USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 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= 0.234 K(o=0.44,f=-0.43) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.203 K(o=0.44,f=-0.98) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.961 K(o=-0.38,f=-1) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -107:sc= 0.582 (180deg=-0.597!) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.0321 K(o=0.38,f=-0.14) USER MOD Set 3.2: A 26 TYR OH : rot 180:sc= 0.412 USER MOD Set 4.1: A 19 GLN :FLIP amide:sc= -0.325 F(o=-1,f=0.88) USER MOD Set 4.2: A 33 THR OG1 : rot -62:sc= 1.21 USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 13 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.087 (180deg=-0.0301) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= -0.819 (180deg=-0.885) USER MOD Single : A 9 SER OG : rot -70:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -59:sc= 0.29 USER MOD Single : A 17 SER OG : rot 75:sc= 1.18 USER MOD Single : A 23 LYS NZ :NH3+ 151:sc= 0.656 (180deg=0.228) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.178 USER MOD Single : A 37 SER OG : rot -47:sc= 0.404 USER MOD Single : A 38 GLN :FLIP amide:sc=-0.00728 F(o=-2.1!,f=-0.0073) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -140:sc= 0 USER MOD Single : A 47 MET CE :methyl 172:sc= -1.83 (180deg=-2.09) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= 0.798 (180deg=-0.835) USER MOD Single : A 59 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 70 GLN : amide:sc= -0.942 K(o=-0.94,f=-1.9!) USER MOD Single : A 71 ASN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -140:sc= -0.147 (180deg=-0.643) USER MOD Single : A 85 SER OG : rot 143:sc= 0.227 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 93 GLN : amide:sc= -0.551 K(o=-0.55,f=-1.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -38:sc= 0.174 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 X(o=0,f=-0.019) USER MOD Single : A 109 HIS :FLIP no HE2:sc= 0.128 F(o=-0.57,f=0.13) USER MOD Single : A 110 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.594 16.035 0.311 1.00 21.52 N ATOM 2 CA MET A 1 3.468 15.283 -0.296 1.00 31.24 C ATOM 3 C MET A 1 3.896 13.836 -0.556 1.00 1.13 C ATOM 4 O MET A 1 5.092 13.535 -0.616 1.00 4.33 O ATOM 5 CB MET A 1 2.991 15.959 -1.611 1.00 63.30 C ATOM 6 CG MET A 1 2.394 17.356 -1.419 1.00 12.21 C ATOM 7 SD MET A 1 0.910 17.313 -0.394 1.00 30.52 S ATOM 8 CE MET A 1 0.457 19.044 -0.291 1.00 14.55 C ATOM 0 H1 MET A 1 4.320 16.366 1.258 1.00 21.52 H new ATOM 0 H2 MET A 1 5.425 15.414 0.388 1.00 21.52 H new ATOM 0 H3 MET A 1 4.828 16.853 -0.287 1.00 21.52 H new ATOM 0 HA MET A 1 2.629 15.287 0.400 1.00 31.24 H new ATOM 0 HB2 MET A 1 3.835 16.028 -2.297 1.00 63.30 H new ATOM 0 HB3 MET A 1 2.246 15.320 -2.085 1.00 63.30 H new ATOM 0 HG2 MET A 1 3.136 18.008 -0.958 1.00 12.21 H new ATOM 0 HG3 MET A 1 2.152 17.785 -2.391 1.00 12.21 H new ATOM 0 HE1 MET A 1 -0.443 19.149 0.315 1.00 14.55 H new ATOM 0 HE2 MET A 1 1.271 19.606 0.167 1.00 14.55 H new ATOM 0 HE3 MET A 1 0.268 19.431 -1.292 1.00 14.55 H new ATOM 20 N GLY A 2 2.909 12.954 -0.747 1.00 40.01 N ATOM 21 CA GLY A 2 3.156 11.522 -0.902 1.00 32.41 C ATOM 22 C GLY A 2 2.680 10.775 0.323 1.00 14.21 C ATOM 23 O GLY A 2 3.488 10.317 1.135 1.00 2.13 O ATOM 0 H GLY A 2 1.924 13.213 -0.798 1.00 40.01 H new ATOM 0 HA2 GLY A 2 2.640 11.150 -1.787 1.00 32.41 H new ATOM 0 HA3 GLY A 2 4.220 11.344 -1.055 1.00 32.41 H new ATOM 27 N LYS A 3 1.352 10.706 0.480 1.00 33.22 N ATOM 28 CA LYS A 3 0.711 9.983 1.584 1.00 44.53 C ATOM 29 C LYS A 3 0.367 8.571 1.083 1.00 70.15 C ATOM 30 O LYS A 3 -0.467 8.432 0.187 1.00 52.44 O ATOM 31 CB LYS A 3 -0.570 10.744 2.049 1.00 34.21 C ATOM 32 CG LYS A 3 -1.088 10.372 3.464 1.00 63.02 C ATOM 33 CD LYS A 3 -0.228 10.993 4.589 1.00 62.24 C ATOM 34 CE LYS A 3 -0.725 10.649 6.002 1.00 10.14 C ATOM 35 NZ LYS A 3 -0.584 9.203 6.312 1.00 21.33 N ATOM 0 H LYS A 3 0.691 11.151 -0.157 1.00 33.22 H new ATOM 0 HA LYS A 3 1.379 9.915 2.442 1.00 44.53 H new ATOM 0 HB2 LYS A 3 -0.365 11.814 2.025 1.00 34.21 H new ATOM 0 HB3 LYS A 3 -1.366 10.556 1.328 1.00 34.21 H new ATOM 0 HG2 LYS A 3 -2.119 10.709 3.571 1.00 63.02 H new ATOM 0 HG3 LYS A 3 -1.094 9.287 3.572 1.00 63.02 H new ATOM 0 HD2 LYS A 3 0.801 10.649 4.481 1.00 62.24 H new ATOM 0 HD3 LYS A 3 -0.216 12.076 4.470 1.00 62.24 H new ATOM 0 HE2 LYS A 3 -0.165 11.232 6.734 1.00 10.14 H new ATOM 0 HE3 LYS A 3 -1.772 10.939 6.097 1.00 10.14 H new ATOM 0 HZ1 LYS A 3 -1.053 8.994 7.216 1.00 21.33 H new ATOM 0 HZ2 LYS A 3 -1.025 8.641 5.556 1.00 21.33 H new ATOM 0 HZ3 LYS A 3 0.425 8.960 6.381 1.00 21.33 H new ATOM 49 N VAL A 4 1.026 7.527 1.626 1.00 63.41 N ATOM 50 CA VAL A 4 0.833 6.129 1.156 1.00 63.12 C ATOM 51 C VAL A 4 0.172 5.261 2.237 1.00 40.02 C ATOM 52 O VAL A 4 0.386 5.479 3.430 1.00 63.34 O ATOM 53 CB VAL A 4 2.178 5.472 0.689 1.00 34.40 C ATOM 54 CG1 VAL A 4 3.163 5.266 1.858 1.00 13.13 C ATOM 55 CG2 VAL A 4 1.935 4.154 -0.076 1.00 51.14 C ATOM 0 H VAL A 4 1.696 7.619 2.389 1.00 63.41 H new ATOM 0 HA VAL A 4 0.168 6.182 0.294 1.00 63.12 H new ATOM 0 HB VAL A 4 2.643 6.174 -0.003 1.00 34.40 H new ATOM 0 HG11 VAL A 4 4.079 4.808 1.485 1.00 13.13 H new ATOM 0 HG12 VAL A 4 3.397 6.229 2.311 1.00 13.13 H new ATOM 0 HG13 VAL A 4 2.710 4.614 2.605 1.00 13.13 H new ATOM 0 HG21 VAL A 4 2.891 3.730 -0.383 1.00 51.14 H new ATOM 0 HG22 VAL A 4 1.416 3.448 0.572 1.00 51.14 H new ATOM 0 HG23 VAL A 4 1.326 4.352 -0.958 1.00 51.14 H new ATOM 65 N LEU A 5 -0.662 4.299 1.799 1.00 32.33 N ATOM 66 CA LEU A 5 -1.318 3.328 2.686 1.00 34.33 C ATOM 67 C LEU A 5 -0.732 1.928 2.460 1.00 13.13 C ATOM 68 O LEU A 5 -1.035 1.272 1.462 1.00 45.44 O ATOM 69 CB LEU A 5 -2.846 3.314 2.438 1.00 35.53 C ATOM 70 CG LEU A 5 -3.676 2.337 3.330 1.00 62.20 C ATOM 71 CD1 LEU A 5 -3.447 2.613 4.829 1.00 10.42 C ATOM 72 CD2 LEU A 5 -5.175 2.382 2.957 1.00 62.21 C ATOM 0 H LEU A 5 -0.899 4.176 0.815 1.00 32.33 H new ATOM 0 HA LEU A 5 -1.138 3.624 3.720 1.00 34.33 H new ATOM 0 HB2 LEU A 5 -3.228 4.324 2.588 1.00 35.53 H new ATOM 0 HB3 LEU A 5 -3.022 3.059 1.393 1.00 35.53 H new ATOM 0 HG LEU A 5 -3.324 1.324 3.136 1.00 62.20 H new ATOM 0 HD11 LEU A 5 -4.039 1.916 5.422 1.00 10.42 H new ATOM 0 HD12 LEU A 5 -2.391 2.484 5.065 1.00 10.42 H new ATOM 0 HD13 LEU A 5 -3.749 3.634 5.061 1.00 10.42 H new ATOM 0 HD21 LEU A 5 -5.729 1.692 3.594 1.00 62.21 H new ATOM 0 HD22 LEU A 5 -5.555 3.393 3.100 1.00 62.21 H new ATOM 0 HD23 LEU A 5 -5.299 2.092 1.914 1.00 62.21 H new ATOM 84 N LEU A 6 0.124 1.500 3.384 1.00 55.03 N ATOM 85 CA LEU A 6 0.684 0.151 3.406 1.00 13.13 C ATOM 86 C LEU A 6 -0.403 -0.845 3.882 1.00 22.43 C ATOM 87 O LEU A 6 -0.582 -1.055 5.088 1.00 4.21 O ATOM 88 CB LEU A 6 1.923 0.140 4.357 1.00 42.40 C ATOM 89 CG LEU A 6 2.765 -1.172 4.407 1.00 74.22 C ATOM 90 CD1 LEU A 6 3.385 -1.492 3.035 1.00 71.53 C ATOM 91 CD2 LEU A 6 3.845 -1.092 5.517 1.00 75.34 C ATOM 0 H LEU A 6 0.453 2.088 4.149 1.00 55.03 H new ATOM 0 HA LEU A 6 1.007 -0.151 2.410 1.00 13.13 H new ATOM 0 HB2 LEU A 6 2.584 0.955 4.062 1.00 42.40 H new ATOM 0 HB3 LEU A 6 1.577 0.359 5.367 1.00 42.40 H new ATOM 0 HG LEU A 6 2.094 -1.994 4.656 1.00 74.22 H new ATOM 0 HD11 LEU A 6 3.965 -2.412 3.104 1.00 71.53 H new ATOM 0 HD12 LEU A 6 2.592 -1.617 2.298 1.00 71.53 H new ATOM 0 HD13 LEU A 6 4.037 -0.673 2.731 1.00 71.53 H new ATOM 0 HD21 LEU A 6 4.420 -2.018 5.533 1.00 75.34 H new ATOM 0 HD22 LEU A 6 4.512 -0.254 5.315 1.00 75.34 H new ATOM 0 HD23 LEU A 6 3.363 -0.947 6.484 1.00 75.34 H new ATOM 103 N VAL A 7 -1.150 -1.415 2.919 1.00 34.10 N ATOM 104 CA VAL A 7 -2.161 -2.452 3.186 1.00 3.54 C ATOM 105 C VAL A 7 -1.462 -3.807 3.353 1.00 54.43 C ATOM 106 O VAL A 7 -1.004 -4.423 2.376 1.00 55.12 O ATOM 107 CB VAL A 7 -3.252 -2.539 2.045 1.00 11.12 C ATOM 108 CG1 VAL A 7 -4.243 -3.708 2.281 1.00 70.34 C ATOM 109 CG2 VAL A 7 -4.003 -1.199 1.916 1.00 64.25 C ATOM 0 H VAL A 7 -1.069 -1.168 1.933 1.00 34.10 H new ATOM 0 HA VAL A 7 -2.683 -2.181 4.104 1.00 3.54 H new ATOM 0 HB VAL A 7 -2.734 -2.741 1.107 1.00 11.12 H new ATOM 0 HG11 VAL A 7 -4.976 -3.732 1.475 1.00 70.34 H new ATOM 0 HG12 VAL A 7 -3.696 -4.650 2.302 1.00 70.34 H new ATOM 0 HG13 VAL A 7 -4.755 -3.564 3.232 1.00 70.34 H new ATOM 0 HG21 VAL A 7 -4.750 -1.275 1.126 1.00 64.25 H new ATOM 0 HG22 VAL A 7 -4.495 -0.965 2.860 1.00 64.25 H new ATOM 0 HG23 VAL A 7 -3.295 -0.407 1.670 1.00 64.25 H new ATOM 119 N ILE A 8 -1.328 -4.219 4.619 1.00 71.54 N ATOM 120 CA ILE A 8 -0.804 -5.528 4.996 1.00 62.11 C ATOM 121 C ILE A 8 -1.967 -6.509 5.183 1.00 14.12 C ATOM 122 O ILE A 8 -2.838 -6.323 6.057 1.00 13.31 O ATOM 123 CB ILE A 8 0.083 -5.449 6.292 1.00 42.24 C ATOM 124 CG1 ILE A 8 1.196 -4.370 6.097 1.00 63.41 C ATOM 125 CG2 ILE A 8 0.704 -6.834 6.632 1.00 64.43 C ATOM 126 CD1 ILE A 8 2.114 -4.188 7.278 1.00 45.35 C ATOM 0 H ILE A 8 -1.586 -3.641 5.419 1.00 71.54 H new ATOM 0 HA ILE A 8 -0.159 -5.886 4.194 1.00 62.11 H new ATOM 0 HB ILE A 8 -0.548 -5.161 7.133 1.00 42.24 H new ATOM 0 HG12 ILE A 8 1.795 -4.639 5.227 1.00 63.41 H new ATOM 0 HG13 ILE A 8 0.721 -3.415 5.873 1.00 63.41 H new ATOM 0 HG21 ILE A 8 1.312 -6.749 7.533 1.00 64.43 H new ATOM 0 HG22 ILE A 8 -0.093 -7.559 6.799 1.00 64.43 H new ATOM 0 HG23 ILE A 8 1.328 -7.166 5.803 1.00 64.43 H new ATOM 0 HD11 ILE A 8 2.853 -3.420 7.050 1.00 45.35 H new ATOM 0 HD12 ILE A 8 1.532 -3.884 8.148 1.00 45.35 H new ATOM 0 HD13 ILE A 8 2.623 -5.128 7.492 1.00 45.35 H new ATOM 138 N SER A 9 -1.993 -7.515 4.307 1.00 62.32 N ATOM 139 CA SER A 9 -2.941 -8.623 4.350 1.00 42.01 C ATOM 140 C SER A 9 -2.177 -9.915 4.003 1.00 10.34 C ATOM 141 O SER A 9 -1.174 -9.871 3.272 1.00 62.53 O ATOM 142 CB SER A 9 -4.084 -8.378 3.333 1.00 43.03 C ATOM 143 OG SER A 9 -4.614 -7.065 3.423 1.00 64.34 O ATOM 0 H SER A 9 -1.337 -7.581 3.529 1.00 62.32 H new ATOM 0 HA SER A 9 -3.385 -8.709 5.342 1.00 42.01 H new ATOM 0 HB2 SER A 9 -3.711 -8.548 2.323 1.00 43.03 H new ATOM 0 HB3 SER A 9 -4.881 -9.101 3.505 1.00 43.03 H new ATOM 0 HG SER A 9 -5.108 -6.969 4.264 1.00 64.34 H new ATOM 149 N THR A 10 -2.634 -11.053 4.535 1.00 12.10 N ATOM 150 CA THR A 10 -2.031 -12.361 4.237 1.00 22.14 C ATOM 151 C THR A 10 -2.734 -13.004 3.029 1.00 51.24 C ATOM 152 O THR A 10 -2.081 -13.520 2.116 1.00 41.32 O ATOM 153 CB THR A 10 -2.126 -13.302 5.481 1.00 21.42 C ATOM 154 OG1 THR A 10 -1.606 -12.619 6.627 1.00 13.21 O ATOM 155 CG2 THR A 10 -1.354 -14.619 5.285 1.00 34.24 C ATOM 0 H THR A 10 -3.424 -11.097 5.178 1.00 12.10 H new ATOM 0 HA THR A 10 -0.979 -12.213 3.995 1.00 22.14 H new ATOM 0 HB THR A 10 -3.177 -13.556 5.621 1.00 21.42 H new ATOM 0 HG1 THR A 10 -1.665 -13.204 7.411 1.00 13.21 H new ATOM 0 HG21 THR A 10 -1.453 -15.235 6.179 1.00 34.24 H new ATOM 0 HG22 THR A 10 -1.761 -15.155 4.428 1.00 34.24 H new ATOM 0 HG23 THR A 10 -0.301 -14.401 5.110 1.00 34.24 H new ATOM 163 N ASP A 11 -4.077 -12.946 3.044 1.00 71.01 N ATOM 164 CA ASP A 11 -4.936 -13.552 2.013 1.00 63.55 C ATOM 165 C ASP A 11 -4.803 -12.776 0.695 1.00 71.22 C ATOM 166 O ASP A 11 -5.476 -11.758 0.497 1.00 0.04 O ATOM 167 CB ASP A 11 -6.410 -13.577 2.496 1.00 71.13 C ATOM 168 CG ASP A 11 -6.588 -14.371 3.801 1.00 72.31 C ATOM 169 OD1 ASP A 11 -6.257 -13.837 4.877 1.00 31.24 O ATOM 170 OD2 ASP A 11 -7.029 -15.540 3.756 1.00 41.13 O ATOM 0 H ASP A 11 -4.601 -12.472 3.780 1.00 71.01 H new ATOM 0 