11.386 -2.329 1.00 63.10 H new ATOM 0 HB2 LYS A 100 -12.143 9.740 -1.520 1.00 43.23 H new ATOM 0 HB3 LYS A 100 -11.740 10.133 0.139 1.00 43.23 H new ATOM 0 HG2 LYS A 100 -12.643 12.400 -0.110 1.00 62.24 H new ATOM 0 HG3 LYS A 100 -12.882 12.166 -1.831 1.00 62.24 H new ATOM 0 HD2 LYS A 100 -15.048 11.925 -0.784 1.00 34.43 H new ATOM 0 HD3 LYS A 100 -14.553 10.327 -1.307 1.00 34.43 H new ATOM 0 HE2 LYS A 100 -14.255 11.339 1.556 1.00 32.45 H new ATOM 0 HE3 LYS A 100 -15.633 10.419 0.986 1.00 32.45 H new ATOM 0 HZ1 LYS A 100 -14.455 8.665 1.646 1.00 1.32 H new ATOM 0 HZ2 LYS A 100 -13.552 8.867 0.223 1.00 1.32 H new ATOM 0 HZ3 LYS A 100 -12.988 9.518 1.686 1.00 1.32 H new ATOM 1593 N THR A 101 -9.351 11.757 0.798 1.00 4.53 N ATOM 1594 CA THR A 101 -8.920 12.759 1.808 1.00 52.44 C ATOM 1595 C THR A 101 -7.546 13.347 1.436 1.00 32.31 C ATOM 1596 O THR A 101 -7.356 14.568 1.456 1.00 34.12 O ATOM 1597 CB THR A 101 -8.918 12.187 3.281 1.00 52.23 C ATOM 1598 OG1 THR A 101 -8.673 13.242 4.234 1.00 64.31 O ATOM 1599 CG2 THR A 101 -7.880 11.076 3.515 1.00 35.34 C ATOM 0 H THR A 101 -9.235 10.788 1.096 1.00 4.53 H new ATOM 0 HA THR A 101 -9.659 13.560 1.794 1.00 52.44 H new ATOM 0 HB THR A 101 -9.907 11.752 3.421 1.00 52.23 H new ATOM 0 HG1 THR A 101 -8.677 12.871 5.141 1.00 64.31 H new ATOM 0 HG21 THR A 101 -7.939 10.734 4.548 1.00 35.34 H new ATOM 0 HG22 THR A 101 -8.083 10.241 2.845 1.00 35.34 H new ATOM 0 HG23 THR A 101 -6.881 11.464 3.318 1.00 35.34 H new ATOM 1607 N ALA A 102 -6.607 12.466 1.073 1.00 34.10 N ATOM 1608 CA ALA A 102 -5.243 12.845 0.706 1.00 11.42 C ATOM 1609 C ALA A 102 -5.201 13.285 -0.763 1.00 12.03 C ATOM 1610 O ALA A 102 -4.616 14.322 -1.099 1.00 1.11 O ATOM 1611 CB ALA A 102 -4.296 11.670 0.985 1.00 71.03 C ATOM 0 H ALA A 102 -6.777 11.461 1.026 1.00 34.10 H new ATOM 0 HA ALA A 102 -4.912 13.691 1.308 1.00 11.42 H new ATOM 0 HB1 ALA A 102 -3.279 11.950 0.712 1.00 71.03 H new ATOM 0 HB2 ALA A 102 -4.331 11.418 2.045 1.00 71.03 H new ATOM 0 HB3 ALA A 102 -4.605 10.806 0.396 1.00 71.03 H new ATOM 1617 N GLY A 103 -5.833 12.482 -1.636 1.00 12.24 N ATOM 1618 CA GLY A 103 -5.979 12.828 -3.051 1.00 5.34 C ATOM 1619 C GLY A 103 -7.260 13.608 -3.289 1.00 2.13 C ATOM 1620 O GLY A 103 -8.157 