HA ASP A 11 -4.617 -14.579 1.838 1.00 63.55 H new ATOM 0 HB2 ASP A 11 -6.757 -12.555 2.646 1.00 71.13 H new ATOM 0 HB3 ASP A 11 -7.036 -14.016 1.719 1.00 71.13 H new ATOM 175 N THR A 12 -3.900 -13.262 -0.182 1.00 32.41 N ATOM 176 CA THR A 12 -3.565 -12.614 -1.469 1.00 75.32 C ATOM 177 C THR A 12 -4.760 -12.581 -2.434 1.00 11.02 C ATOM 178 O THR A 12 -4.809 -11.742 -3.341 1.00 13.11 O ATOM 179 CB THR A 12 -2.346 -13.314 -2.146 1.00 14.34 C ATOM 180 OG1 THR A 12 -2.641 -14.700 -2.347 1.00 23.23 O ATOM 181 CG2 THR A 12 -1.054 -13.175 -1.309 1.00 61.34 C ATOM 0 H THR A 12 -3.378 -14.122 -0.016 1.00 32.41 H new ATOM 0 HA THR A 12 -3.299 -11.582 -1.240 1.00 75.32 H new ATOM 0 HB THR A 12 -2.172 -12.821 -3.103 1.00 14.34 H new ATOM 0 HG1 THR A 12 -1.876 -15.139 -2.774 1.00 23.23 H new ATOM 0 HG21 THR A 12 -0.233 -13.678 -1.820 1.00 61.34 H new ATOM 0 HG22 THR A 12 -0.812 -12.119 -1.186 1.00 61.34 H new ATOM 0 HG23 THR A 12 -1.204 -13.630 -0.330 1.00 61.34 H new ATOM 189 N ASN A 13 -5.700 -13.515 -2.223 1.00 31.30 N ATOM 190 CA ASN A 13 -6.987 -13.565 -2.934 1.00 62.44 C ATOM 191 C ASN A 13 -7.772 -12.264 -2.692 1.00 22.45 C ATOM 192 O ASN A 13 -8.259 -11.635 -3.637 1.00 61.44 O ATOM 193 CB ASN A 13 -7.830 -14.799 -2.482 1.00 2.30 C ATOM 194 CG ASN A 13 -7.140 -16.151 -2.722 1.00 12.04 C ATOM 195 OD1 ASN A 13 -5.918 -16.268 -2.651 1.00 40.31 O ATOM 196 ND2 ASN A 13 -7.916 -17.183 -3.011 1.00 63.11 N ATOM 0 H ASN A 13 -5.586 -14.268 -1.544 1.00 31.30 H new ATOM 0 HA ASN A 13 -6.786 -13.667 -4.000 1.00 62.44 H new ATOM 0 HB2 ASN A 13 -8.056 -14.702 -1.420 1.00 2.30 H new ATOM 0 HB3 ASN A 13 -8.782 -14.790 -3.013 1.00 2.30 H new ATOM 0 HD21 ASN A 13 -7.503 -18.100 -3.180 1.00 63.11 H new ATOM 0 HD22 ASN A 13 -8.927 -17.061 -3.064 1.00 63.11 H new ATOM 203 N ILE A 14 -7.840 -11.848 -1.410 1.00 35.33 N ATOM 204 CA ILE A 14 -8.538 -10.615 -0.994 1.00 23.33 C ATOM 205 C ILE A 14 -7.801 -9.372 -1.538 1.00 64.33 C ATOM 206 O ILE A 14 -8.424 -8.493 -2.129 1.00 24.34 O ATOM 207 CB ILE A 14 -8.667 -10.527 0.579 1.00 30.03 C ATOM 208 CG1 ILE A 14 -9.432 -11.767 1.156 1.00 31.03 C ATOM 209 CG2 ILE A 14 -9.341 -9.205 1.016 1.00 52.33 C ATOM 210 CD1 ILE A 14 -10.868 -11.945 0.666 1.00 31.00 C ATOM 0 H ILE A 14 -7.413 -12.357 -0.636 1.00 35.33 H new ATOM 0 HA ILE A 14 -9.544 -10.645 -1.412 1.00 23.33 H new ATOM 0 HB ILE A 14 -7.658 -10.536 0.992 1.00 30.03 H new ATOM 0 HG12 ILE A 14 -8.869 -12.666 0.908 1.00 31.03 H new ATOM 0 HG13 ILE A 14 -9.445 -11.689 2.243 1.00 31.03 H new ATOM 0 HG21 ILE A 14 -9.414 -9.176 2.103 1.00 52.33 H new ATOM 0 HG22 ILE A 14 -8.745 -8.361 0.670 1.00 52.33 H new ATOM 0 HG23 ILE A 14 -10.340 -9.145 0.583 1.00 52.33 H new ATOM 0 HD11 ILE A 14 -11.303 -12.832 1.127 1.00 31.00 H new ATOM 0 HD12 ILE A 14 -11.457 -11.069 0.938 1.00 31.00 H new ATOM 0 HD13 ILE A 14 -10.871 -12.061 -0.418 1.00 31.00 H new ATOM 222 N ILE A 15 -6.466 -9.350 -1.334 1.00 11.14 N ATOM 223 CA ILE A 15 -5.550 -8.275 -1.795 1.00 55.03 C ATOM 224 C ILE A 15 -5.780 -7.924 -3.280 1.00 74.31 C ATOM 225 O ILE A 15 -5.965 -6.749 -3.643 1.00 72.12 O ATOM 226 CB ILE A 15 -4.054 -8.731 -1.589 1.00 30.42 C ATOM 227 CG1 ILE A 15 -3.779 -9.026 -0.092 1.00 52.24 C ATOM 228 CG2 ILE A 15 -3.047 -7.706 -2.141 1.00 31.54 C ATOM 229 CD1 ILE A 15 -2.374 -9.514 0.214 1.00 31.23 C ATOM 0 H ILE A 15 -5.981 -10.094 -0.833 1.00 11.14 H new ATOM 0 HA ILE A 15 -5.757 -7.384 -1.203 1.00 55.03 H new ATOM 0 HB ILE A 15 -3.914 -9.648 -2.161 1.00 30.42 H new ATOM 0 HG12 ILE A 15 -3.967 -8.119 0.483 1.00 52.24 H new ATOM 0 HG13 ILE A 15 -4.492 -9.775 0.253 1.00 52.24 H new ATOM 0 HG21 ILE A 15 -2.032 -8.067 -1.974 1.00 31.54 H new ATOM 0 HG22 ILE A 15 -3.214 -7.572 -3.210 1.00 31.54 H new ATOM 0 HG23 ILE A 15 -3.181 -6.753 -1.630 1.00 31.54 H new ATOM 0 HD11 ILE A 15 -2.276 -9.694 1.285 1.00 31.23 H new ATOM 0 HD12 ILE A 15 -2.184 -10.440 -0.328 1.00 31.23 H new ATOM 0 HD13 ILE A 15 -1.651 -8.759 -0.095 1.00 31.23 H new ATOM 241 N SER A 16 -5.808 -8.981 -4.108 1.00 63.24 N ATOM 242 CA SER A 16 -5.942 -8.868 -5.555 1.00 12.21 C ATOM 243 C SER A 16 -7.347 -8.342 -5.922 1.00 54.21 C ATOM 244 O SER A 16 -7.464 -7.367 -6.659 1.00 23.22 O ATOM 245 CB SER A 16 -5.661 -10.244 -6.209 1.00 75.51 C ATOM 246 OG SER A 16 -5.526 -10.125 -7.616 1.00 2.35 O ATOM 0 H SER A 16 -5.737 -9.944 -3.780 1.00 63.24 H new ATOM 0 HA SER A 16 -5.214 -8.152 -5.936 1.00 12.21 H new ATOM 0 HB2 SER A 16 -4.750 -10.670 -5.788 1.00 75.51 H new ATOM 0 HB3 SER A 16 -6.473 -10.933 -5.976 1.00 75.51 H new ATOM 0 HG SER A 16 -6.347 -9.745 -7.992 1.00 2.35 H new ATOM 252 N SER A 17 -8.396 -8.967 -5.349 1.00 12.44 N ATOM 253 CA SER A 17 -9.809 -8.617 -5.634 1.00 22.51 C ATOM 254 C SER A 17 -10.104 -7.129 -5.356 1.00 33.44 C ATOM 255 O SER A 17 -10.647 -6.423 -6.211 1.00 4.11 O ATOM 256 CB SER A 17 -10.744 -9.505 -4.791 1.00 74.02 C ATOM 257 OG SER A 17 -10.503 -10.873 -5.065 1.00 12.13 O ATOM 0 H SER A 17 -8.291 -9.727 -4.677 1.00 12.44 H new ATOM 0 HA SER A 17 -9.987 -8.793 -6.695 1.00 22.51 H new ATOM 0 HB2 SER A 17 -10.587 -9.306 -3.731 1.00 74.02 H new ATOM 0 HB3 SER A 17 -11.783 -9.261 -5.010 1.00 74.02 H new ATOM 0 HG SER A 17 -9.666 -11.150 -4.637 1.00 12.13 H new ATOM 263 N VAL A 18 -9.702 -6.684 -4.157 1.00 52.11 N ATOM 264 CA VAL A 18 -9.877 -5.301 -3.686 1.00 51.44 C ATOM 265 C VAL A 18 -9.170 -4.305 -4.609 1.00 24.24 C ATOM 266 O VAL A 18 -9.795 -3.354 -5.098 1.00 71.30 O ATOM 267 CB VAL A 18 -9.315 -5.132 -2.224 1.00 75.33 C ATOM 268 CG1 VAL A 18 -9.266 -3.646 -1.790 1.00 63.22 C ATOM 269 CG2 VAL A 18 -10.130 -5.980 -1.227 1.00 73.44 C ATOM 0 H VAL A 18 -9.238 -7.284 -3.475 1.00 52.11 H new ATOM 0 HA VAL A 18 -10.947 -5.093 -3.692 1.00 51.44 H new ATOM 0 HB VAL A 18 -8.287 -5.496 -2.223 1.00 75.33 H new ATOM 0 HG11 VAL A 18 -8.872 -3.576 -0.776 1.00 63.22 H new ATOM 0 HG12 VAL A 18 -8.620 -3.090 -2.469 1.00 63.22 H new ATOM 0 HG13 VAL A 18 -10.271 -3.225 -1.819 1.00 63.22 H new ATOM 0 HG21 VAL A 18 -9.726 -5.849 -0.223 1.00 73.44 H new ATOM 0 HG22 VAL A 18 -11.172 -5.660 -1.243 1.00 73.44 H new ATOM 0 HG23 VAL A 18 -10.069 -7.031 -1.509 1.00 73.44 H new ATOM 279 N GLN A 19 -7.863 -4.549 -4.832 1.00 70.15 N ATOM 280 CA GLN A 19 -6.991 -3.606 -5.538 1.00 43.04 C ATOM 281 C GLN A 19 -7.458 -3.393 -6.984 1.00 11.12 C ATOM 282 O GLN A 19 -7.585 -2.257 -7.435 1.00 63.23 O ATOM 283 CB GLN A 19 -5.524 -4.088 -5.524 1.00 75.11 C ATOM 284 CG GLN A 19 -4.545 -3.053 -6.110 1.00 24.31 C ATOM 285 CD GLN A 19 -3.090 -3.497 -6.179 1.00 50.21 C ATOM 286 OE1 GLN A 19 -2.659 -4.347 -5.260 1.00 0.30 O flip ATOM 287 NE2 GLN A 19 -2.350 -3.059 -7.057 1.00 43.41 N flip ATOM 0 H GLN A 19 -7.391 -5.400 -4.528 1.00 70.15 H new ATOM 0 HA GLN A 19 -7.050 -2.654 -5.011 1.00 43.04 H new ATOM 0 HB2 GLN A 19 -5.232 -4.316 -4.499 1.00 75.11 H new ATOM 0 HB3 GLN A 19 -5.447 -5.015 -6.092 1.00 75.11 H new ATOM 0 HG2 GLN A 19 -4.876 -2.793 -7.115 1.00 24.31 H new ATOM 0 HG3 GLN A 19 -4.602 -2.144 -5.511 1.00 24.31 H new ATOM 0 HE21 GLN A 19 -2.713 -2.405 -7.751 1.00 43.41 H new ATOM 0 HE22 GLN A 19 -1.373 -3.349 -7.092 1.00 43.41 H new ATOM 296 N GLU A 20 -7.737 -4.509 -7.682 1.00 74.42 N ATOM 297 CA GLU A 20 -8.158 -4.494 -9.098 1.00 41.25 C ATOM 298 C GLU A 20 -9.501 -3.755 -9.274 1.00 12.41 C ATOM 299 O GLU A 20 -9.685 -3.025 -10.252 1.00 74.53 O ATOM 300 CB GLU A 20 -8.231 -5.941 -9.651 1.00 52.32 C ATOM 301 CG GLU A 20 -6.871 -6.677 -9.654 1.00 45.03 C ATOM 302 CD GLU A 20 -6.972 -8.116 -10.176 1.00 12.13 C ATOM 303 OE1 GLU A 20 -7.591 -8.957 -9.492 1.00 60.21 O ATOM 304 OE2 GLU A 20 -6.447 -8.415 -11.273 1.00 30.22 O ATOM 0 H GLU A 20 -7.678 -5.446 -7.283 1.00 74.42 H new ATOM 0 HA GLU A 20 -7.412 -3.946 -9.674 1.00 41.25 H new ATOM 0 HB2 GLU A 20 -8.942 -6.513 -9.054 1.00 52.32 H new ATOM 0 HB3 GLU A 20 -8.620 -5.912 -10.669 1.00 52.32 H new ATOM 0 HG2 GLU A 20 -6.164 -6.121 -10.270 1.00 45.03 H new ATOM 0 HG3 GLU A 20 -6.469 -6.691 -8.641 1.00 45.03 H new ATOM 311 N ARG A 21 -10.413 -3.924 -8.299 1.00 54.14 N ATOM 312 CA ARG A 21 -11.698 -3.190 -8.272 1.00 72.31 C ATOM 313 C ARG A 21 -11.471 -1.689 -8.016 1.00 0.34 C ATOM 314 O ARG A 21 -12.123 -0.860 -8.633 1.00 53.51 O ATOM 315 CB ARG A 21 -12.654 -3.774 -7.194 1.00 44.53 C ATOM 316 CG ARG A 21 -13.197 -5.180 -7.518 1.00 34.14 C ATOM 317 CD ARG A 21 -14.224 -5.677 -6.487 1.00 54.12 C ATOM 318 NE ARG A 21 -14.679 -7.042 -6.792 1.00 4.51 N ATOM 319 CZ ARG A 21 -15.746 -7.646 -6.245 1.00 74.11 C ATOM 320 NH1 ARG A 21 -16.507 -7.024 -5.345 1.00 30.12 N ATOM 321 NH2 ARG A 21 -16.046 -8.881 -6.601 1.00 1.35 N ATOM 0 H ARG A 21 -10.286 -4.564 -7.515 1.00 54.14 H new ATOM 0 HA ARG A 21 -12.164 -3.310 -9.250 1.00 72.31 H new ATOM 0 HB2 ARG A 21 -12.127 -3.812 -6.241 1.00 44.53 H new ATOM 0 HB3 ARG A 21 -13.496 -3.094 -7.065 1.00 44.53 H new ATOM 0 HG2 ARG A 21 -13.658 -5.167 -8.506 1.00 34.14 H new ATOM 0 HG3 ARG A 21 -12.366 -5.883 -7.563 1.00 34.14 H new ATOM 0 HD2 ARG A 21 -13.781 -5.654 -5.491 1.00 54.12 H new ATOM 0 HD3 ARG A 21 -15.080 -5.002 -6.471 1.00 54.12 H new ATOM 0 HE ARG A 21 -14.140 -7.573 -7.475 1.00 4.51 H new ATOM 0 HH11 ARG A 21 -16.283 -6.071 -5.059 1.00 30.12 H new ATOM 0 HH12 ARG A 21 -17.313 -7.501 -4.942 1.00 30.12 H new ATOM 0 HH21 ARG A 21 -15.469 -9.369 -7.286 1.00 1.35 H new ATOM 0 HH22 ARG A 21 -16.855 -9.348 -6.191 1.00 1.35 H new ATOM 335 N ALA A 22 -10.521 -1.365 -7.119 1.00 31.20 N ATOM 336 CA ALA A 22 -10.246 0.021 -6.686 1.00 53.32 C ATOM 337 C ALA A 22 -9.570 0.845 -7.803 1.00 21.05 C ATOM 338 O ALA A 22 -9.886 2.020 -7.988 1.00 20.14 O ATOM 339 CB ALA A 22 -9.390 0.009 -5.404 1.00 21.13 C ATOM 0 H ALA A 22 -9.920 -2.058 -6.672 1.00 31.20 H new ATOM 0 HA ALA A 22 -11.197 0.507 -6.468 1.00 53.32 H new ATOM 0 HB1 ALA A 22 -9.191 1.034 -5.090 1.00 21.13 H new ATOM 0 HB2 ALA A 22 -9.927 -0.515 -4.613 1.00 21.13 H new ATOM 0 HB3 ALA A 22 -8.447 -0.500 -5.601 1.00 21.13 H new ATOM 345 N LYS A 23 -8.657 0.206 -8.558 1.00 11.54 N ATOM 346 CA LYS A 23 -7.922 0.860 -9.674 1.00 24.54 C ATOM 347 C LYS A 23 -8.813 0.993 -10.923 1.00 23.43 C ATOM 348 O LYS A 23 -8.559 1.835 -11.789 1.00 65.35 O ATOM 349 CB LYS A 23 -6.625 0.073 -10.019 1.00 24.21 C ATOM 350 CG LYS A 23 -5.667 -0.117 -8.824 1.00 35.11 C ATOM 351 CD LYS A 23 -4.361 -0.865 -9.187 1.00 53.11 C ATOM 352 CE LYS A 23 -3.441 -0.051 -10.105 1.00 53.33 C ATOM 353 NZ LYS A 23 -2.155 -0.760 -10.363 1.00 72.21 N ATOM 0 H LYS A 23 -8.404 -0.772 -8.419 1.00 11.54 H new ATOM 0 HA LYS A 23 -7.644 1.861 -9.345 1.00 24.54 H new ATOM 0 HB2 LYS A 23 -6.900 -0.907 -10.410 1.00 24.21 H new ATOM 0 HB3 LYS A 23 -6.096 0.597 -10.815 1.00 24.21 H new ATOM 0 HG2 LYS A 23 -5.414 0.861 -8.414 1.00 35.11 H new ATOM 0 HG3 LYS A 23 -6.185 -0.668 -8.039 1.00 35.11 H new ATOM 0 HD2 LYS A 23 -3.824 -1.113 -8.271 1.00 53.11 H new ATOM 0 HD3 LYS A 23 -4.612 -1.807 -9.675 1.00 53.11 H new ATOM 0 HE2 LYS A 23 -3.947 0.141 -11.051 1.00 53.33 H new ATOM 0 HE3 LYS A 23 -3.238 0.918 -9.650 1.00 53.33 H new ATOM 0 HZ1 LYS A 23 -1.788 -0.485 -11.296 1.00 72.21 H new ATOM 0 HZ2 LYS A 23 -1.464 -0.503 -9.630 1.00 72.21 H new ATOM 0 HZ3 LYS A 23 -2.315 -1.787 -10.343 1.00 72.21 H new ATOM 367 N HIS A 24 -9.840 0.133 -11.010 1.00 1.33 N ATOM 368 CA HIS A 24 -10.830 0.159 -12.103 1.00 62.32 C ATOM 369 C HIS A 24 -11.947 1.167 -11.780 1.00 22.44 C ATOM 370 O HIS A 24 -12.498 1.809 -12.679 1.00 74.10 O ATOM 371 CB HIS A 24 -11.404 -1.265 -12.314 1.00 33.15 C ATOM 372 CG HIS A 24 -12.377 -1.395 -13.455 1.00 10.34 C ATOM 373 ND1 HIS A 24 -11.978 -1.549 -14.764 1.00 33.33 N ATOM 374 CD2 HIS A 24 -13.732 -1.401 -13.477 1.00 42.14 C ATOM 375 CE1 HIS A 24 -13.038 -1.652 -15.536 1.00 42.53 C ATOM 376 NE2 HIS A 24 -14.115 -1.561 -14.784 1.00 74.43 N ATOM 0 H HIS A 24 -10.009 -0.602 -10.324 1.00 1.33 H new ATOM 0 HA HIS A 24 -10.348 0.478 -13.027 1.00 62.32 H new ATOM 0 HB2 HIS A 24 -10.576 -1.953 -12.482 1.00 33.15 H new ATOM 0 HB3 HIS A 24 -11.899 -1.581 -11.396 1.00 33.15 H new ATOM 0 HD2 HIS A 24 -14.387 -1.299 -12.625 1.00 42.14 H new ATOM 0 HE1 HIS A 24 -13.027 -1.788 -16.607 1.00 42.53 H new ATOM 0 HE2 HIS A 24 -15.077 -1.603 -15.119 1.00 74.43 H new ATOM 385 N ASN A 25 -12.263 1.283 -10.482 1.00 23.44 N ATOM 386 CA ASN A 25 -13.289 2.210 -9.966 1.00 72.53 C ATOM 387 C ASN A 25 -12.743 3.646 -9.977 1.00 12.51 C ATOM 388 O ASN A 25 -13.496 4.614 -10.147 1.00 14.44 O ATOM 389 CB ASN A 25 -13.716 1.791 -8.523 1.00 64.14 C ATOM 390 CG ASN A 25 -14.942 2.545 -7.981 1.00 14.12 C ATOM 391 OD1 ASN A 25 -15.796 3.002 -8.738 1.00 61.25 O ATOM 392 ND2 ASN A 25 -15.055 2.636 -6.666 1.00 24.33 N ATOM 0 H ASN A 25 -11.811 0.732 -9.752 1.00 23.44 H new ATOM 0 HA ASN A 25 -14.169 2.167 -10.608 1.00 72.53 H new ATOM 0 HB2 ASN A 25 -13.929 0.722 -8.516 1.00 64.14 H new ATOM 0 HB3 ASN A 25 -12.876 1.953 -7.847 1.00 64.14 H new ATOM 0 HD21 ASN A 25 -15.868 3.095 -6.255 1.00 24.33 H new ATOM 0 HD22 ASN A 25 -14.330 2.247 -6.064 1.00 24.33 H new ATOM 399 N TYR A 26 -11.412 3.763 -9.785 1.00 31.02 N ATOM 400 CA TYR A 26 -10.691 5.043 -9.814 1.00 15.14 C ATOM 401 C TYR A 26 -9.498 4.938 -10.797 1.00 10.34 C ATOM 402 O TYR A 26 -8.365 4.675 -10.371 1.00 41.15 O ATOM 403 CB TYR A 26 -10.209 5.420 -8.383 1.00 32.13 C ATOM 404 CG TYR A 26 -11.298 5.319 -7.311 1.00 44.21 C ATOM 405 CD1 TYR A 26 -12.371 6.211 -7.290 1.00 35.14 C ATOM 406 CD2 TYR A 26 -11.276 4.311 -6.345 1.00 24.11 C ATOM 407 CE1 TYR A 26 -13.381 6.096 -6.359 1.00 73.02 C ATOM 408 CE2 TYR A 26 -12.278 4.201 -5.410 1.00 13.51 C ATOM 409 CZ TYR A 26 -13.331 5.095 -5.420 1.00 72.24 C ATOM 410 OH TYR A 26 -14.353 4.972 -4.497 1.00 22.13 O ATOM 0 H TYR A 26 -10.807 2.962 -9.604 1.00 31.02 H new ATOM 0 HA TYR A 26 -11.358 5.832 -10.159 1.00 15.14 H new ATOM 0 HB2 TYR A 26 -9.380 4.768 -8.107 1.00 32.13 H new ATOM 0 HB3 TYR A 26 -9.822 6.439 -8.398 1.00 32.13 H new ATOM 0 HD1 TYR A 26 -12.411 7.008 -8.018 1.00 35.14 H new ATOM 0 HD2 TYR A 26 -10.458 3.606 -6.332 1.00 24.11 H new ATOM 0 HE1 TYR A 26 -14.208 6.790 -6.368 1.00 73.02 H new ATOM 0 HE2 TYR A 26 -12.242 3.417 -4.669 1.00 13.51 H new ATOM 0 HH TYR A 26 -14.168 4.214 -3.903 1.00 22.13 H new ATOM 420 N PRO A 27 -9.749 5.079 -12.142 1.00 33.24 N ATOM 421 CA PRO A 27 -8.670 5.051 -13.166 1.00 71.54 C ATOM 422 C PRO A 27 -7.697 6.245 -13.038 1.00 0.43 C ATOM 423 O PRO A 27 -6.523 6.146 -13.422 1.00 32.43 O ATOM 424 CB PRO A 27 -9.438 5.092 -14.517 1.00 62.33 C ATOM 425 CG PRO A 27 -10.851 4.715 -14.176 1.00 35.25 C ATOM 426 CD PRO A 27 -11.083 5.236 -12.778 1.00 14.22 C ATOM 0 HA PRO A 27 -8.035 4.171 -13.061 1.00 71.54 H new ATOM 0 HB2 PRO A 27 -9.392 6.084 -14.966 1.00 62.33 H new ATOM 0 HB3 PRO A 27 -9.007 4.396 -15.237 1.00 62.33 H new ATOM 0 HG2 PRO A 27 -11.556 5.156 -14.881 1.00 35.25 H new ATOM 0 HG3 PRO A 27 -10.990 3.635 -14.220 1.00 35.25 H new ATOM 0 HD2 PRO A 27 -11.409 6.276 -12.783 1.00 14.22 H new ATOM 0 HD3 PRO A 27 -11.850 4.664 -12.255 1.00 14.22 H new ATOM 434 N GLY A 28 -8.214 7.375 -12.504 1.00 33.42 N ATOM 435 CA GLY A 28 -7.408 8.579 -12.272 1.00 21.34 C ATOM 436 C GLY A 28 -6.521 8.479 -11.033 1.00 60.41 C ATOM 437 O GLY A 28 -5.731 9.385 -10.755 1.00 43.32 O ATOM 0 H GLY A 28 -9.191 7.471 -12.227 1.00 33.42 H new ATOM 0 HA2 GLY A 28 -6.782 8.763 -13.145 1.00 21.34 H new ATOM 0 HA3 GLY A 28 -8.071 9.438 -12.168 1.00 21.34 H new ATOM 441 N ARG A 29 -6.668 7.372 -10.282 1.00 10.21 N ATOM 442 CA ARG A 29 -5.830 7.063 -9.114 1.00 10.44 C ATOM 443 C ARG A 29 -4.787 6.013 -9.479 1.00 31.24 C ATOM 444 O ARG A 29 -4.949 5.256 -10.448 1.00 51.03 O ATOM 445 CB ARG A 29 -6.691 6.550 -7.933 1.00 14.41 C ATOM 446 CG ARG A 29 -7.618 7.611 -7.319 1.00 53.51 C ATOM 447 CD ARG A 29 -6.846 8.797 -6.729 1.00 61.15 C ATOM 448 NE ARG A 29 -7.726 9.748 -6.051 1.00 3.43 N ATOM 449 CZ ARG A 29 -7.327 10.913 -5.526 1.00 2.41 C ATOM 450 NH1 ARG A 29 -6.053 11.302 -5.599 1.00 64.44 N ATOM 451 NH2 ARG A 29 -8.210 11.688 -4.921 1.00 63.02 N ATOM 0 H ARG A 29 -7.377 6.664 -10.472 1.00 10.21 H new ATOM 0 HA ARG A 29 -5.329 7.981 -8.806 1.00 10.44 H new ATOM 0 HB2 ARG A 29 -7.296 5.711 -8.277 1.00 14.41 H new ATOM 0 HB3 ARG A 29 -6.030 6.168 -7.155 1.00 14.41 H new ATOM 0 HG2 ARG A 29 -8.306 7.974 -8.083 1.00 53.51 H new ATOM 0 HG3 ARG A 29 -8.223 7.151 -6.538 1.00 53.51 H new ATOM 0 HD2 ARG A 29 -6.101 8.428 -6.024 1.00 61.15 H new ATOM 0 HD3 ARG A 29 -6.306 9.309 -7.525 1.00 61.15 H new ATOM 0 HE ARG A 29 -8.714 9.507 -5.973 1.00 3.43 H new ATOM 0 HH11 ARG A 29 -5.364 10.708 -6.061 1.00 64.44 H new ATOM 0 HH12 ARG A 29 -5.768 12.193 -5.193 1.00 64.44 H new ATOM 0 HH21 ARG A 29 -9.185 11.397 -4.857 1.00 63.02 H new ATOM 0 HH22 ARG A 29 -7.916 12.578 -4.518 1.00 63.02 H new ATOM 465 N GLU A 30 -3.722 5.977 -8.673 1.00 33.23 N ATOM 466 CA GLU A 30 -2.633 5.013 -8.801 1.00 74.12 C ATOM 467 C GLU A 30 -2.487 4.222 -7.495 1.00 22.43 C ATOM 468 O GLU A 30 -2.527 4.804 -6.400 1.00 74.25 O ATOM 469 CB GLU A 30 -1.320 5.749 -9.123 1.00 60.32 C ATOM 470 CG GLU A 30 -1.258 6.400 -10.513 1.00 32.13 C ATOM 471 CD GLU A 30 0.076 7.115 -10.742 1.00 24.05 C ATOM 472 OE1 GLU A 30 1.117 6.427 -10.869 1.00 54.43 O ATOM 473 OE2 GLU A 30 0.102 8.366 -10.781 1.00 34.30 O ATOM 0 H GLU A 30 -3.593 6.630 -7.900 1.00 33.23 H new ATOM 0 HA GLU A 30 -2.858 4.321 -9.612 1.00 74.12 H new ATOM 0 HB2 GLU A 30 -1.161 6.521 -8.370 1.00 60.32 H new ATOM 0 HB3 GLU A 30 -0.495 5.042 -9.033 1.00 60.32 H new ATOM 0 HG2 GLU A 30 -1.399 5.637 -11.279 1.00 32.13 H new ATOM 0 HG3 GLU A 30 -2.076 7.113 -10.618 1.00 32.13 H new ATOM 480 N ILE A 31 -2.326 2.898 -7.627 1.00 62.32 N ATOM 481 CA ILE A 31 -2.128 1.973 -6.500 1.00 25.11 C ATOM 482 C ILE A 31 -1.027 0.964 -6.886 1.00 11.44 C ATOM 483 O ILE A 31 -0.972 0.511 -8.036 1.00 35.03 O ATOM 484 CB ILE A 31 -3.459 1.212 -6.129 1.00 21.41 C ATOM 485 CG1 ILE A 31 -4.589 2.209 -5.710 1.00 54.21 C ATOM 486 CG2 ILE A 31 -3.216 0.172 -5.017 1.00 31.22 C ATOM 487 CD1 ILE A 31 -5.935 1.559 -5.461 1.00 15.22 C ATOM 0 H ILE A 31 -2.330 2.431 -8.534 1.00 62.32 H new ATOM 0 HA ILE A 31 -1.830 2.545 -5.621 1.00 25.11 H new ATOM 0 HB ILE A 31 -3.790 0.684 -7.023 1.00 21.41 H new ATOM 0 HG12 ILE A 31 -4.279 2.732 -4.805 1.00 54.21 H new ATOM 0 HG13 ILE A 31 -4.701 2.961 -6.491 1.00 54.21 H new ATOM 0 HG21 ILE A 31 -4.152 -0.336 -4.783 1.00 31.22 H new ATOM 0 HG22 ILE A 31 -2.481 -0.558 -5.356 1.00 31.22 H new ATOM 0 HG23 ILE A 31 -2.843 0.674 -4.124 1.00 31.22 H new ATOM 0 HD11 ILE A 31 -6.660 2.321 -5.175 1.00 15.22 H new ATOM 0 HD12 ILE A 31 -6.272 1.060 -6.370 1.00 15.22 H new ATOM 0 HD13 ILE A 31 -5.843 0.827 -4.658 1.00 15.22 H new ATOM 499 N ARG A 32 -0.161 0.636 -5.927 1.00 43.02 N ATOM 500 CA ARG A 32 0.987 -0.259 -6.124 1.00 34.43 C ATOM 501 C ARG A 32 0.765 -1.636 -5.470 1.00 72.23 C ATOM 502 O ARG A 32 -0.163 -1.835 -4.676 1.00 62.15 O ATOM 503 CB ARG A 32 2.248 0.407 -5.519 1.00 2.24 C ATOM 504 CG ARG A 32 2.771 1.645 -6.279 1.00 15.53 C ATOM 505 CD ARG A 32 3.264 1.312 -7.704 1.00 50.45 C ATOM 506 NE ARG A 32 4.080 2.397 -8.275 1.00 24.25 N ATOM 507 CZ ARG A 32 5.398 2.316 -8.541 1.00 5.30 C ATOM 508 NH1 ARG A 32 6.082 1.199 -8.299 1.00 0.41 N ATOM 509 NH2 ARG A 32 6.026 3.361 -9.048 1.00 41.13 N ATOM 0 H ARG A 32 -0.236 0.990 -4.973 1.00 43.02 H new ATOM 0 HA ARG A 32 1.113 -0.423 -7.194 1.00 34.43 H new ATOM 0 HB2 ARG A 32 2.027 0.698 -4.492 1.00 2.24 H new ATOM 0 HB3 ARG A 32 3.045 -0.335 -5.475 1.00 2.24 H new ATOM 0 HG2 ARG A 32 1.977 2.390 -6.339 1.00 15.53 H new ATOM 0 HG3 ARG A 32 3.587 2.094 -5.713 1.00 15.53 H new ATOM 0 HD2 ARG A 32 3.850 0.393 -7.679 1.00 50.45 H new ATOM 0 HD3 ARG A 32 2.406 1.126 -8.350 1.00 50.45 H new ATOM 0 HE ARG A 32 3.611 3.278 -8.485 1.00 24.25 H new ATOM 0 HH11 ARG A 32 5.608 0.386 -7.906 1.00 0.41 H new ATOM 0 HH12 ARG A 32 7.080 1.157 -8.507 1.00 0.41 H new ATOM 0 HH21 ARG A 32 5.513 4.222 -9.236 1.00 41.13 H new ATOM 0 HH22 ARG A 32 7.024 3.307 -9.252 1.00 41.13 H new ATOM 523 N THR A 33 1.660 -2.572 -5.829 1.00 21.23 N ATOM 524 CA THR A 33 1.747 -3.921 -5.257 1.00 62.41 C ATOM 525 C THR A 33 3.223 -4.241 -4.965 1.00 51.20 C ATOM 526 O THR A 33 4.088 -3.997 -5.822 1.00 12.43 O ATOM 527 CB THR A 33 1.196 -5.006 -6.250 1.00 11.30 C ATOM 528 OG1 THR A 33 -0.146 -4.690 -6.642 1.00 22.30 O ATOM 529 CG2 THR A 33 1.215 -6.413 -5.635 1.00 54.15 C ATOM 0 H THR A 33 2.363 -2.403 -6.548 1.00 21.23 H new ATOM 0 HA THR A 33 1.147 -3.943 -4.348 1.00 62.41 H new ATOM 0 HB THR A 33 1.853 -5.000 -7.120 1.00 11.30 H new ATOM 0 HG1 THR A 33 -0.728 -4.700 -5.854 1.00 22.30 H new ATOM 0 HG21 THR A 33 0.825 -7.131 -6.357 1.00 54.15 H new ATOM 0 HG22 THR A 33 2.238 -6.681 -5.372 1.00 54.15 H new ATOM 0 HG23 THR A 33 0.595 -6.427 -4.739 1.00 54.15 H new ATOM 537 N ALA A 34 3.517 -4.771 -3.767 1.00 25.23 N ATOM 538 CA ALA A 34 4.835 -5.344 -3.476 1.00 53.43 C ATOM 539 C ALA A 34 4.888 -6.783 -4.025 1.00 62.12 C ATOM 540 O ALA A 34 4.260 -7.702 -3.472 1.00 22.05 O ATOM 541 CB ALA A 34 5.121 -5.313 -1.976 1.00 54.54 C ATOM 0 H ALA A 34 2.860 -4.813 -2.988 1.00 25.23 H new ATOM 0 HA ALA A 34 5.607 -4.748 -3.963 1.00 53.43 H new ATOM 0 HB1 ALA A 34 6.104 -5.743 -1.784 1.00 54.54 H new ATOM 0 HB2 ALA A 34 5.101 -4.282 -1.623 1.00 54.54 H new ATOM 0 HB3 ALA A 34 4.363 -5.892 -1.449 1.00 54.54 H new ATOM 547 N THR A 35 5.598 -6.940 -5.147 1.00 3.14 N ATOM 548 CA THR A 35 5.865 -8.244 -5.794 1.00 32.13 C ATOM 549 C THR A 35 7.255 -8.776 -5.356 1.00 54.43 C ATOM 550 O THR A 35 7.555 -9.965 -5.498 1.00 64.41 O ATOM 551 CB THR A 35 5.781 -8.069 -7.357 1.00 20.30 C ATOM 552 OG1 THR A 35 4.535 -7.430 -7.699 1.00 74.43 O ATOM 553 CG2 THR A 35 5.879 -9.399 -8.134 1.00 60.13 C ATOM 0 H THR A 35 6.014 -6.154 -5.646 1.00 3.14 H new ATOM 0 HA THR A 35 5.118 -8.976 -5.486 1.00 32.13 H new ATOM 0 HB THR A 35 6.639 -7.461 -7.646 1.00 20.30 H new ATOM 0 HG1 THR A 35 4.481 -7.318 -8.671 1.00 74.43 H new ATOM 0 HG21 THR A 35 5.814 -9.201 -9.204 1.00 60.13 H new ATOM 0 HG22 THR A 35 6.831 -9.881 -7.912 1.00 60.13 H new ATOM 0 HG23 THR A 35 5.062 -10.056 -7.836 1.00 60.13 H new ATOM 561 N SER A 36 8.059 -7.879 -4.774 1.00 63.13 N ATOM 562 CA SER A 36 9.433 -8.150 -4.333 1.00 52.24 C ATOM 563 C SER A 36 9.872 -7.069 -3.314 1.00 73.54 C ATOM 564 O SER A 36 9.122 -6.108 -3.038 1.00 22.55 O ATOM 565 CB SER A 36 10.383 -8.168 -5.569 1.00 23.21 C ATOM 566 OG SER A 36 11.727 -8.443 -5.208 1.00 44.24 O ATOM 0 H SER A 36 7.765 -6.919 -4.592 1.00 63.13 H new ATOM 0 HA SER A 36 9.481 -9.124 -3.846 1.00 52.24 H new ATOM 0 HB2 SER A 36 10.038 -8.920 -6.279 1.00 23.21 H new ATOM 0 HB3 SER A 36 10.335 -7.204 -6.076 1.00 23.21 H new ATOM 0 HG SER A 36 12.287 -8.447 -6.012 1.00 44.24 H new ATOM 572 N SER A 37 11.100 -7.233 -2.783 1.00 3.51 N ATOM 573 CA SER A 37 11.731 -6.270 -1.850 