13.146 -4.003 1.00 15.44 O ATOM 0 H GLY A 103 -6.250 11.587 -1.380 1.00 12.24 H new ATOM 0 HA2 GLY A 103 -5.123 13.420 -3.375 1.00 5.34 H new ATOM 0 HA3 GLY A 103 -5.985 11.919 -3.653 1.00 5.34 H new ATOM 1624 N SER A 104 -7.353 14.793 -2.668 1.00 72.31 N ATOM 1625 CA SER A 104 -8.561 15.623 -2.703 1.00 72.30 C ATOM 1626 C SER A 104 -8.847 16.119 -4.142 1.00 41.54 C ATOM 1627 O SER A 104 -7.945 16.633 -4.823 1.00 63.13 O ATOM 1628 CB SER A 104 -8.413 16.798 -1.717 1.00 12.13 C ATOM 1629 OG SER A 104 -9.622 17.525 -1.585 1.00 44.04 O ATOM 0 H SER A 104 -6.591 15.201 -2.127 1.00 72.31 H new ATOM 0 HA SER A 104 -9.416 15.022 -2.394 1.00 72.30 H new ATOM 0 HB2 SER A 104 -8.108 16.419 -0.742 1.00 12.13 H new ATOM 0 HB3 SER A 104 -7.623 17.465 -2.061 1.00 12.13 H new ATOM 0 HG SER A 104 -9.493 18.262 -0.951 1.00 44.04 H new ATOM 1635 N LEU A 105 -10.097 15.925 -4.597 1.00 52.15 N ATOM 1636 CA LEU A 105 -10.522 16.233 -5.976 1.00 14.15 C ATOM 1637 C LEU A 105 -10.936 17.706 -6.109 1.00 53.32 C ATOM 1638 O LEU A 105 -12.126 18.048 -6.136 1.00 63.14 O ATOM 1639 CB LEU A 105 -11.648 15.253 -6.399 1.00 40.34 C ATOM 1640 CG LEU A 105 -11.191 13.773 -6.565 1.00 3.33 C ATOM 1641 CD1 LEU A 105 -12.392 12.825 -6.779 1.00 62.24 C ATOM 1642 CD2 LEU A 105 -10.158 13.651 -7.712 1.00 5.15 C ATOM 0 H LEU A 105 -10.846 15.548 -4.016 1.00 52.15 H new ATOM 0 HA LEU A 105 -9.684 16.092 -6.658 1.00 14.15 H new ATOM 0 HB2 LEU A 105 -12.444 15.292 -5.656 1.00 40.34 H new ATOM 0 HB3 LEU A 105 -12.075 15.596 -7.342 1.00 40.34 H new ATOM 0 HG LEU A 105 -10.707 13.464 -5.638 1.00 3.33 H new ATOM 0 HD11 LEU A 105 -12.033 11.802 -6.891 1.00 62.24 H new ATOM 0 HD12 LEU A 105 -13.059 12.883 -5.919 1.00 62.24 H new ATOM 0 HD13 LEU A 105 -12.933 13.120 -7.678 1.00 62.24 H new ATOM 0 HD21 LEU A 105 -9.849 12.611 -7.814 1.00 5.15 H new ATOM 0 HD22 LEU A 105 -10.609 13.989 -8.645 1.00 5.15 H new ATOM 0 HD23 LEU A 105 -9.288 14.267 -7.485 1.00 5.15 H new ATOM 1654 N GLU A 106 -9.918 18.575 -6.149 1.00 42.35 N ATOM 1655 CA GLU A 106 -10.087 20.030 -6.238 1.00 5.13 C ATOM 1656 C GLU A 106 -10.313 20.453 -7.699 1.00 24.41 C ATOM 1657 O GLU A 106 -11.221 21.238 -7.981 1.00 2.14 O ATOM 1658 CB GLU A 106 -8.835 20.735 -5.622 1.00 73.44 C ATOM 