1.00 75.24 C ATOM 574 C SER A 37 12.186 -5.000 -2.594 1.00 23.52 C ATOM 575 O SER A 37 12.362 -3.940 -1.979 1.00 53.45 O ATOM 576 CB SER A 37 12.937 -6.927 -1.145 1.00 73.40 C ATOM 577 OG SER A 37 12.571 -8.170 -0.588 1.00 73.51 O ATOM 0 H SER A 37 11.688 -8.041 -2.989 1.00 3.51 H new ATOM 0 HA SER A 37 10.990 -5.984 -1.103 1.00 75.24 H new ATOM 0 HB2 SER A 37 13.749 -7.067 -1.858 1.00 73.40 H new ATOM 0 HB3 SER A 37 13.311 -6.267 -0.362 1.00 73.40 H new ATOM 0 HG SER A 37 11.726 -8.074 -0.101 1.00 73.51 H new ATOM 583 N GLN A 38 12.394 -5.134 -3.925 1.00 30.25 N ATOM 584 CA GLN A 38 12.759 -4.010 -4.796 1.00 5.21 C ATOM 585 C GLN A 38 11.589 -3.024 -4.934 1.00 60.31 C ATOM 586 O GLN A 38 11.810 -1.818 -5.014 1.00 61.31 O ATOM 587 CB GLN A 38 13.225 -4.506 -6.197 1.00 20.44 C ATOM 588 CG GLN A 38 13.673 -3.381 -7.174 1.00 4.13 C ATOM 589 CD GLN A 38 15.076 -2.773 -6.935 1.00 34.42 C ATOM 590 OE1 GLN A 38 15.615 -2.805 -5.714 1.00 53.04 O flip ATOM 591 NE2 GLN A 38 15.693 -2.279 -7.873 1.00 24.23 N flip ATOM 0 H GLN A 38 12.312 -6.024 -4.416 1.00 30.25 H new ATOM 0 HA GLN A 38 13.596 -3.490 -4.330 1.00 5.21 H new ATOM 0 HB2 GLN A 38 14.053 -5.202 -6.063 1.00 20.44 H new ATOM 0 HB3 GLN A 38 12.410 -5.065 -6.658 1.00 20.44 H new ATOM 0 HG2 GLN A 38 13.643 -3.779 -8.188 1.00 4.13 H new ATOM 0 HG3 GLN A 38 12.940 -2.576 -7.125 1.00 4.13 H new ATOM 0 HE21 GLN A 38 15.275 -2.258 -8.803 1.00 24.23 H new ATOM 0 HE22 GLN A 38 16.624 -1.889 -7.723 1.00 24.23 H new ATOM 600 N ASP A 39 10.346 -3.558 -4.945 1.00 21.34 N ATOM 601 CA ASP A 39 9.114 -2.734 -4.990 1.00 1.32 C ATOM 602 C ASP A 39 9.059 -1.774 -3.800 1.00 61.43 C ATOM 603 O ASP A 39 8.719 -0.616 -3.961 1.00 64.34 O ATOM 604 CB ASP A 39 7.841 -3.614 -5.009 1.00 50.53 C ATOM 605 CG ASP A 39 7.712 -4.446 -6.290 1.00 23.14 C ATOM 606 OD1 ASP A 39 8.316 -5.528 -6.365 1.00 3.24 O ATOM 607 OD2 ASP A 39 7.013 -4.016 -7.227 1.00 54.14 O ATOM 0 H ASP A 39 10.168 -4.562 -4.923 1.00 21.34 H new ATOM 0 HA ASP A 39 9.146 -2.157 -5.914 1.00 1.32 H new ATOM 0 HB2 ASP A 39 7.854 -4.282 -4.148 1.00 50.53 H new ATOM 0 HB3 ASP A 39 6.963 -2.977 -4.905 1.00 50.53 H new ATOM 612 N ILE A 40 9.445 -2.281 -2.619 1.00 40.15 N ATOM 613 CA ILE A 40 9.537 -1.486 -1.381 1.00 51.41 C ATOM 614 C ILE A 40 10.381 -0.201 -1.610 1.00 74.23 C ATOM 615 O ILE A 40 9.981 0.894 -1.216 1.00 62.02 O ATOM 616 CB ILE A 40 10.158 -2.349 -0.218 1.00 44.51 C ATOM 617 CG1 ILE A 40 9.254 -3.586 0.132 1.00 14.42 C ATOM 618 CG2 ILE A 40 10.447 -1.491 1.027 1.00 73.21 C ATOM 619 CD1 ILE A 40 7.840 -3.259 0.612 1.00 60.20 C ATOM 0 H ILE A 40 9.704 -3.260 -2.494 1.00 40.15 H new ATOM 0 HA ILE A 40 8.529 -1.186 -1.094 1.00 51.41 H new ATOM 0 HB ILE A 40 11.112 -2.737 -0.576 1.00 44.51 H new ATOM 0 HG12 ILE A 40 9.180 -4.220 -0.751 1.00 14.42 H new ATOM 0 HG13 ILE A 40 9.754 -4.171 0.904 1.00 14.42 H new ATOM 0 HG21 ILE A 40 10.875 -2.118 1.810 1.00 73.21 H new ATOM 0 HG22 ILE A 40 11.152 -0.701 0.769 1.00 73.21 H new ATOM 0 HG23 ILE A 40 9.519 -1.046 1.385 1.00 73.21 H new ATOM 0 HD11 ILE A 40 7.305 -4.184 0.825 1.00 60.20 H new ATOM 0 HD12 ILE A 40 7.894 -2.654 1.517 1.00 60.20 H new ATOM 0 HD13 ILE A 40 7.312 -2.705 -0.164 1.00 60.20 H new ATOM 631 N ARG A 41 11.521 -0.361 -2.305 1.00 53.34 N ATOM 632 CA ARG A 41 12.457 0.751 -2.589 1.00 32.14 C ATOM 633 C ARG A 41 12.000 1.602 -3.794 1.00 34.42 C ATOM 634 O ARG A 41 12.225 2.814 -3.816 1.00 73.13 O ATOM 635 CB ARG A 41 13.881 0.188 -2.837 1.00 34.32 C ATOM 636 CG ARG A 41 14.464 -0.587 -1.639 1.00 55.01 C ATOM 637 CD ARG A 41 14.527 0.261 -0.357 1.00 64.31 C ATOM 638 NE ARG A 41 15.177 -0.449 0.753 1.00 62.15 N ATOM 639 CZ ARG A 41 16.135 0.068 1.534 1.00 41.31 C ATOM 640 NH1 ARG A 41 16.582 1.301 1.344 1.00 41.05 N ATOM 641 NH2 ARG A 41 16.622 -0.646 2.525 1.00 11.24 N ATOM 0 H ARG A 41 11.822 -1.258 -2.686 1.00 53.34 H new ATOM 0 HA ARG A 41 12.469 1.406 -1.718 1.00 32.14 H new ATOM 0 HB2 ARG A 41 13.854 -0.471 -3.705 1.00 34.32 H new ATOM 0 HB3 ARG A 41 14.549 1.013 -3.083 1.00 34.32 H new ATOM 0 HG2 ARG A 41 13.856 -1.473 -1.454 1.00 55.01 H new ATOM 0 HG3 ARG A 41 15.466 -0.935 -1.889 1.00 55.01 H new ATOM 0 HD2 ARG A 41 15.069 1.184 -0.562 1.00 64.31 H new ATOM 0 HD3 ARG A 41 13.517 0.544 -0.062 1.00 64.31 H new ATOM 0 HE ARG A 41 14.877 -1.405 0.943 1.00 62.15 H new ATOM 0 HH11 ARG A 41 16.196 1.873 0.593 1.00 41.05 H new ATOM 0 HH12 ARG A 41 17.312 1.678 1.949 1.00 41.05 H new ATOM 0 HH21 ARG A 41 16.270 -1.588 2.696 1.00 11.24 H new ATOM 0 HH22 ARG A 41 17.351 -0.258 3.123 1.00 11.24 H new ATOM 655 N ASP A 42 11.349 0.949 -4.770 1.00 23.13 N ATOM 656 CA ASP A 42 10.953 1.561 -6.056 1.00 53.35 C ATOM 657 C ASP A 42 9.748 2.507 -5.870 1.00 31.32 C ATOM 658 O ASP A 42 9.682 3.577 -6.488 1.00 2.52 O ATOM 659 CB ASP A 42 10.613 0.446 -7.090 1.00 12.11 C ATOM 660 CG ASP A 42 10.182 0.999 -8.464 1.00 50.32 C ATOM 661 OD1 ASP A 42 11.050 1.517 -9.207 1.00 12.21 O ATOM 662 OD2 ASP A 42 8.983 0.924 -8.811 1.00 53.13 O ATOM 0 H ASP A 42 11.078 -0.031 -4.691 1.00 23.13 H new ATOM 0 HA ASP A 42 11.789 2.152 -6.430 1.00 53.35 H new ATOM 0 HB2 ASP A 42 11.484 -0.196 -7.221 1.00 12.11 H new ATOM 0 HB3 ASP A 42 9.814 -0.179 -6.691 1.00 12.11 H new ATOM 667 N ILE A 43 8.807 2.095 -5.005 1.00 35.21 N ATOM 668 CA ILE A 43 7.591 2.870 -4.707 1.00 75.12 C ATOM 669 C ILE A 43 7.962 4.140 -3.923 1.00 40.43 C ATOM 670 O ILE A 43 7.554 5.238 -4.298 1.00 60.21 O ATOM 671 CB ILE A 43 6.543 2.014 -3.901 1.00 2.50 C ATOM 672 CG1 ILE A 43 6.135 0.739 -4.712 1.00 25.43 C ATOM 673 CG2 ILE A 43 5.296 2.864 -3.541 1.00 25.21 C ATOM 674 CD1 ILE A 43 5.437 -0.333 -3.888 1.00 62.24 C ATOM 0 H ILE A 43 8.868 1.215 -4.492 1.00 35.21 H new ATOM 0 HA ILE A 43 7.127 3.152 -5.652 1.00 75.12 H new ATOM 0 HB ILE A 43 7.009 1.691 -2.970 1.00 2.50 H new ATOM 0 HG12 ILE A 43 5.478 1.038 -5.529 1.00 25.43 H new ATOM 0 HG13 ILE A 43 7.029 0.309 -5.163 1.00 25.43 H new ATOM 0 HG21 ILE A 43 4.586 2.252 -2.985 1.00 25.21 H new ATOM 0 HG22 ILE A 43 5.599 3.714 -2.930 1.00 25.21 H new ATOM 0 HG23 ILE A 43 4.825 3.225 -4.456 1.00 25.21 H new ATOM 0 HD11 ILE A 43 5.190 -1.180 -4.528 1.00 62.24 H new ATOM 0 HD12 ILE A 43 6.098 -0.664 -3.087 1.00 62.24 H new ATOM 0 HD13 ILE A 43 4.523 0.076 -3.458 1.00 62.24 H new ATOM 686 N ILE A 44 8.769 3.968 -2.850 1.00 24.24 N ATOM 687 CA ILE A 44 9.255 5.091 -2.023 1.00 2.42 C ATOM 688 C ILE A 44 10.099 6.069 -2.876 1.00 43.34 C ATOM 689 O ILE A 44 9.972 7.281 -2.733 1.00 40.22 O ATOM 690 CB ILE A 44 10.058 4.567 -0.771 1.00 40.34 C ATOM 691 CG1 ILE A 44 9.130 3.688 0.133 1.00 63.12 C ATOM 692 CG2 ILE A 44 10.679 5.728 0.051 1.00 44.32 C ATOM 693 CD1 ILE A 44 9.822 3.073 1.333 1.00 2.44 C ATOM 0 H ILE A 44 9.098 3.054 -2.537 1.00 24.24 H new ATOM 0 HA ILE A 44 8.392 5.639 -1.646 1.00 2.42 H new ATOM 0 HB ILE A 44 10.883 3.957 -1.139 1.00 40.34 H new ATOM 0 HG12 ILE A 44 8.299 4.300 0.483 1.00 63.12 H new ATOM 0 HG13 ILE A 44 8.704 2.889 -0.474 1.00 63.12 H new ATOM 0 HG21 ILE A 44 11.222 5.320 0.903 1.00 44.32 H new ATOM 0 HG22 ILE A 44 11.365 6.294 -0.579 1.00 44.32 H new ATOM 0 HG23 ILE A 44 9.886 6.386 0.407 1.00 44.32 H new ATOM 0 HD11 ILE A 44 9.105 2.481 1.903 1.00 2.44 H new ATOM 0 HD12 ILE A 44 10.635 2.431 0.995 1.00 2.44 H new ATOM 0 HD13 ILE A 44 10.224 3.864 1.966 1.00 2.44 H new ATOM 705 N LYS A 45 10.910 5.515 -3.807 1.00 60.45 N ATOM 706 CA LYS A 45 11.671 6.305 -4.809 1.00 33.20 C ATOM 707 C LYS A 45 10.713 7.170 -5.661 1.00 21.44 C ATOM 708 O LYS A 45 10.935 8.372 -5.843 1.00 11.11 O ATOM 709 CB LYS A 45 12.474 5.342 -5.733 1.00 3.33 C ATOM 710 CG LYS A 45 13.278 6.016 -6.875 1.00 51.05 C ATOM 711 CD LYS A 45 14.437 6.908 -6.377 1.00 42.34 C ATOM 712 CE LYS A 45 15.517 6.103 -5.638 1.00 71.42 C ATOM 713 NZ LYS A 45 16.650 6.959 -5.194 1.00 74.34 N ATOM 0 H LYS A 45 11.057 4.509 -3.887 1.00 60.45 H new ATOM 0 HA LYS A 45 12.360 6.966 -4.283 1.00 33.20 H new ATOM 0 HB2 LYS A 45 13.166 4.770 -5.116 1.00 3.33 H new ATOM 0 HB3 LYS A 45 11.778 4.629 -6.176 1.00 3.33 H new ATOM 0 HG2 LYS A 45 13.682 5.243 -7.528 1.00 51.05 H new ATOM 0 HG3 LYS A 45 12.600 6.620 -7.477 1.00 51.05 H new ATOM 0 HD2 LYS A 45 14.888 7.422 -7.226 1.00 42.34 H new ATOM 0 HD3 LYS A 45 14.041 7.676 -5.713 1.00 42.34 H new ATOM 0 HE2 LYS A 45 15.073 5.612 -4.772 1.00 71.42 H new ATOM 0 HE3 LYS A 45 15.893 5.316 -6.292 1.00 71.42 H new ATOM 0 HZ1 LYS A 45 17.354 6.374 -4.700 1.00 74.34 H new ATOM 0 HZ2 LYS A 45 17.091 7.408 -6.022 1.00 74.34 H new ATOM 0 HZ3 LYS A 45 16.297 7.694 -4.549 1.00 74.34 H new ATOM 727 N SER A 46 9.633 6.528 -6.130 1.00 51.42 N ATOM 728 CA SER A 46 8.617 7.142 -7.008 1.00 61.34 C ATOM 729 C SER A 46 7.805 8.227 -6.257 1.00 44.12 C ATOM 730 O SER A 46 7.309 9.173 -6.871 1.00 24.25 O ATOM 731 CB SER A 46 7.681 6.023 -7.538 1.00 60.24 C ATOM 732 OG SER A 46 6.694 6.512 -8.426 1.00 41.53 O ATOM 0 H SER A 46 9.435 5.552 -5.908 1.00 51.42 H new ATOM 0 HA SER A 46 9.114 7.636 -7.843 1.00 61.34 H new ATOM 0 HB2 SER A 46 8.278 5.266 -8.046 1.00 60.24 H new ATOM 0 HB3 SER A 46 7.194 5.532 -6.695 1.00 60.24 H new ATOM 0 HG SER A 46 5.843 6.059 -8.251 1.00 41.53 H new ATOM 738 N MET A 47 7.683 8.064 -4.926 1.00 51.42 N ATOM 739 CA MET A 47 6.936 8.987 -4.048 1.00 51.31 C ATOM 740 C MET A 47 7.778 10.218 -3.693 1.00 3.52 C ATOM 741 O MET A 47 7.255 11.328 -3.613 1.00 72.31 O ATOM 742 CB MET A 47 6.514 8.266 -2.751 1.00 25.01 C ATOM 743 CG MET A 47 5.472 7.168 -2.932 1.00 53.44 C ATOM 744 SD MET A 47 5.120 6.320 -1.384 1.00 44.12 S ATOM 745 CE MET A 47 4.732 7.717 -0.331 1.00 14.41 C ATOM 0 H MET A 47 8.103 7.281 -4.425 1.00 51.42 H new ATOM 0 HA MET A 47 6.049 9.315 -4.590 1.00 51.31 H new ATOM 0 HB2 MET A 47 7.401 7.831 -2.290 1.00 25.01 H new ATOM 0 HB3 MET A 47 6.122 9.006 -2.053 1.00 25.01 H new ATOM 0 HG2 MET A 47 4.553 7.601 -3.327 1.00 53.44 H new ATOM 0 HG3 MET A 47 5.827 6.447 -3.669 1.00 53.44 H new ATOM 0 HE1 MET A 47 4.354 7.357 0.626 1.00 14.41 H new ATOM 0 HE2 MET A 47 5.632 8.309 -0.166 1.00 14.41 H new ATOM 0 HE3 MET A 47 3.974 8.335 -0.812 1.00 14.41 H new ATOM 755 N LYS A 48 9.076 9.995 -3.445 1.00 14.13 N ATOM 756 CA LYS A 48 10.031 11.076 -3.134 1.00 1.41 C ATOM 757 C LYS A 48 10.276 11.946 -4.381 1.00 4.31 C ATOM 758 O LYS A 48 10.493 13.154 -4.280 1.00 61.32 O ATOM 759 CB LYS A 48 11.358 10.475 -2.605 1.00 0.24 C ATOM 760 CG LYS A 48 11.217 9.726 -1.256 1.00 62.03 C ATOM 761 CD LYS A 48 12.498 8.959 -0.864 1.00 5.42 C ATOM 762 CE LYS A 48 13.708 9.875 -0.673 1.00 33.03 C ATOM 763 NZ LYS A 48 14.947 9.094 -0.394 1.00 64.44 N ATOM 0 H LYS A 48 9.496 9.065 -3.453 1.00 14.13 H new ATOM 0 HA LYS A 48 9.609 11.712 -2.356 1.00 1.41 H new ATOM 0 HB2 LYS A 48 11.756 9.787 -3.351 1.00 0.24 H new ATOM 0 HB3 LYS A 48 12.087 11.277 -2.489 1.00 0.24 H new ATOM 0 HG2 LYS A 48 10.973 10.442 -0.471 1.00 62.03 H new ATOM 0 HG3 LYS A 48 10.384 9.026 -1.319 1.00 62.03 H new ATOM 0 HD2 LYS A 48 12.317 8.408 0.059 1.00 5.42 H new ATOM 0 HD3 LYS A 48 12.725 8.223 -1.635 1.00 5.42 H new ATOM 0 HE2 LYS A 48 13.852 10.480 -1.568 1.00 33.03 H new ATOM 0 HE3 LYS A 48 13.518 10.564 0.150 1.00 33.03 H new ATOM 0 HZ1 LYS A 48 15.430 9.494 0.435 1.00 64.44 H new ATOM 0 HZ2 LYS A 48 14.697 8.103 -0.204 1.00 64.44 H new ATOM 0 HZ3 LYS A 48 15.579 9.140 -1.219 1.00 64.44 H new ATOM 777 N ASP A 49 10.209 11.296 -5.548 1.00 52.51 N ATOM 778 CA ASP A 49 10.392 11.937 -6.862 1.00 62.24 C ATOM 779 C ASP A 49 9.115 12.685 -7.285 1.00 43.45 C ATOM 780 O ASP A 49 9.182 13.796 -7.820 1.00 74.35 O ATOM 781 CB ASP A 49 10.777 10.857 -7.904 1.00 52.44 C ATOM 782 CG ASP A 49 11.077 11.438 -9.295 1.00 33.11 C ATOM 783 OD1 ASP A 49 12.186 11.981 -9.497 1.00 14.24 O ATOM 784 OD2 ASP A 49 10.221 11.345 -10.195 1.00 30.43 O ATOM 0 H ASP A 49 10.024 10.295 -5.611 1.00 52.51 H new ATOM 0 HA ASP A 49 11.194 12.672 -6.799 1.00 62.24 H new ATOM 0 HB2 ASP A 49 11.652 10.313 -7.548 1.00 52.44 H new ATOM 0 HB3 ASP A 49 9.965 10.135 -7.986 1.00 52.44 H new ATOM 789 N ASN A 50 7.953 12.065 -7.033 1.00 64.23 N ATOM 790 CA ASN A 50 6.636 12.654 -7.335 1.00 45.54 C ATOM 791 C ASN A 50 5.693 12.420 -6.140 1.00 52.00 C ATOM 792 O ASN A 50 5.180 11.305 -5.949 1.00 14.41 O ATOM 793 CB ASN A 50 6.047 12.044 -8.639 1.00 42.33 C ATOM 794 CG ASN A 50 4.729 12.684 -9.096 1.00 33.41 C ATOM 795 OD1 ASN A 50 3.833 12.002 -9.590 1.00 60.42 O ATOM 796 ND2 ASN A 50 4.616 14.003 -8.987 1.00 52.44 N ATOM 0 H ASN A 50 7.898 11.137 -6.612 1.00 64.23 H new ATOM 0 HA ASN A 50 6.747 13.726 -7.497 1.00 45.54 H new ATOM 0 HB2 ASN A 50 6.782 12.144 -9.438 1.00 42.33 H new ATOM 0 HB3 ASN A 50 5.886 10.977 -8.486 1.00 42.33 H new ATOM 0 HD21 ASN A 50 3.772 14.472 -9.317 1.00 52.44 H new ATOM 0 HD22 ASN A 50 5.373 14.547 -8.573 1.00 52.44 H new ATOM 803 N GLY A 51 5.498 13.478 -5.330 1.00 41.51 N ATOM 804 CA GLY A 51 4.697 13.413 -4.107 1.00 4.21 C ATOM 805 C GLY A 51 3.203 13.304 -4.387 1.00 54.10 C ATOM 806 O GLY A 51 2.545 14.316 -4.640 1.00 75.33 O ATOM 0 H GLY A 51 5.895 14.400 -5.511 1.00 41.51 H new ATOM 0 HA2 GLY A 51 5.015 12.555 -3.515 1.00 4.21 H new ATOM 0 HA3 GLY A 51 4.886 14.303 -3.506 1.00 4.21 H new ATOM 810 N LYS A 52 2.667 12.071 -4.339 1.00 63.20 N ATOM 811 CA LYS A 52 1.250 11.787 -4.659 1.00 52.31 C ATOM 812 C LYS A 52 0.670 10.709 -3.709 1.00 52.03 C ATOM 813 O LYS A 52 1.414 9.834 -3.241 1.00 52.24 O ATOM 814 CB LYS A 52 1.133 11.343 -6.147 1.00 73.21 C ATOM 815 CG LYS A 52 2.030 10.147 -6.532 1.00 2.14 C ATOM 816 CD LYS A 52 1.968 9.807 -8.037 1.00 24.45 C ATOM 817 CE LYS A 52 2.982 8.721 -8.426 1.00 45.33 C ATOM 818 NZ LYS A 52 2.986 8.463 -9.892 1.00 1.24 N ATOM 0 H LYS A 52 3.201 11.242 -4.078 1.00 63.20 H new ATOM 0 HA LYS A 52 0.665 12.695 -4.514 1.00 52.31 H new ATOM 0 HB2 LYS A 52 0.095 11.084 -6.355 1.00 73.21 H new ATOM 0 HB3 LYS A 52 1.384 12.189 -6.786 1.00 73.21 H new ATOM 0 HG2 LYS A 52 3.061 10.370 -6.258 1.00 2.14 H new ATOM 0 HG3 LYS A 52 1.728 9.273 -5.955 1.00 2.14 H new ATOM 0 HD2 LYS A 52 0.963 9.471 -8.291 1.00 24.45 H new ATOM 0 HD3 LYS A 52 2.160 10.708 -8.620 1.00 24.45 H new ATOM 0 HE2 LYS A 52 3.979 9.025 -8.109 1.00 45.33 H new ATOM 0 HE3 LYS A 52 2.747 7.798 -7.896 1.00 45.33 H new ATOM 0 HZ1 LYS A 52 2.531 7.548 -10.085 1.00 1.24 H new ATOM 0 HZ2 LYS A 52 2.463 9.219 -10.379 1.00 1.24 H new ATOM 0 HZ3 LYS A 52 3.966 8.442 -10.238 1.00 1.24 H new ATOM 832 N PRO A 53 -0.662 10.789 -3.369 1.00 40.44 N ATOM 833 CA PRO A 53 -1.362 9.738 -2.589 1.00 25.25 C ATOM 834 C PRO A 53 -1.340 8.360 -3.294 1.00 52.23 C ATOM 835 O PRO A 53 -1.891 8.204 -4.395 1.00 0.23 O ATOM 836 CB PRO A 53 -2.812 10.285 -2.453 1.00 60.21 C ATOM 837 CG PRO A 53 -2.678 11.767 -2.653 1.00 22.11 C ATOM 838 CD PRO A 53 -1.581 11.927 -3.676 1.00 71.54 C ATOM 0 HA PRO A 53 -0.882 9.556 -1.628 1.00 25.25 H new ATOM 0 HB2 PRO A 53 -3.474 9.843 -3.198 1.00 60.21 H new ATOM 0 HB3 PRO A 53 -3.233 10.053 -1.475 1.00 60.21 H new ATOM 0 HG2 PRO A 53 -3.613 12.203 -3.005 1.00 22.11 H new ATOM 0 HG3 PRO A 53 -2.423 12.269 -1.720 1.00 22.11 H new ATOM 0 HD2 PRO A 53 -1.967 11.870 -4.694 1.00 71.54 H new ATOM 0 HD3 PRO A 53 -1.077 12.889 -3.580 1.00 71.54 H new ATOM 846 N LEU A 54 -0.675 7.378 -2.663 1.00 43.21 N ATOM 847 CA LEU A 54 -0.601 5.986 -3.149 1.00 72.41 C ATOM 848 C LEU A 54 -1.125 5.015 -2.083 1.00 42.02 C ATOM 849 O LEU A 54 -1.412 5.406 -0.950 1.00 61.15 O ATOM 850 CB LEU A 54 0.867 5.614 -3.546 1.00 53.55 C ATOM 851 CG LEU A 54 1.432 6.290 -4.842 1.00 11.54 C ATOM 852 CD1 LEU A 54 2.879 5.835 -5.145 1.00 20.24 C ATOM 853 CD2 LEU A 54 0.510 6.015 -6.043 1.00 25.42 C ATOM 0 H LEU A 54 -0.167 7.528 -1.791 1.00 43.21 H new ATOM 0 HA LEU A 54 -1.229 5.903 -4.036 1.00 72.41 H new ATOM 0 HB2 LEU A 54 1.522 5.872 -2.713 1.00 53.55 H new ATOM 0 HB3 LEU A 54 0.923 4.533 -3.673 1.00 53.55 H new ATOM 0 HG LEU A 54 1.461 7.365 -4.664 1.00 11.54 H new ATOM 0 HD11 LEU A 54 3.233 6.327 -6.051 1.00 20.24 H new ATOM 0 HD12 LEU A 54 3.527 6.103 -4.310 1.00 20.24 H new ATOM 0 HD13 LEU A 54 2.898 4.755 -5.287 1.00 20.24 H new ATOM 0 HD21 LEU A 54 0.920 6.493 -6.933 1.00 25.42 H new ATOM 0 HD22 LEU A 54 0.439 4.940 -6.208 1.00 25.42 H new ATOM 0 HD23 LEU A 54 -0.482 6.417 -5.839 1.00 25.42 H new ATOM 865 N VAL A 55 -1.272 3.741 -2.481 1.00 44.20 N ATOM 866 CA VAL A 55 -1.648 2.627 -1.592 1.00 14.33 C ATOM 867 C VAL A 55 -0.803 1.399 -2.004 1.00 3.01 C ATOM 868 O VAL A 55 -0.875 0.979 -3.150 1.00 23.41 O ATOM 869 CB VAL A 55 -3.199 2.276 -1.695 1.00 24.52 C ATOM 870 CG1 VAL A 55 -3.559 1.085 -0.787 1.00 73.14 C ATOM 871 CG2 VAL A 55 -4.106 3.494 -1.374 1.00 41.42 C ATOM 0 H VAL A 55 -1.130 3.450 -3.448 1.00 44.20 H new ATOM 0 HA VAL A 55 -1.458 2.913 -0.558 1.00 14.33 H new ATOM 0 HB VAL A 55 -3.386 1.997 -2.732 1.00 24.52 H new ATOM 0 HG11 VAL A 55 -4.623 0.867 -0.877 1.00 73.14 H new ATOM 0 HG12 VAL A 55 -2.983 0.210 -1.089 1.00 73.14 H new ATOM 0 HG13 VAL A 55 -3.326 1.333 0.248 1.00 73.14 H new ATOM 0 HG21 VAL A 55 -5.152 3.201 -1.459 1.00 41.42 H new ATOM 0 HG22 VAL A 55 -3.907 3.839 -0.359 1.00 41.42 H new ATOM 0 HG23 VAL A 55 -3.897 4.299 -2.078 1.00 41.42 H new ATOM 881 N VAL A 56 0.035 0.861 -1.099 1.00 61.12 N ATOM 882 CA VAL A 56 0.845 -0.351 -1.375 1.00 3.23 C ATOM 883 C VAL A 56 0.193 -1.592 -0.758 1.00 13.01 C ATOM 884 O VAL A 56 0.209 -1.765 0.463 1.00 70.53 O ATOM 885 CB VAL A 56 2.319 -0.212 -0.826 1.00 65.41 C ATOM 886 CG1 VAL A 56 3.165 -1.497 -1.063 1.00 55.45 C ATOM 887 CG2 VAL A 56 3.001 1.013 -1.448 1.00 50.12 C ATOM 0 H VAL A 56 0.173 1.245 -0.164 1.00 61.12 H new ATOM 0 HA VAL A 56 0.889 -0.461 -2.459 1.00 3.23 H new ATOM 0 HB VAL A 56 2.254 -0.075 0.253 1.00 65.41 H new ATOM 0 HG11 VAL A 56 4.170 -1.349 -0.667 1.00 55.45 H new ATOM 0 HG12 VAL A 56 2.696 -2.340 -0.556 1.00 55.45 H new ATOM 0 HG13 VAL A 56 3.223 -1.703 -2.132 1.00 55.45 H new ATOM 0 HG21 VAL A 56 4.017 1.099 -1.062 1.00 50.12 H new ATOM 0 HG22 VAL A 56 3.033 0.901 -2.532 1.00 50.12 H new ATOM 0 HG23 VAL A 56 2.439 1.911 -1.193 1.00 50.12 H new ATOM 897 N PHE A 57 -0.393 -2.439 -1.609 1.00 44.01 N ATOM 898 CA PHE A 57 -0.825 -3.781 -1.214 1.00 33.32 C ATOM 899 C PHE A 57 0.388 -4.726 -1.219 1.00 40.32 C ATOM 900 O PHE A 57 0.920 -5.057 -2.286 1.00 31.43 O ATOM 901 CB PHE A 57 -1.914 -4.298 -2.180 1.00 11.10 C ATOM 902 CG PHE A 57 -3.298 -3.673 -2.007 1.00 20.23 C ATOM 903 CD1 PHE A 57 -3.573 -2.392 -2.473 1.00 53.42 C ATOM 904 CD2 PHE A 57 -4.329 -4.380 -1.381 1.00 3.55 C ATOM 905 CE1 PHE A 57 -4.832 -1.841 -2.327 1.00 25.10 C ATOM 906 CE2 PHE A 57 -5.582 -3.829 -1.236 1.00 15.25 C ATOM 907 CZ PHE A 57 -5.831 -2.556 -1.703 1.00 32.51 C ATOM 0 H PHE A 57 -0.580 -2.215 -2.586 1.00 44.01 H new ATOM 0 HA PHE A 57 -1.248 -3.745 -0.210 1.00 33.32 H new ATOM 0 HB2 PHE A 57 -1.581 -4.123 -3.203 1.00 11.10 H new ATOM 0 HB3 PHE A 57 -2.004 -5.377 -2.055 1.00 11.10 H new ATOM 0 HD1 PHE A 57 -2.793 -1.821 -2.955 1.00 53.42 H new ATOM 0 HD2 PHE A 57 -4.139 -5.375 -1.005 1.00 3.55 H new ATOM 0 HE1 PHE A 57 -5.033 -0.849 -2.703 1.00 25.10 H new ATOM 0 HE2 PHE A 57 -6.369 -4.393 -0.757 1.00 15.25 H new ATOM 0 HZ PHE A 57 -6.811 -2.118 -1.580 1.00 32.51 H new ATOM 917 N VAL A 58 0.844 -5.136 -0.026 1.00 31.23 N ATOM 918 CA VAL A 58 1.907 -6.146 0.107 1.00 12.11 C ATOM 919 C VAL A 58 1.275 -7.552 0.099 1.00 41.00 C ATOM 920 O VAL A 58 0.490 -7.906 0.992 1.00 42.12 O ATOM 921 CB VAL A 58 2.819 -5.910 1.381 1.00 24.32 C ATOM 922 CG1 VAL A 58 3.607 -4.590 1.245 1.00 1.23 C ATOM 923 CG2 VAL A 58 2.027 -5.927 2.703 1.00 4.02 C ATOM 0 H VAL A 58 0.492 -4.783 0.864 1.00 31.23 H new ATOM 0 HA VAL A 58 2.578 -6.053 -0.747 1.00 12.11 H new ATOM 0 HB VAL A 58 3.516 -6.747 1.422 1.00 24.32 H new ATOM 0 HG11 VAL A 58 4.228 -4.444 2.129 1.00 1.23 H new ATOM 0 HG12 VAL A 58 4.241 -4.634 0.359 1.00 1.23 H new ATOM 0 HG13 VAL A 58 2.909 -3.758 1.150 1.00 1.23 H new ATOM 0 HG21 VAL A 58 2.708 -5.760 3.537 1.00 4.02 H new ATOM 0 HG22 VAL A 58 1.274 -5.139 2.686 1.00 4.02 H new ATOM 0 HG23 VAL A 58 1.538 -6.894 2.822 1.00 4.02 H new ATOM 933 N ASN A 59 1.593 -8.342 -0.947 1.00 50.43 N ATOM 934 CA ASN A 59 1.005 -9.685 -1.149 1.00 72.34 C ATOM 935 C ASN A 59 1.705 -10.716 -0.263 1.00 64.34 C ATOM 936 O ASN A 59 2.608 -11.428 -0.713 1.00 55.13 O ATOM 937 CB ASN A 59 1.032 -10.115 -2.647 1.00 51.23 C ATOM 938 CG ASN A 59 0.120 -9.281 -3.547 1.00 22.43 C ATOM 939 OD1 ASN A 59 -0.125 -8.103 -3.293 1.00 31.40 O ATOM 940 ND2 ASN A 59 -0.383 -9.887 -4.616 1.00 3.51 N ATOM 0 H ASN A 59 2.259 -8.071 -1.671 1.00 50.43 H new ATOM 0 HA ASN A 59 -0.043 -9.634 -0.855 1.00 72.34 H new ATOM 0 HB2 ASN A 59 2.055 -10.044 -3.017 1.00 51.23 H new ATOM 0 HB3 ASN A 59 0.739 -11.162 -2.720 1.00 51.23 H new ATOM 0 HD21 ASN A 59 -0.991 -9.374 -5.254 1.00 3.51 H new ATOM 0 HD22 ASN A 59 -0.161 -10.866 -4.799 1.00 3.51 H new ATOM 947 N GLY A 60 1.286 -10.737 1.021 1.00 73.44 N ATOM 948 CA GLY A 60 1.845 -11.639 2.029 1.00 64.41 C ATOM 949 C GLY A 60 3.349 -11.470 2.233 1.00 25.12 C ATOM 950 O GLY A 60 4.036 -12.420 2.627 1.00 70.25 O ATOM 0 H GLY A 60 0.551 -10.127 1.379 1.00 73.44 H new ATOM 0 HA2 GLY A 60 1.337 -11.470 2.978 1.00 64.41 H new ATOM 0 HA3 GLY A 60 1.640 -12.669 1.737 1.00 64.41 H new ATOM 954 N ALA A 61 3.850 -10.246 1.944 1.00 10.13 N ATOM 955 CA ALA A 61 5.271 -9.893 2.098 1.00 23.31 C ATOM 956 C ALA A 61 5.659 -9.953 3.579 1.00 70.04 C ATOM 957 O ALA A 61 4.844 -9.596 4.450 1.00 54.24 O ATOM 958 CB ALA A 61 5.554 -8.497 1.516 1.00 11.20 C ATOM 0 H ALA A 61 3.275 -9.478 1.597 1.00 10.13 H new ATOM 0 HA ALA A 61 5.875 -10.612 1.545 1.00 23.31 H new ATOM 0 HB1 ALA A 61 6.610 -8.258 1.641 1.00 11.20 H new ATOM 0 HB2 ALA A 61 5.303 -8.487 0.455 1.00 11.20 H new ATOM 0 HB3 ALA A 61 4.950 -7.756 2.039 1.00 11.20 H new ATOM 964 N SER A 62 6.896 -10.396 3.852 1.00 55.45 N ATOM 965 CA SER A 62 7.367 -10.671 5.217 1.00 3.41 C ATOM 966 C SER A 62 7.497 -9.370 6.018 1.00 74.34 C ATOM 967 O SER A 62 7.510 -8.269 5.437 1.00 20.13 O ATOM 968 CB SER A 62 8.717 -11.413 5.144 1.00 4.12 C ATOM 969 OG SER A 62 8.636 -12.523 4.258 1.00 31.15 O ATOM 0 H SER A 62 7.597 -10.573 3.133 1.00 55.45 H new ATOM 0 HA SER A 62 6.641 -11.300 5.732 1.00 3.41 H new ATOM 0 HB2 SER A 62 9.495 -10.729 4.807 1.00 4.12 H new ATOM 0 HB3 SER A 62 9.003 -11.756 6.138 1.00 4.12 H new ATOM 0 HG SER A 62 9.503 -12.979 4.225 1.00 31.15 H new ATOM 975 N GLN A 63 7.601 -9.509 7.352 1.00 23.12 N ATOM 976 CA GLN A 63 7.729 -8.365 8.265 1.00 41.14 C ATOM 977 C GLN A 63 9.019 -7.569 7.964 1.00 4.12 C ATOM 978 O GLN A 63 9.069 -6.367 8.198 1.00 65.32 O ATOM 979 CB GLN A 63 7.675 -8.821 9.759 1.00 3.31 C ATOM 980 CG GLN A 63 7.771 -7.662 10.780 1.00 11.11 C ATOM 981 CD GLN A 63 6.737 -6.550 10.548 1.00 62.31 C ATOM 982 OE1 GLN A 63 5.605 -6.787 10.125 1.00 52.40 O