1659 CG GLU A 106 -8.984 22.247 -5.283 1.00 40.20 C ATOM 1660 CD GLU A 106 -9.030 23.189 -6.502 1.00 13.23 C ATOM 1661 OE1 GLU A 106 -8.012 23.270 -7.230 1.00 14.14 O ATOM 1662 OE2 GLU A 106 -10.078 23.825 -6.764 1.00 61.12 O ATOM 0 H GLU A 106 -8.941 18.283 -6.120 1.00 42.35 H new ATOM 0 HA GLU A 106 -10.967 20.334 -5.671 1.00 5.13 H new ATOM 0 HB2 GLU A 106 -8.561 20.206 -4.709 1.00 73.44 H new ATOM 0 HB3 GLU A 106 -8.003 20.622 -6.318 1.00 73.44 H new ATOM 0 HG2 GLU A 106 -9.896 22.385 -4.702 1.00 40.20 H new ATOM 0 HG3 GLU A 106 -8.152 22.544 -4.645 1.00 40.20 H new ATOM 1669 N HIS A 107 -9.481 19.924 -8.615 1.00 14.35 N ATOM 1670 CA HIS A 107 -9.483 20.328 -10.034 1.00 63.14 C ATOM 1671 C HIS A 107 -10.815 19.958 -10.706 1.00 55.44 C ATOM 1672 O HIS A 107 -11.236 18.802 -10.689 1.00 53.33 O ATOM 1673 CB HIS A 107 -8.279 19.709 -10.778 1.00 62.34 C ATOM 1674 CG HIS A 107 -6.955 20.246 -10.293 1.00 12.13 C ATOM 1675 ND1 HIS A 107 -6.357 21.376 -10.820 1.00 64.24 N ATOM 1676 CD2 HIS A 107 -6.125 19.815 -9.315 1.00 4.42 C ATOM 1677 CE1 HIS A 107 -5.228 21.614 -10.181 1.00 62.42 C ATOM 1678 NE2 HIS A 107 -5.062 20.681 -9.268 1.00 43.12 N ATOM 0 H HIS A 107 -8.790 19.207 -8.394 1.00 14.35 H new ATOM 0 HA HIS A 107 -9.381 21.412 -10.085 1.00 63.14 H new ATOM 0 HB2 HIS A 107 -8.296 18.627 -10.650 1.00 62.34 H new ATOM 0 HB3 HIS A 107 -8.377 19.906 -11.846 1.00 62.34 H new ATOM 0 HD2 HIS A 107 -6.272 18.949 -8.687 1.00 4.42 H new ATOM 0 HE1 HIS A 107 -4.554 22.435 -10.374 1.00 62.42 H new ATOM 0 HE2 HIS A 107 -4.270 20.613 -8.628 1.00 43.12 H new ATOM 1687 N HIS A 108 -11.438 20.972 -11.311 1.00 22.30 N ATOM 1688 CA HIS A 108 -12.849 20.966 -11.714 1.00 50.41 C ATOM 1689 C HIS A 108 -13.023 20.250 -13.058 1.00 31.24 C ATOM 1690 O HIS A 108 -12.578 20.757 -14.096 1.00 13.13 O ATOM 1691 CB HIS A 108 -13.369 22.432 -11.794 1.00 43.04 C ATOM 1692 CG HIS A 108 -13.151 23.222 -10.518 1.00 53.52 C ATOM 1693 ND1 HIS A 108 -14.174 23.604 -9.678 1.00 13.41 N ATOM 1694 CD2 HIS A 108 -12.013 23.699 -9.945 1.00 34.04 C ATOM 1695 CE1 HIS A 108 -13.678 24.270 -8.654 1.00 25.34 C ATOM 1696 NE2 HIS A 108 -12.366 24.342 -8.789 1.00 14.21 N ATOM 0 H HIS A 108 -10.963 21.845 -11.541 1.00 22.30 H new ATOM 0 HA HIS A 108 -13.433 20.423 -10.971 1.00 50.41 H new ATOM 0 HB2 HIS A 108 -12.869 22.942 -12.617 1.00 43.04 H new ATOM 0 HB3 HIS A 108 -14.434 22.419 -12.027 1.00 43.04 H new ATOM 0 HD2 HIS A 108 -11.011 23.590 -10.333 1.00 34.04 H new ATOM 0 HE1 HIS A 108 -14.250 24.688 -7.839 1.00 25.34 H new ATOM 0 HE2 HIS A 108 -11.724 24.799 -8.141 1.00 14.21 H new ATOM 1705 N HIS A 109 -13.653 19.061 -13.027 1.00 1.21 N ATOM 1706 CA HIS A 109 -13.877 18.244 -14.230 1.00 52.33 C ATOM 1707 C HIS A 109 -15.096 18.793 -15.018 1.00 33.44 C ATOM 1708 O HIS A 109 -16.251 18.486 -14.721 1.00 3.01 O ATOM 1709 CB HIS A 109 -14.003 16.726 -13.862 1.00 70.43 C ATOM 1710 CG HIS A 109 -15.181 16.319 -13.002 1.00 54.23 C ATOM 1711 ND1 HIS A 109 -15.195 16.426 -11.629 1.00 71.32 N ATOM 1712 CD2 HIS A 109 -16.378 15.768 -13.342 1.00 32.12 C ATOM 1713 CE1 HIS A 109 -16.347 15.976 -11.163 1.00 61.31 C ATOM 1714 NE2 HIS A 109 -17.079 15.571 -12.180 1.00 11.53 N ATOM 0 H HIS A 109 -14.019 18.643 -12.171 1.00 1.21 H new ATOM 0 HA HIS A 109 -13.012 18.316 -14.890 1.00 52.33 H new ATOM 0 HB2 HIS A 109 -14.049 16.156 -14.790 1.00 70.43 H new ATOM 0 HB3 HIS A 109 -13.090 16.426 -13.348 1.00 70.43 H new ATOM 0 HD2 HIS A 109 -16.713 15.530 -14.341 1.00 32.12 H new ATOM 0 HE1 HIS A 109 -16.639 15.946 -10.124 1.00 61.31 H new ATOM 0 HE2 HIS A 109 -18.016 15.175 -12.114 1.00 11.53 H new ATOM 1723 N HIS A 110 -14.811 19.668 -15.995 1.00 3.43 N ATOM 1724 CA HIS A 110 -15.842 20.391 -16.776 1.00 35.33 C ATOM 1725 C HIS A 110 -16.570 19.453 -17.769 1.00 50.40 C ATOM 1726 O HIS A 110 -17.738 19.673 -18.094 1.00 4.03 O ATOM 1727 CB HIS A 110 -15.187 21.588 -17.523 1.00 35.32 C ATOM 1728 CG HIS A 110 -16.125 22.365 -18.422 1.00 2.31 C ATOM 1729 ND1 HIS A 110 -17.127 23.189 -17.947 1.00 2.44 N ATOM 1730 CD2 HIS A 110 -16.227 22.404 -19.775 1.00 54.53 C ATOM 1731 CE1 HIS A 110 -17.797 23.695 -18.965 1.00 44.22 C ATOM 1732 NE2 HIS A 110 -17.269 23.236 -20.079 1.00 14.10 N ATOM 0 H HIS A 110 -13.857 19.899 -16.271 1.00 3.43 H new ATOM 0 HA HIS A 110 -16.595 20.769 -16.084 1.00 35.33 H new ATOM 0 HB2 HIS A 110 -14.764 22.271 -16.786 1.00 35.32 H new ATOM 0 HB3 HIS A 110 -14.358 21.214 -18.123 1.00 35.32 H new ATOM 0 HD2 HIS A 110 -15.602 21.876 -20.480 1.00 