ATOM 983 NE2 GLN A 63 7.147 -5.324 10.757 1.00 2.11 N ATOM 0 H GLN A 63 7.598 -10.414 7.823 1.00 23.12 H new ATOM 0 HA GLN A 63 6.879 -7.703 8.098 1.00 41.14 H new ATOM 0 HB2 GLN A 63 6.745 -9.363 9.928 1.00 3.31 H new ATOM 0 HB3 GLN A 63 8.490 -9.521 9.943 1.00 3.31 H new ATOM 0 HG2 GLN A 63 7.641 -8.063 11.785 1.00 11.11 H new ATOM 0 HG3 GLN A 63 8.771 -7.231 10.735 1.00 11.11 H new ATOM 0 HE21 GLN A 63 8.090 -5.154 11.108 1.00 2.11 H new ATOM 0 HE22 GLN A 63 6.524 -4.539 10.569 1.00 2.11 H new ATOM 992 N ASN A 64 10.041 -8.258 7.413 1.00 12.12 N ATOM 993 CA ASN A 64 11.289 -7.623 6.950 1.00 4.00 C ATOM 994 C ASN A 64 11.002 -6.578 5.853 1.00 42.11 C ATOM 995 O ASN A 64 11.498 -5.456 5.933 1.00 45.33 O ATOM 996 CB ASN A 64 12.309 -8.688 6.446 1.00 70.13 C ATOM 997 CG ASN A 64 12.964 -9.496 7.573 1.00 12.11 C ATOM 998 OD1 ASN A 64 12.394 -9.681 8.647 1.00 60.13 O ATOM 999 ND2 ASN A 64 14.164 -9.994 7.329 1.00 53.15 N ATOM 0 H ASN A 64 10.022 -9.269 7.278 1.00 12.12 H new ATOM 0 HA ASN A 64 11.735 -7.108 7.801 1.00 4.00 H new ATOM 0 HB2 ASN A 64 11.800 -9.373 5.768 1.00 70.13 H new ATOM 0 HB3 ASN A 64 13.087 -8.188 5.869 1.00 70.13 H new ATOM 0 HD21 ASN A 64 14.641 -10.548 8.041 1.00 53.15 H new ATOM 0 HD22 ASN A 64 14.613 -9.825 6.429 1.00 53.15 H new ATOM 1006 N ASP A 65 10.170 -6.957 4.863 1.00 60.12 N ATOM 1007 CA ASP A 65 9.750 -6.061 3.752 1.00 53.13 C ATOM 1008 C ASP A 65 9.005 -4.827 4.303 1.00 73.32 C ATOM 1009 O ASP A 65 9.244 -3.688 3.866 1.00 20.12 O ATOM 1010 CB ASP A 65 8.840 -6.827 2.749 1.00 43.21 C ATOM 1011 CG ASP A 65 9.537 -8.049 2.115 1.00 2.24 C ATOM 1012 OD1 ASP A 65 9.701 -9.079 2.815 1.00 63.54 O ATOM 1013 OD2 ASP A 65 9.959 -7.976 0.939 1.00 24.13 O ATOM 0 H ASP A 65 9.767 -7.892 4.805 1.00 60.12 H new ATOM 0 HA ASP A 65 10.645 -5.725 3.229 1.00 53.13 H new ATOM 0 HB2 ASP A 65 7.938 -7.157 3.264 1.00 43.21 H new ATOM 0 HB3 ASP A 65 8.525 -6.145 1.959 1.00 43.21 H new ATOM 1018 N VAL A 66 8.131 -5.090 5.291 1.00 11.34 N ATOM 1019 CA VAL A 66 7.363 -4.060 6.014 1.00 14.54 C ATOM 1020 C VAL A 66 8.313 -3.075 6.729 1.00 23.44 C ATOM 1021 O VAL A 66 8.107 -1.856 6.676 1.00 43.02 O ATOM 1022 CB VAL A 66 6.391 -4.731 7.057 1.00 13.14 C ATOM 1023 CG1 VAL A 66 5.627 -3.683 7.901 1.00 33.41 C ATOM 1024 CG2 VAL A 66 5.422 -5.705 6.343 1.00 13.44 C ATOM 0 H VAL A 66 7.935 -6.037 5.614 1.00 11.34 H new ATOM 0 HA VAL A 66 6.769 -3.504 5.289 1.00 14.54 H new ATOM 0 HB VAL A 66 6.999 -5.305 7.756 1.00 13.14 H new ATOM 0 HG11 VAL A 66 4.970 -4.192 8.606 1.00 33.41 H new ATOM 0 HG12 VAL A 66 6.340 -3.068 8.450 1.00 33.41 H new ATOM 0 HG13 VAL A 66 5.032 -3.049 7.243 1.00 33.41 H new ATOM 0 HG21 VAL A 66 4.757 -6.160 7.077 1.00 13.44 H new ATOM 0 HG22 VAL A 66 4.831 -5.157 5.609 1.00 13.44 H new ATOM 0 HG23 VAL A 66 5.995 -6.484 5.840 1.00 13.44 H new ATOM 1034 N ASN A 67 9.372 -3.633 7.354 1.00 13.42 N ATOM 1035 CA ASN A 67 10.385 -2.853 8.100 1.00 22.23 C ATOM 1036 C ASN A 67 11.102 -1.890 7.151 1.00 24.22 C ATOM 1037 O ASN A 67 11.208 -0.699 7.441 1.00 44.22 O ATOM 1038 CB ASN A 67 11.426 -3.775 8.806 1.00 5.31 C ATOM 1039 CG ASN A 67 10.844 -4.619 9.937 1.00 21.53 C ATOM 1040 OD1 ASN A 67 9.898 -4.217 10.612 1.00 72.20 O ATOM 1041 ND2 ASN A 67 11.419 -5.793 10.154 1.00 34.42 N ATOM 0 H ASN A 67 9.549 -4.637 7.356 1.00 13.42 H new ATOM 0 HA ASN A 67 9.864 -2.289 8.874 1.00 22.23 H new ATOM 0 HB2 ASN A 67 11.871 -4.438 8.064 1.00 5.31 H new ATOM 0 HB3 ASN A 67 12.231 -3.158 9.205 1.00 5.31 H new ATOM 0 HD21 ASN A 67 11.079 -6.397 10.902 1.00 34.42 H new ATOM 0 HD22 ASN A 67 12.202 -6.093 9.573 1.00 34.42 H new ATOM 1048 N GLU A 68 11.534 -2.426 5.992 1.00 12.43 N ATOM 1049 CA GLU A 68 12.247 -1.657 4.954 1.00 32.31 C ATOM 1050 C GLU A 68 11.403 -0.452 4.502 1.00 32.34 C ATOM 1051 O GLU A 68 11.912 0.665 4.379 1.00 21.13 O ATOM 1052 CB GLU A 68 12.574 -2.566 3.734 1.00 32.14 C ATOM 1053 CG GLU A 68 13.433 -3.802 4.048 1.00 42.13 C ATOM 1054 CD GLU A 68 14.855 -3.458 4.512 1.00 44.13 C ATOM 1055 OE1 GLU A 68 15.688 -3.100 3.653 1.00 42.23 O ATOM 1056 OE2 GLU A 68 15.151 -3.554 5.727 1.00 62.43 O ATOM 0 H GLU A 68 11.398 -3.407 5.749 1.00 12.43 H new ATOM 0 HA GLU A 68 13.181 -1.290 5.380 1.00 32.31 H new ATOM 0 HB2 GLU A 68 11.637 -2.899 3.288 1.00 32.14 H new ATOM 0 HB3 GLU A 68 13.089 -1.967 2.983 1.00 32.14 H new ATOM 0 HG2 GLU A 68 12.939 -4.391 4.821 1.00 42.13 H new ATOM 0 HG3 GLU A 68 13.491 -4.429 3.159 1.00 42.13 H new ATOM 1063 N PHE A 69 10.096 -0.709 4.304 1.00 24.41 N ATOM 1064 CA PHE A 69 9.136 0.296 3.830 1.00 51.44 C ATOM 1065 C PHE A 69 8.976 1.436 4.854 1.00 63.35 C ATOM 1066 O PHE A 69 9.200 2.611 4.530 1.00 54.54 O ATOM 1067 CB PHE A 69 7.760 -0.365 3.523 1.00 43.40 C ATOM 1068 CG PHE A 69 6.812 0.546 2.746 1.00 2.23 C ATOM 1069 CD1 PHE A 69 6.875 0.613 1.352 1.00 3.42 C ATOM 1070 CD2 PHE A 69 5.854 1.333 3.398 1.00 31.14 C ATOM 1071 CE1 PHE A 69 6.034 1.450 0.643 1.00 10.44 C ATOM 1072 CE2 PHE A 69 5.019 2.170 2.685 1.00 11.12 C ATOM 1073 CZ PHE A 69 5.099 2.215 1.308 1.00 44.14 C ATOM 0 H PHE A 69 9.678 -1.625 4.470 1.00 24.41 H new ATOM 0 HA PHE A 69 9.526 0.727 2.908 1.00 51.44 H new ATOM 0 HB2 PHE A 69 7.923 -1.279 2.952 1.00 43.40 H new ATOM 0 HB3 PHE A 69 7.287 -0.655 4.461 1.00 43.40 H new ATOM 0 HD1 PHE A 69 7.590 0.003 0.821 1.00 3.42 H new ATOM 0 HD2 PHE A 69 5.767 1.284 4.473 1.00 31.14 H new ATOM 0 HE1 PHE A 69 6.109 1.505 -0.433 1.00 10.44 H new ATOM 0 HE2 PHE A 69 4.303 2.790 3.205 1.00 11.12 H new ATOM 0 HZ PHE A 69 4.428 2.851 0.750 1.00 44.14 H new ATOM 1083 N GLN A 70 8.616 1.062 6.091 1.00 42.14 N ATOM 1084 CA GLN A 70 8.310 2.021 7.165 1.00 53.31 C ATOM 1085 C GLN A 70 9.546 2.856 7.541 1.00 35.13 C ATOM 1086 O GLN A 70 9.420 4.063 7.749 1.00 62.21 O ATOM 1087 CB GLN A 70 7.741 1.284 8.400 1.00 12.13 C ATOM 1088 CG GLN A 70 6.429 0.517 8.123 1.00 44.10 C ATOM 1089 CD GLN A 70 5.894 -0.280 9.320 1.00 1.12 C ATOM 1090 OE1 GLN A 70 4.687 -0.468 9.461 1.00 61.32 O ATOM 1091 NE2 GLN A 70 6.780 -0.780 10.174 1.00 41.13 N ATOM 0 H GLN A 70 8.529 0.086 6.376 1.00 42.14 H new ATOM 0 HA GLN A 70 7.551 2.711 6.796 1.00 53.31 H new ATOM 0 HB2 GLN A 70 8.489 0.582 8.769 1.00 12.13 H new ATOM 0 HB3 GLN A 70 7.565 2.009 9.194 1.00 12.13 H new ATOM 0 HG2 GLN A 70 5.667 1.229 7.806 1.00 44.10 H new ATOM 0 HG3 GLN A 70 6.592 -0.167 7.290 1.00 44.10 H new ATOM 0 HE21 GLN A 70 7.776 -0.609 10.034 1.00 41.13 H new ATOM 0 HE22 GLN A 70 6.465 -1.335 10.970 1.00 41.13 H new ATOM 1100 N ASN A 71 10.732 2.201 7.591 1.00 34.32 N ATOM 1101 CA ASN A 71 12.014 2.867 7.936 1.00 22.42 C ATOM 1102 C ASN A 71 12.378 3.943 6.898 1.00 71.04 C ATOM 1103 O ASN A 71 12.581 5.105 7.259 1.00 12.32 O ATOM 1104 CB ASN A 71 13.192 1.838 8.098 1.00 32.34 C ATOM 1105 CG ASN A 71 13.321 1.267 9.522 1.00 24.35 C ATOM 1106 OD1 ASN A 71 13.960 1.873 10.386 1.00 3.51 O ATOM 1107 ND2 ASN A 71 12.738 0.105 9.781 1.00 4.32 N ATOM 0 H ASN A 71 10.828 1.205 7.395 1.00 34.32 H new ATOM 0 HA ASN A 71 11.867 3.352 8.901 1.00 22.42 H new ATOM 0 HB2 ASN A 71 13.044 1.016 7.398 1.00 32.34 H new ATOM 0 HB3 ASN A 71 14.128 2.324 7.825 1.00 32.34 H new ATOM 0 HD21 ASN A 71 12.812 -0.307 10.711 1.00 4.32 H new ATOM 0 HD22 ASN A 71 12.215 -0.377 9.050 1.00 4.32 H new ATOM 1114 N GLU A 72 12.432 3.546 5.613 1.00 63.44 N ATOM 1115 CA GLU A 72 12.790 4.466 4.509 1.00 11.14 C ATOM 1116 C GLU A 72 11.752 5.573 4.309 1.00 43.00 C ATOM 1117 O GLU A 72 12.056 6.613 3.725 1.00 70.03 O ATOM 1118 CB GLU A 72 13.011 3.695 3.192 1.00 71.32 C ATOM 1119 CG GLU A 72 14.166 2.683 3.247 1.00 24.41 C ATOM 1120 CD GLU A 72 15.529 3.318 3.588 1.00 42.13 C ATOM 1121 OE1 GLU A 72 16.100 4.015 2.720 1.00 42.31 O ATOM 1122 OE2 GLU A 72 16.046 3.108 4.712 1.00 64.11 O ATOM 0 H GLU A 72 12.232 2.593 5.310 1.00 63.44 H new ATOM 0 HA GLU A 72 13.725 4.945 4.797 1.00 11.14 H new ATOM 0 HB2 GLU A 72 12.092 3.169 2.932 1.00 71.32 H new ATOM 0 HB3 GLU A 72 13.206 4.410 2.393 1.00 71.32 H new ATOM 0 HG2 GLU A 72 13.934 1.920 3.990 1.00 24.41 H new ATOM 0 HG3 GLU A 72 14.241 2.178 2.284 1.00 24.41 H new ATOM 1129 N ALA A 73 10.522 5.332 4.768 1.00 13.03 N ATOM 1130 CA ALA A 73 9.476 6.345 4.763 1.00 64.34 C ATOM 1131 C ALA A 73 9.733 7.413 5.855 1.00 24.42 C ATOM 1132 O ALA A 73 9.919 8.596 5.537 1.00 50.11 O ATOM 1133 CB ALA A 73 8.111 5.681 4.929 1.00 53.45 C ATOM 0 H ALA A 73 10.229 4.433 5.151 1.00 13.03 H new ATOM 0 HA ALA A 73 9.487 6.863 3.804 1.00 64.34 H new ATOM 0 HB1 ALA A 73 7.332 6.444 4.925 1.00 53.45 H new ATOM 0 HB2 ALA A 73 7.942 4.985 4.107 1.00 53.45 H new ATOM 0 HB3 ALA A 73 8.083 5.139 5.874 1.00 53.45 H new ATOM 1139 N LYS A 74 9.806 6.983 7.139 1.00 24.14 N ATOM 1140 CA LYS A 74 9.898 7.917 8.292 1.00 24.52 C ATOM 1141 C LYS A 74 11.198 8.745 8.285 1.00 10.22 C ATOM 1142 O LYS A 74 11.178 9.930 8.633 1.00 41.13 O ATOM 1143 CB LYS A 74 9.672 7.179 9.666 1.00 50.21 C ATOM 1144 CG LYS A 74 10.534 5.916 9.962 1.00 5.35 C ATOM 1145 CD LYS A 74 11.983 6.185 10.441 1.00 43.34 C ATOM 1146 CE LYS A 74 12.060 6.849 11.821 1.00 31.20 C ATOM 1147 NZ LYS A 74 13.473 7.062 12.250 1.00 12.12 N ATOM 0 H LYS A 74 9.803 5.998 7.403 1.00 24.14 H new ATOM 0 HA LYS A 74 9.083 8.631 8.175 1.00 24.52 H new ATOM 0 HB2 LYS A 74 9.847 7.899 10.466 1.00 50.21 H new ATOM 0 HB3 LYS A 74 8.623 6.889 9.722 1.00 50.21 H new ATOM 0 HG2 LYS A 74 10.025 5.322 10.721 1.00 5.35 H new ATOM 0 HG3 LYS A 74 10.577 5.309 9.058 1.00 5.35 H new ATOM 0 HD2 LYS A 74 12.528 5.242 10.470 1.00 43.34 H new ATOM 0 HD3 LYS A 74 12.485 6.821 9.712 1.00 43.34 H new ATOM 0 HE2 LYS A 74 11.539 7.806 11.794 1.00 31.20 H new ATOM 0 HE3 LYS A 74 11.546 6.227 12.554 1.00 31.20 H new ATOM 0 HZ1 LYS A 74 13.487 7.513 13.187 1.00 12.12 H new ATOM 0 HZ2 LYS A 74 13.963 6.146 12.299 1.00 12.12 H new ATOM 0 HZ3 LYS A 74 13.955 7.676 11.563 1.00 12.12 H new ATOM 1161 N LYS A 75 12.316 8.133 7.852 1.00 60.10 N ATOM 1162 CA LYS A 75 13.650 8.784 7.908 1.00 32.33 C ATOM 1163 C LYS A 75 13.781 9.909 6.864 1.00 34.22 C ATOM 1164 O LYS A 75 14.483 10.896 7.097 1.00 72.14 O ATOM 1165 CB LYS A 75 14.798 7.756 7.743 1.00 0.43 C ATOM 1166 CG LYS A 75 14.914 7.107 6.345 1.00 44.51 C ATOM 1167 CD LYS A 75 16.205 6.275 6.180 1.00 12.30 C ATOM 1168 CE LYS A 75 17.475 7.135 6.313 1.00 23.40 C ATOM 1169 NZ LYS A 75 18.718 6.324 6.214 1.00 33.40 N ATOM 0 H LYS A 75 12.328 7.192 7.460 1.00 60.10 H new ATOM 0 HA LYS A 75 13.737 9.231 8.898 1.00 32.33 H new ATOM 0 HB2 LYS A 75 15.741 8.251 7.974 1.00 0.43 H new ATOM 0 HB3 LYS A 75 14.663 6.966 8.481 1.00 0.43 H new ATOM 0 HG2 LYS A 75 14.049 6.466 6.173 1.00 44.51 H new ATOM 0 HG3 LYS A 75 14.889 7.887 5.584 1.00 44.51 H new ATOM 0 HD2 LYS A 75 16.224 5.485 6.930 1.00 12.30 H new ATOM 0 HD3 LYS A 75 16.199 5.788 5.205 1.00 12.30 H new ATOM 0 HE2 LYS A 75 17.478 7.897 5.534 1.00 23.40 H new ATOM 0 HE3 LYS A 75 17.459 7.657 7.270 1.00 23.40 H new ATOM 0 HZ1 LYS A 75 19.546 6.945 6.309 1.00 33.40 H new ATOM 0 HZ2 LYS A 75 18.730 5.613 6.973 1.00 33.40 H new ATOM 0 HZ3 LYS A 75 18.748 5.846 5.291 1.00 33.40 H new ATOM 1183 N GLU A 76 13.083 9.751 5.725 1.00 4.44 N ATOM 1184 CA GLU A 76 13.072 10.756 4.639 1.00 34.25 C ATOM 1185 C GLU A 76 11.946 11.789 4.856 1.00 3.21 C ATOM 1186 O GLU A 76 11.822 12.741 4.082 1.00 71.33 O ATOM 1187 CB GLU A 76 12.910 10.058 3.262 1.00 44.22 C ATOM 1188 CG GLU A 76 13.971 8.980 2.964 1.00 75.23 C ATOM 1189 CD GLU A 76 15.421 9.504 2.987 1.00 53.10 C ATOM 1190 OE1 GLU A 76 15.786 10.315 2.106 1.00 4.24 O ATOM 1191 OE2 GLU A 76 16.211 9.092 3.862 1.00 43.51 O ATOM 0 H GLU A 76 12.512 8.929 5.529 1.00 4.44 H new ATOM 0 HA GLU A 76 14.025 11.286 4.653 1.00 34.25 H new ATOM 0 HB2 GLU A 76 11.922 9.600 3.215 1.00 44.22 H new ATOM 0 HB3 GLU A 76 12.949 10.815 2.478 1.00 44.22 H new ATOM 0 HG2 GLU A 76 13.874 8.177 3.695 1.00 75.23 H new ATOM 0 HG3 GLU A 76 13.768 8.546 1.985 1.00 75.23 H new ATOM 1198 N GLY A 77 11.135 11.583 5.919 1.00 5.15 N ATOM 1199 CA GLY A 77 10.001 12.463 6.241 1.00 62.41 C ATOM 1200 C GLY A 77 8.733 12.144 5.457 1.00 3.35 C ATOM 1201 O GLY A 77 7.736 12.871 5.574 1.00 51.13 O ATOM 0 H GLY A 77 11.251 10.806 6.570 1.00 5.15 H new ATOM 0 HA2 GLY A 77 9.786 12.388 7.307 1.00 62.41 H new ATOM 0 HA3 GLY A 77 10.288 13.496 6.045 1.00 62.41 H new ATOM 1205 N VAL A 78 8.775 11.056 4.665 1.00 71.30 N ATOM 1206 CA VAL A 78 7.643 10.588 3.857 1.00 22.32 C ATOM 1207 C VAL A 78 6.474 10.201 4.778 1.00 43.24 C ATOM 1208 O VAL A 78 6.600 9.287 5.612 1.00 65.32 O ATOM 1209 CB VAL A 78 8.053 9.361 2.961 1.00 12.05 C ATOM 1210 CG1 VAL A 78 6.844 8.773 2.206 1.00 33.13 C ATOM 1211 CG2 VAL A 78 9.199 9.740 1.994 1.00 3.44 C ATOM 0 H VAL A 78 9.607 10.474 4.570 1.00 71.30 H new ATOM 0 HA VAL A 78 7.334 11.398 3.197 1.00 22.32 H new ATOM 0 HB VAL A 78 8.422 8.579 3.624 1.00 12.05 H new ATOM 0 HG11 VAL A 78 7.170 7.928 1.599 1.00 33.13 H new ATOM 0 HG12 VAL A 78 6.095 8.437 2.923 1.00 33.13 H new ATOM 0 HG13 VAL A 78 6.411 9.538 1.561 1.00 33.13 H new ATOM 0 HG21 VAL A 78 9.463 8.875 1.386 1.00 3.44 H new ATOM 0 HG22 VAL A 78 8.874 10.553 1.345 1.00 3.44 H new ATOM 0 HG23 VAL A 78 10.069 10.060 2.568 1.00 3.44 H new ATOM 1221 N SER A 79 5.354 10.919 4.618 1.00 34.53 N ATOM 1222 CA SER A 79 4.162 10.747 5.440 1.00 72.12 C ATOM 1223 C SER A 79 3.392 9.500 4.980 1.00 54.44 C ATOM 1224 O SER A 79 2.649 9.539 4.008 1.00 1.20 O ATOM 1225 CB SER A 79 3.304 12.027 5.353 1.00 2.30 C ATOM 1226 OG SER A 79 4.085 13.161 5.699 1.00 53.55 O ATOM 0 H SER A 79 5.255 11.642 3.905 1.00 34.53 H new ATOM 0 HA SER A 79 4.434 10.593 6.484 1.00 72.12 H new ATOM 0 HB2 SER A 79 2.909 12.142 4.344 1.00 2.30 H new ATOM 0 HB3 SER A 79 2.448 11.947 6.023 1.00 2.30 H new ATOM 0 HG SER A 79 3.533 13.969 5.639 1.00 53.55 H new ATOM 1232 N TYR A 80 3.628 8.378 5.665 1.00 52.13 N ATOM 1233 CA TYR A 80 3.013 7.074 5.340 1.00 51.33 C ATOM 1234 C TYR A 80 1.889 6.761 6.342 1.00 21.43 C ATOM 1235 O TYR A 80 1.654 7.514 7.298 1.00 43.04 O ATOM 1236 CB TYR A 80 4.089 5.942 5.347 1.00 31.41 C ATOM 1237 CG TYR A 80 4.700 5.639 6.726 1.00 62.41 C ATOM 1238 CD1 TYR A 80 5.646 6.495 7.296 1.00 62.40 C ATOM 1239 CD2 TYR A 80 4.324 4.509 7.467 1.00 3.30 C ATOM 1240 CE1 TYR A 80 6.187 6.239 8.535 1.00 34.32 C ATOM 1241 CE2 TYR A 80 4.864 4.261 8.713 1.00 71.45 C ATOM 1242 CZ TYR A 80 5.792 5.126 9.235 1.00 72.53 C ATOM 1243 OH TYR A 80 6.315 4.890 10.476 1.00 43.21 O ATOM 0 H TYR A 80 4.255 8.341 6.468 1.00 52.13 H new ATOM 0 HA TYR A 80 2.585 7.127 4.339 1.00 51.33 H new ATOM 0 HB2 TYR A 80 3.638 5.030 4.957 1.00 31.41 H new ATOM 0 HB3 TYR A 80 4.891 6.219 4.663 1.00 31.41 H new ATOM 0 HD1 TYR A 80 5.959 7.375 6.753 1.00 62.40 H new ATOM 0 HD2 TYR A 80 3.600 3.821 7.056 1.00 3.30 H new ATOM 0 HE1 TYR A 80 6.920 6.911 8.955 1.00 34.32 H new ATOM 0 HE2 TYR A 80 4.557 3.390 9.274 1.00 71.45 H new ATOM 0 HH TYR A 80 5.934 4.064 10.840 1.00 43.21 H new ATOM 1253 N ASP A 81 1.207 5.642 6.108 1.00 2.43 N ATOM 1254 CA ASP A 81 0.153 5.121 6.989 1.00 54.32 C ATOM 1255 C ASP A 81 0.060 3.604 6.792 1.00 11.22 C ATOM 1256 O ASP A 81 0.376 3.115 5.714 1.00 53.23 O ATOM 1257 CB ASP A 81 -1.193 5.818 6.666 1.00 4.21 C ATOM 1258 CG ASP A 81 -2.330 5.447 7.627 1.00 32.31 C ATOM 1259 OD1 ASP A 81 -2.099 5.396 8.859 1.00 23.32 O ATOM 1260 OD2 ASP A 81 -3.460 5.207 7.169 1.00 22.51 O ATOM 0 H ASP A 81 1.371 5.058 5.288 1.00 2.43 H new ATOM 0 HA ASP A 81 0.389 5.328 8.033 1.00 54.32 H new ATOM 0 HB2 ASP A 81 -1.047 6.898 6.691 1.00 4.21 H new ATOM 0 HB3 ASP A 81 -1.490 5.560 5.650 1.00 4.21 H new ATOM 1265 N VAL A 82 -0.355 2.858 7.832 1.00 45.52 N ATOM 1266 CA VAL A 82 -0.337 1.373 7.827 1.00 2.34 C ATOM 1267 C VAL A 82 -1.736 0.821 8.165 1.00 43.42 C ATOM 1268 O VAL A 82 -2.447 1.392 8.997 1.00 72.12 O ATOM 1269 CB VAL A 82 0.734 0.807 8.855 1.00 53.44 C ATOM 1270 CG1 VAL A 82 0.836 -0.736 8.786 1.00 23.01 C ATOM 1271 CG2 VAL A 82 2.123 1.458 8.630 1.00 40.44 C ATOM 0 H VAL A 82 -0.712 3.260 8.699 1.00 45.52 H new ATOM 0 HA VAL A 82 -0.055 1.045 6.827 1.00 2.34 H new ATOM 0 HB VAL A 82 0.390 1.071 9.855 1.00 53.44 H new ATOM 0 HG11 VAL A 82 1.579 -1.084 9.504 1.00 23.01 H new ATOM 0 HG12 VAL A 82 -0.133 -1.176 9.024 1.00 23.01 H new ATOM 0 HG13 VAL A 82 1.134 -1.036 7.781 1.00 23.01 H new ATOM 0 HG21 VAL A 82 2.836 1.052 9.348 1.00 40.44 H new ATOM 0 HG22 VAL A 82 2.465 1.244 7.618 1.00 40.44 H new ATOM 0 HG23 VAL A 82 2.046 2.537 8.767 1.00 40.44 H new ATOM 1281 N LEU A 83 -2.104 -0.298 7.514 1.00 73.43 N ATOM 1282 CA LEU A 83 -3.408 -0.960 7.673 1.00 3.43 C ATOM 1283 C LEU A 83 -3.202 -2.482 7.798 1.00 20.45 C ATOM 1284 O LEU A 83 -2.583 -3.094 6.932 1.00 72.31 O ATOM 1285 CB LEU A 83 -4.307 -0.633 6.447 1.00 33.33 C ATOM 1286 CG LEU A 83 -5.742 -1.251 6.430 1.00 24.12 C ATOM 1287 CD1 LEU A 83 -6.594 -0.760 7.622 1.00 22.45 C ATOM 1288 CD2 LEU A 83 -6.434 -0.960 5.077 1.00 45.32 C ATOM 0 H LEU A 83 -1.491 -0.774 6.852 1.00 73.43 H new ATOM 0 HA LEU A 83 -3.898 -0.597 8.577 1.00 3.43 H new ATOM 0 HB2 LEU A 83 -4.405 0.450 6.379 1.00 33.33 H new ATOM 0 HB3 LEU A 83 -3.786 -0.963 5.548 1.00 33.33 H new ATOM 0 HG LEU A 83 -5.646 -2.331 6.540 1.00 24.12 H new ATOM 0 HD11 LEU A 83 -7.584 -1.213 7.573 1.00 22.45 H new ATOM 0 HD12 LEU A 83 -6.111 -1.045 8.557 1.00 22.45 H new ATOM 0 HD13 LEU A 83 -6.689 0.325 7.579 1.00 22.45 H new ATOM 0 HD21 LEU A 83 -7.433 -1.396 5.078 1.00 45.32 H new ATOM 0 HD22 LEU A 83 -6.508 0.118 4.931 1.00 45.32 H new ATOM 0 HD23 LEU A 83 -5.849 -1.396 4.268 1.00 45.32 H new ATOM 1300 N LYS A 84 -3.706 -3.071 8.891 1.00 75.43 N ATOM 1301 CA LYS A 84 -3.716 -4.536 9.115 1.00 4.42 C ATOM 1302 C LYS A 84 -5.159 -5.053 9.008 1.00 2.24 C ATOM 1303 O LYS A 84 -5.972 -4.832 9.919 1.00 15.45 O ATOM 1304 CB LYS A 84 -3.114 -4.915 10.509 1.00 14.34 C ATOM 1305 CG LYS A 84 -1.583 -5.068 10.557 1.00 53.13 C ATOM 1306 CD LYS A 84 -0.810 -3.745 10.374 1.00 73.35 C ATOM 1307 CE LYS A 84 0.689 -3.925 10.637 1.00 64.00 C ATOM 1308 NZ LYS A 84 0.953 -4.479 11.988 1.00 20.30 N ATOM 0 H LYS A 84 -4.125 -2.544 9.657 1.00 75.43 H new ATOM 0 HA LYS A 84 -3.092 -5.003 8.352 1.00 4.42 H new ATOM 0 HB2 LYS A 84 -3.407 -4.152 11.230 1.00 14.34 H new ATOM 0 HB3 LYS A 84 -3.565 -5.852 10.836 1.00 14.34 H new ATOM 0 HG2 LYS A 84 -1.303 -5.510 11.513 1.00 53.13 H new ATOM 0 HG3 LYS A 84 -1.274 -5.767 9.780 1.00 53.13 H new ATOM 0 HD2 LYS A 84 -0.960 -3.373 9.360 1.00 73.35 H new ATOM 0 HD3 LYS A 84 -1.211 -2.992 11.053 1.00 73.35 H new ATOM 0 HE2 LYS A 84 1.112 -4.589 9.884 1.00 64.00 H new ATOM 0 HE3 LYS A 84 1.193 -2.964 10.534 1.00 64.00 H new ATOM 0 HZ1 LYS A 84 1.782 -4.006 12.401 1.00 20.30 H new ATOM 0 HZ2 LYS A 84 0.125 -4.320 12.596 1.00 20.30 H new ATOM 0 HZ3 LYS A 84 1.138 -5.500 11.915 1.00 20.30 H new ATOM 1322 N SER A 85 -5.460 -5.737 7.901 1.00 13.54 N ATOM 1323 CA SER A 85 -6.803 -6.287 7.628 1.00 12.13 C ATOM 1324 C SER A 85 -6.715 -7.343 6.526 1.00 62.25 C ATOM 1325 O SER A 85 -5.690 -7.465 5.877 1.00 3.42 O ATOM 1326 CB SER A 85 -7.773 -5.151 7.206 1.00 61.44 C ATOM 1327 OG SER A 85 -9.077 -5.632 6.891 1.00 41.42 O ATOM 0 H SER A 85 -4.782 -5.929 7.163 1.00 13.54 H new ATOM 0 HA SER A 85 -7.187 -6.752 8.536 1.00 12.13 H new ATOM 0 HB2 SER A 85 -7.844 -4.421 8.012 1.00 61.44 H new ATOM 0 HB3 SER A 85 -7.363 -4.631 6.340 1.00 61.44 H new ATOM 0 HG SER A 85 -9.747 -4.990 7.206 1.00 41.42 H new ATOM 1333 N THR A 86 -7.805 -8.107 6.352 1.00 23.51 N ATOM 1334 CA THR A 86 -7.993 -9.074 5.242 1.00 44.50 C ATOM 1335 C THR A 86 -9.479 -9.086 4.828 1.00 41.11 C ATOM 1336 O THR A 86 -9.926 -10.003 4.137 1.00 33.00 O ATOM 1337 CB THR A 86 -7.533 -10.532 5.641 1.00 12.32 C ATOM 1338 OG1 THR A 86 -8.076 -10.887 6.918 1.00 23.11 O ATOM 1339 CG2 THR A 86 -6.000 -10.678 5.687 1.00 2.11 C ATOM 0 H THR A 86 -8.601 -8.074 6.989 1.00 23.51 H new ATOM 0 HA THR A 86 -7.370 -8.755 4.406 1.00 44.50 H new ATOM 0 HB THR A 86 -7.908 -11.202 4.868 1.00 12.32 H new ATOM 0 HG1 THR A 86 -7.787 -11.793 7.156 1.00 23.11 H new ATOM 0 HG21 THR A 86 -5.740 -11.699 5.966 1.00 2.11 H new ATOM 0 HG22 THR A 86 -5.583 -10.453 4.705 1.00 2.11 H new ATOM 0 HG23 THR A 86 -5.590 -9.985 6.422 1.00 2.11 H new ATOM 1347 N ASP A 87 -10.233 -8.047 5.246 1.00 22.40 N ATOM 1348 CA ASP A 87 -11.669 -7.917 4.949 1.00 22.01 C ATOM 1349 C ASP A 87 -11.844 -7.196 3.599 1.00 0.20 C ATOM 1350 O ASP A 87 -11.433 -6.046 3.493 1.00 31.02 O ATOM 1351 CB ASP A 87 -12.391 -7.108 6.058 1.00 11.23 C ATOM 1352 CG ASP A 87 -12.247 -7.730 7.450 1.00 51.54 C ATOM 1353 OD1 ASP A 87 -12.987 -8.683 7.764 1.00 4.10 O ATOM 1354 OD2 ASP A 87 -11.386 -7.274 8.229 1.00 14.21 O ATOM 0 H ASP A 87 -9.859 -7.276 5.799 1.00 22.40 H new ATOM 0 HA ASP A 87 -12.107 -8.914 4.904 1.00 22.01 H new ATOM 0 HB2 ASP A 87 -11.992 -6.094 6.077 1.00 11.23 H new ATOM 0 HB3 ASP A 87 -13.450 -7.029 5.810 1.00 11.23 H new ATOM 1359 N PRO A 88 -12.441 -7.849 2.546 1.00 15.24 N ATOM 1360 CA PRO A 88 -12.599 -7.236 1.202 1.00 61.04 C ATOM 1361 C PRO A 88 -13.325 -5.875 1.232 1.00 72.42 C ATOM 1362 O PRO A 88 -12.796 -4.901 0.691 1.00 32.24 O ATOM 1363 CB PRO A 88 -13.374 -8.305 0.372 1.00 43.15 C ATOM 1364 CG PRO A 88 -13.928 -9.259 1.390 1.00 31.44 C ATOM 1365 CD PRO A 88 -12.963 -9.236 2.557 1.00 10.40 C ATOM 0 HA PRO A 88 -11.632 -6.993 0.762 1.00 61.04 H new ATOM 0 HB2 PRO A 88 -14.170 -7.848 -0.215 1.00 43.15 H new ATOM 0 HB3 PRO A 88 -12.714 -8.815 -0.329 1.00 43.15 H new ATOM 0 HG2 PRO A 88 -14.927 -8.956 1.704 1.00 31.44 H new ATOM 0 HG3 PRO A 88 -14.015 -10.264 0.976 1.00 31.44 H new ATOM 0 HD2 PRO A 88 -13.464 -9.469 3.497 1.00 10.40 H new ATOM 0 HD3 PRO A 88 -12.164 -9.967 2.432 1.00 10.40 H new ATOM 1373 N GLU A 89 -14.500 -5.806 1.901 1.00 1.04 N ATOM 1374 CA GLU A 89 -15.317 -4.570 1.947 1.00 75.24 C ATOM 1375 C GLU A 89 -14.568 -3.427 2.653 1.00 71.04 C ATOM 1376 O GLU A 89 -14.628 -2.269 2.208 1.00 62.33 O ATOM 1377 CB GLU A 89 -16.682 -4.823 2.637 1.00 24.11 C ATOM 1378 CG GLU A 89 -16.596 -5.237 4.120 1.00 52.22 C ATOM 1379 CD GLU A 89 -17.968 -5.488 4.752 1.00 40.33 C ATOM 1380 OE1 GLU A 89 -18.530 -6.591 4.559 1.00 24.44 O ATOM 1381 OE2 GLU A 89 -18.506 -4.579 5.424 1.00 3.30 O ATOM 0 H GLU A 89 -14.903 -6.590 2.415 1.00 1.04 H new ATOM 0 HA GLU A 89 -15.503 -4.270 0.916 1.00 75.24 H new ATOM 0 HB2 GLU A 89 -17.283 -3.917 2.563 1.00 24.11 H new ATOM 0 HB3 GLU A 89 -17.211 -5.602 2.088 1.00 24.11 H new ATOM 0 HG2 GLU A 89 -15.992 -6.141 4.205 1.00 52.22 H new ATOM 0 HG3 GLU A 89 -16.081 -4.456 4.680 1.00 52.22 H new ATOM 1388 N GLU A 90 -13.827 -3.784 3.728 1.00 64.20 N ATOM 1389 CA GLU A 90 -13.095 -2.817 4.546 1.00 74.11 C ATOM 1390 C GLU A 90 -11.939 -2.224 3.743 1.00 0.41 C ATOM 1391 O GLU A 90 -11.837 -1.015 3.635 1.00 72.31 O ATOM 1392 CB GLU A 90 -12.564 -3.438 5.862 1.00 13.33 C