54.53 H new ATOM 0 HE1 HIS A 110 -18.636 24.371 -18.895 1.00 44.22 H new ATOM 0 HE2 HIS A 110 -17.587 23.465 -21.021 1.00 14.10 H new ATOM 1741 N HIS A 111 -15.870 18.410 -18.231 1.00 0.43 N ATOM 1742 CA HIS A 111 -16.390 17.478 -19.247 1.00 0.52 C ATOM 1743 C HIS A 111 -16.017 16.031 -18.883 1.00 12.11 C ATOM 1744 O HIS A 111 -16.894 15.220 -18.568 1.00 44.13 O ATOM 1745 CB HIS A 111 -15.848 17.870 -20.657 1.00 20.15 C ATOM 1746 CG HIS A 111 -16.329 16.976 -21.779 1.00 4.33 C ATOM 1747 ND1 HIS A 111 -17.593 17.067 -22.328 1.00 44.04 N ATOM 1748 CD2 HIS A 111 -15.715 15.959 -22.439 1.00 61.42 C ATOM 1749 CE1 HIS A 111 -17.732 16.151 -23.266 1.00 30.21 C ATOM 1750 NE2 HIS A 111 -16.610 15.464 -23.353 1.00 53.11 N ATOM 0 H HIS A 111 -14.927 18.186 -17.913 1.00 0.43 H new ATOM 0 HA HIS A 111 -17.478 17.544 -19.273 1.00 0.52 H new ATOM 0 HB2 HIS A 111 -16.143 18.897 -20.874 1.00 20.15 H new ATOM 0 HB3 HIS A 111 -14.758 17.849 -20.633 1.00 20.15 H new ATOM 0 HD2 HIS A 111 -14.708 15.606 -22.274 1.00 61.42 H new ATOM 0 HE1 HIS A 111 -18.617 15.990 -23.863 1.00 30.21 H new ATOM 0 HE2 HIS A 111 -16.436 14.691 -23.995 1.00 53.11 H new ATOM 1759 N HIS A 112 -14.705 15.725 -18.937 1.00 33.21 N ATOM 1760 CA HIS A 112 -14.168 14.366 -18.698 1.00 23.41 C ATOM 1761 C HIS A 112 -14.392 13.943 -17.220 1.00 62.25 C ATOM 1762 O HIS A 112 -13.679 14.448 -16.333 1.00 44.40 O ATOM 1763 CB HIS A 112 -12.658 14.301 -19.095 1.00 33.13 C ATOM 1764 CG HIS A 112 -11.985 12.960 -18.843 1.00 24.02 C ATOM 1765 ND1 HIS A 112 -12.119 11.863 -19.677 1.00 52.22 N ATOM 1766 CD2 HIS A 112 -11.168 12.544 -17.834 1.00 12.23 C ATOM 1767 CE1 HIS A 112 -11.430 10.848 -19.190 1.00 60.25 C ATOM 1768 NE2 HIS A 112 -10.844 11.232 -18.076 1.00 13.41 N ATOM 1769 OXT HIS A 112 -15.288 13.117 -16.963 1.00 37.06 O ATOM 0 H HIS A 112 -13.984 16.415 -19.148 1.00 33.21 H new ATOM 0 HA HIS A 112 -14.707 13.657 -19.327 1.00 23.41 H new ATOM 0 HB2 HIS A 112 -12.565 14.544 -20.153 1.00 33.13 H new ATOM 0 HB3 HIS A 112 -12.119 15.071 -18.543 1.00 33.13 H new ATOM 0 HD2 HIS A 112 -10.836 13.139 -16.996 1.00 12.23 H new ATOM 0 HE1 HIS A 112 -11.359 9.865 -19.632 1.00 60.25 H new ATOM 0 HE2 HIS A 112 -10.247 10.650 -17.488 1.00 13.41 H new TER 1778 HIS A 112