ATOM 1393 CG GLU A 90 -11.853 -2.406 6.761 1.00 45.32 C ATOM 1394 CD GLU A 90 -11.343 -2.983 8.084 1.00 62.13 C ATOM 1395 OE1 GLU A 90 -12.174 -3.327 8.948 1.00 65.42 O ATOM 1396 OE2 GLU A 90 -10.115 -3.055 8.283 1.00 60.12 O ATOM 0 H GLU A 90 -13.727 -4.749 4.043 1.00 64.20 H new ATOM 0 HA GLU A 90 -13.796 -2.029 4.821 1.00 74.11 H new ATOM 0 HB2 GLU A 90 -13.395 -3.881 6.411 1.00 13.33 H new ATOM 0 HB3 GLU A 90 -11.872 -4.246 5.625 1.00 13.33 H new ATOM 0 HG2 GLU A 90 -11.012 -1.980 6.214 1.00 45.32 H new ATOM 0 HG3 GLU A 90 -12.542 -1.588 6.974 1.00 45.32 H new ATOM 1403 N LEU A 91 -11.110 -3.103 3.147 1.00 11.12 N ATOM 1404 CA LEU A 91 -9.936 -2.697 2.349 1.00 20.14 C ATOM 1405 C LEU A 91 -10.349 -1.784 1.171 1.00 52.12 C ATOM 1406 O LEU A 91 -9.712 -0.764 0.925 1.00 21.24 O ATOM 1407 CB LEU A 91 -9.168 -3.948 1.822 1.00 11.05 C ATOM 1408 CG LEU A 91 -8.507 -4.886 2.883 1.00 73.15 C ATOM 1409 CD1 LEU A 91 -7.778 -6.072 2.204 1.00 4.13 C ATOM 1410 CD2 LEU A 91 -7.553 -4.112 3.801 1.00 43.04 C ATOM 0 H LEU A 91 -11.235 -4.114 3.205 1.00 11.12 H new ATOM 0 HA LEU A 91 -9.272 -2.130 3.001 1.00 20.14 H new ATOM 0 HB2 LEU A 91 -9.862 -4.545 1.231 1.00 11.05 H new ATOM 0 HB3 LEU A 91 -8.387 -3.603 1.144 1.00 11.05 H new ATOM 0 HG LEU A 91 -9.307 -5.291 3.503 1.00 73.15 H new ATOM 0 HD11 LEU A 91 -7.328 -6.707 2.967 1.00 4.13 H new ATOM 0 HD12 LEU A 91 -8.493 -6.654 1.623 1.00 4.13 H new ATOM 0 HD13 LEU A 91 -6.999 -5.690 1.544 1.00 4.13 H new ATOM 0 HD21 LEU A 91 -7.111 -4.795 4.526 1.00 43.04 H new ATOM 0 HD22 LEU A 91 -6.763 -3.657 3.204 1.00 43.04 H new ATOM 0 HD23 LEU A 91 -8.106 -3.333 4.326 1.00 43.04 H new ATOM 1422 N THR A 92 -11.452 -2.155 0.490 1.00 73.22 N ATOM 1423 CA THR A 92 -11.981 -1.433 -0.692 1.00 75.41 C ATOM 1424 C THR A 92 -12.407 0.006 -0.335 1.00 15.44 C ATOM 1425 O THR A 92 -12.041 0.968 -1.038 1.00 62.54 O ATOM 1426 CB THR A 92 -13.178 -2.230 -1.325 1.00 43.45 C ATOM 1427 OG1 THR A 92 -12.734 -3.545 -1.702 1.00 5.00 O ATOM 1428 CG2 THR A 92 -13.772 -1.544 -2.566 1.00 35.04 C ATOM 0 H THR A 92 -12.008 -2.971 0.745 1.00 73.22 H new ATOM 0 HA THR A 92 -11.180 -1.361 -1.428 1.00 75.41 H new ATOM 0 HB THR A 92 -13.958 -2.275 -0.565 1.00 43.45 H new ATOM 0 HG1 THR A 92 -12.716 -4.123 -0.911 1.00 5.00 H new ATOM 0 HG21 THR A 92 -14.594 -2.145 -2.955 1.00 35.04 H new ATOM 0 HG22 THR A 92 -14.142 -0.556 -2.293 1.00 35.04 H new ATOM 0 HG23 THR A 92 -13.002 -1.445 -3.331 1.00 35.04 H new ATOM 1436 N GLN A 93 -13.163 0.145 0.768 1.00 51.32 N ATOM 1437 CA GLN A 93 -13.635 1.456 1.233 1.00 72.12 C ATOM 1438 C GLN A 93 -12.491 2.255 1.901 1.00 10.15 C ATOM 1439 O GLN A 93 -12.488 3.475 1.848 1.00 30.24 O ATOM 1440 CB GLN A 93 -14.835 1.308 2.197 1.00 73.42 C ATOM 1441 CG GLN A 93 -14.508 0.699 3.577 1.00 31.13 C ATOM 1442 CD GLN A 93 -15.691 0.627 4.546 1.00 45.50 C ATOM 1443 OE1 GLN A 93 -15.764 -0.280 5.372 1.00 55.23 O ATOM 1444 NE2 GLN A 93 -16.591 1.609 4.499 1.00 62.13 N ATOM 0 H GLN A 93 -13.459 -0.637 1.353 1.00 51.32 H new ATOM 0 HA GLN A 93 -13.972 2.014 0.359 1.00 72.12 H new ATOM 0 HB2 GLN A 93 -15.279 2.292 2.350 1.00 73.42 H new ATOM 0 HB3 GLN A 93 -15.591 0.688 1.716 1.00 73.42 H new ATOM 0 HG2 GLN A 93 -14.116 -0.307 3.430 1.00 31.13 H new ATOM 0 HG3 GLN A 93 -13.714 1.287 4.038 1.00 31.13 H new ATOM 0 HE21 GLN A 93 -16.503 2.348 3.802 1.00 62.13 H new ATOM 0 HE22 GLN A 93 -17.367 1.621 5.160 1.00 62.13 H new ATOM 1453 N ARG A 94 -11.520 1.544 2.507 1.00 55.02 N ATOM 1454 CA ARG A 94 -10.400 2.158 3.254 1.00 43.02 C ATOM 1455 C ARG A 94 -9.439 2.858 2.276 1.00 12.13 C ATOM 1456 O ARG A 94 -8.919 3.931 2.586 1.00 23.41 O ATOM 1457 CB ARG A 94 -9.667 1.057 4.095 1.00 74.51 C ATOM 1458 CG ARG A 94 -9.109 1.506 5.462 1.00 44.52 C ATOM 1459 CD ARG A 94 -7.952 2.507 5.365 1.00 70.13 C ATOM 1460 NE ARG A 94 -7.286 2.719 6.654 1.00 2.24 N ATOM 1461 CZ ARG A 94 -6.314 3.610 6.869 1.00 35.55 C ATOM 1462 NH1 ARG A 94 -5.893 4.412 5.891 1.00 3.45 N ATOM 1463 NH2 ARG A 94 -5.722 3.663 8.047 1.00 64.01 N ATOM 0 H ARG A 94 -11.489 0.525 2.493 1.00 55.02 H new ATOM 0 HA ARG A 94 -10.782 2.913 3.942 1.00 43.02 H new ATOM 0 HB2 ARG A 94 -10.361 0.234 4.262 1.00 74.51 H new ATOM 0 HB3 ARG A 94 -8.843 0.663 3.500 1.00 74.51 H new ATOM 0 HG2 ARG A 94 -9.915 1.954 6.043 1.00 44.52 H new ATOM 0 HG3 ARG A 94 -8.771 0.627 6.011 1.00 44.52 H new ATOM 0 HD2 ARG A 94 -7.224 2.147 4.638 1.00 70.13 H new ATOM 0 HD3 ARG A 94 -8.330 3.460 4.993 1.00 70.13 H new ATOM 0 HE ARG A 94 -7.586 2.146 7.442 1.00 2.24 H new ATOM 0 HH11 ARG A 94 -6.314 4.350 4.964 1.00 3.45 H new ATOM 0 HH12 ARG A 94 -5.150 5.088 6.070 1.00 3.45 H new ATOM 0 HH21 ARG A 94 -6.007 3.025 8.790 1.00 64.01 H new ATOM 0 HH22 ARG A 94 -4.980 4.342 8.215 1.00 64.01 H new ATOM 1477 N VAL A 95 -9.219 2.219 1.110 1.00 71.24 N ATOM 1478 CA VAL A 95 -8.396 2.772 0.018 1.00 44.21 C ATOM 1479 C VAL A 95 -8.947 4.130 -0.450 1.00 13.43 C ATOM 1480 O VAL A 95 -8.218 5.114 -0.482 1.00 23.34 O ATOM 1481 CB VAL A 95 -8.310 1.762 -1.202 1.00 14.14 C ATOM 1482 CG1 VAL A 95 -7.728 2.420 -2.475 1.00 40.22 C ATOM 1483 CG2 VAL A 95 -7.486 0.511 -0.820 1.00 21.12 C ATOM 0 H VAL A 95 -9.609 1.301 0.899 1.00 71.24 H new ATOM 0 HA VAL A 95 -7.389 2.923 0.407 1.00 44.21 H new ATOM 0 HB VAL A 95 -9.332 1.460 -1.433 1.00 14.14 H new ATOM 0 HG11 VAL A 95 -7.691 1.686 -3.280 1.00 40.22 H new ATOM 0 HG12 VAL A 95 -8.361 3.255 -2.775 1.00 40.22 H new ATOM 0 HG13 VAL A 95 -6.721 2.784 -2.269 1.00 40.22 H new ATOM 0 HG21 VAL A 95 -7.440 -0.168 -1.671 1.00 21.12 H new ATOM 0 HG22 VAL A 95 -6.476 0.812 -0.541 1.00 21.12 H new ATOM 0 HG23 VAL A 95 -7.960 0.006 0.022 1.00 21.12 H new ATOM 1493 N ARG A 96 -10.251 4.168 -0.764 1.00 0.40 N ATOM 1494 CA ARG A 96 -10.894 5.366 -1.340 1.00 43.42 C ATOM 1495 C ARG A 96 -11.068 6.492 -0.304 1.00 1.14 C ATOM 1496 O ARG A 96 -10.947 7.678 -0.649 1.00 4.54 O ATOM 1497 CB ARG A 96 -12.221 4.970 -2.030 1.00 64.41 C ATOM 1498 CG ARG A 96 -13.298 4.272 -1.155 1.00 14.43 C ATOM 1499 CD ARG A 96 -14.379 5.225 -0.607 1.00 53.01 C ATOM 1500 NE ARG A 96 -15.196 5.796 -1.690 1.00 71.51 N ATOM 1501 CZ ARG A 96 -16.185 6.701 -1.544 1.00 24.15 C ATOM 1502 NH1 ARG A 96 -16.531 7.186 -0.347 1.00 62.53 N ATOM 1503 NH2 ARG A 96 -16.850 7.098 -2.619 1.00 60.01 N ATOM 0 H ARG A 96 -10.886 3.381 -0.629 1.00 0.40 H new ATOM 0 HA ARG A 96 -10.233 5.781 -2.101 1.00 43.42 H new ATOM 0 HB2 ARG A 96 -12.663 5.872 -2.454 1.00 64.41 H new ATOM 0 HB3 ARG A 96 -11.984 4.309 -2.864 1.00 64.41 H new ATOM 0 HG2 ARG A 96 -13.781 3.493 -1.745 1.00 14.43 H new ATOM 0 HG3 ARG A 96 -12.806 3.778 -0.317 1.00 14.43 H new ATOM 0 HD2 ARG A 96 -15.022 4.686 0.089 1.00 53.01 H new ATOM 0 HD3 ARG A 96 -13.905 6.030 -0.045 1.00 53.01 H new ATOM 0 HE ARG A 96 -14.996 5.478 -2.638 1.00 71.51 H new ATOM 0 HH11 ARG A 96 -16.042 6.872 0.491 1.00 62.53 H new ATOM 0 HH12 ARG A 96 -17.284 7.870 -0.272 1.00 62.53 H new ATOM 0 HH21 ARG A 96 -16.610 6.720 -3.535 1.00 60.01 H new ATOM 0 HH22 ARG A 96 -17.602 7.782 -2.530 1.00 60.01 H new ATOM 1517 N GLU A 97 -11.333 6.111 0.968 1.00 2.22 N ATOM 1518 CA GLU A 97 -11.368 7.074 2.090 1.00 41.41 C ATOM 1519 C GLU A 97 -9.974 7.667 2.321 1.00 73.14 C ATOM 1520 O GLU A 97 -9.834 8.848 2.674 1.00 10.23 O ATOM 1521 CB GLU A 97 -11.878 6.428 3.407 1.00 65.12 C ATOM 1522 CG GLU A 97 -13.362 6.014 3.400 1.00 61.42 C ATOM 1523 CD GLU A 97 -14.337 7.143 3.016 1.00 20.41 C ATOM 1524 OE1 GLU A 97 -14.209 8.276 3.539 1.00 65.15 O ATOM 1525 OE2 GLU A 97 -15.234 6.904 2.183 1.00 33.53 O ATOM 0 H GLU A 97 -11.525 5.147 1.240 1.00 2.22 H new ATOM 0 HA GLU A 97 -12.068 7.861 1.812 1.00 41.41 H new ATOM 0 HB2 GLU A 97 -11.272 5.547 3.620 1.00 65.12 H new ATOM 0 HB3 GLU A 97 -11.717 7.131 4.224 1.00 65.12 H new ATOM 0 HG2 GLU A 97 -13.492 5.186 2.703 1.00 61.42 H new ATOM 0 HG3 GLU A 97 -13.627 5.643 4.390 1.00 61.42 H new ATOM 1532 N PHE A 98 -8.946 6.828 2.102 1.00 41.54 N ATOM 1533 CA PHE A 98 -7.555 7.235 2.255 1.00 72.21 C ATOM 1534 C PHE A 98 -7.198 8.275 1.185 1.00 30.20 C ATOM 1535 O PHE A 98 -6.807 9.374 1.526 1.00 24.13 O ATOM 1536 CB PHE A 98 -6.602 6.020 2.187 1.00 52.43 C ATOM 1537 CG PHE A 98 -5.152 6.401 2.408 1.00 43.12 C ATOM 1538 CD1 PHE A 98 -4.674 6.635 3.696 1.00 53.31 C ATOM 1539 CD2 PHE A 98 -4.279 6.574 1.331 1.00 62.54 C ATOM 1540 CE1 PHE A 98 -3.376 7.027 3.901 1.00 52.33 C ATOM 1541 CE2 PHE A 98 -2.979 6.960 1.543 1.00 11.25 C ATOM 1542 CZ PHE A 98 -2.531 7.191 2.829 1.00 42.14 C ATOM 0 H PHE A 98 -9.064 5.856 1.816 1.00 41.54 H new ATOM 0 HA PHE A 98 -7.433 7.686 3.240 1.00 72.21 H new ATOM 0 HB2 PHE A 98 -6.899 5.288 2.938 1.00 52.43 H new ATOM 0 HB3 PHE A 98 -6.703 5.538 1.214 1.00 52.43 H new ATOM 0 HD1 PHE A 98 -5.333 6.506 4.542 1.00 53.31 H new ATOM 0 HD2 PHE A 98 -4.630 6.403 0.324 1.00 62.54 H new ATOM 0 HE1 PHE A 98 -3.018 7.207 4.904 1.00 52.33 H new ATOM 0 HE2 PHE A 98 -2.308 7.083 0.706 1.00 11.25 H new ATOM 0 HZ PHE A 98 -1.510 7.503 2.993 1.00 42.14 H new ATOM 1552 N LEU A 99 -7.376 7.905 -0.103 1.00 50.32 N ATOM 1553 CA LEU A 99 -7.089 8.777 -1.276 1.00 72.14 C ATOM 1554 C LEU A 99 -7.823 10.139 -1.176 1.00 74.13 C ATOM 1555 O LEU A 99 -7.319 11.173 -1.640 1.00 62.13 O ATOM 1556 CB LEU A 99 -7.505 8.036 -2.581 1.00 32.11 C ATOM 1557 CG LEU A 99 -6.779 6.676 -2.857 1.00 61.03 C ATOM 1558 CD1 LEU A 99 -7.462 5.893 -4.002 1.00 42.14 C ATOM 1559 CD2 LEU A 99 -5.274 6.882 -3.142 1.00 25.42 C ATOM 0 H LEU A 99 -7.726 6.984 -0.366 1.00 50.32 H new ATOM 0 HA LEU A 99 -6.019 8.986 -1.292 1.00 72.14 H new ATOM 0 HB2 LEU A 99 -8.579 7.852 -2.544 1.00 32.11 H new ATOM 0 HB3 LEU A 99 -7.324 8.700 -3.426 1.00 32.11 H new ATOM 0 HG LEU A 99 -6.862 6.076 -1.951 1.00 61.03 H new ATOM 0 HD11 LEU A 99 -6.933 4.955 -4.167 1.00 42.14 H new ATOM 0 HD12 LEU A 99 -8.497 5.683 -3.732 1.00 42.14 H new ATOM 0 HD13 LEU A 99 -7.438 6.488 -4.915 1.00 42.14 H new ATOM 0 HD21 LEU A 99 -4.804 5.917 -3.329 1.00 25.42 H new ATOM 0 HD22 LEU A 99 -5.153 7.520 -4.018 1.00 25.42 H new ATOM 0 HD23 LEU A 99 -4.802 7.355 -2.281 1.00 25.42 H new ATOM 1571 N LYS A 100 -9.016 10.097 -0.553 1.00 21.25 N ATOM 1572 CA LYS A 100 -9.839 11.281 -0.256 1.00 63.51 C ATOM 1573 C LYS A 100 -9.113 12.231 0.729 1.00 32.14 C ATOM 1574 O LYS A 100 -8.871 13.398 0.413 1.00 4.05 O ATOM 1575 CB LYS A 100 -11.188 10.800 0.341 1.00 15.14 C ATOM 1576 CG LYS A 100 -12.209 11.903 0.686 1.00 74.30 C ATOM 1577 CD LYS A 100 -13.500 11.321 1.311 1.00 71.24 C ATOM 1578 CE LYS A 100 -14.203 10.284 0.409 1.00 73.14 C ATOM 1579 NZ LYS A 100 -14.640 10.863 -0.893 1.00 43.33 N ATOM 0 H LYS A 100 -9.440 9.225 -0.238 1.00 21.25 H new ATOM 0 HA LYS A 100 -10.016 11.842 -1.173 1.00 63.51 H new ATOM 0 HB2 LYS A 100 -11.651 10.113 -0.367 1.00 15.14 H new ATOM 0 HB3 LYS A 100 -10.979 10.231 1.247 1.00 15.14 H new ATOM 0 HG2 LYS A 100 -11.757 12.611 1.380 1.00 74.30 H new ATOM 0 HG3 LYS A 100 -12.462 12.459 -0.217 1.00 74.30 H new ATOM 0 HD2 LYS A 100 -13.255 10.855 2.265 1.00 71.24 H new ATOM 0 HD3 LYS A 100 -14.192 12.136 1.523 1.00 71.24 H new ATOM 0 HE2 LYS A 100 -13.526 9.450 0.223 1.00 73.14 H new ATOM 0 HE3 LYS A 100 -15.070 9.880 0.932 1.00 73.14 H new ATOM 0 HZ1 LYS A 100 -15.106 10.127 -1.461 1.00 43.33 H new ATOM 0 HZ2 LYS A 100 -15.308 11.641 -0.720 1.00 43.33 H new ATOM 0 HZ3 LYS A 100 -13.812 11.225 -1.407 1.00 43.33 H new ATOM 1593 N THR A 101 -8.722 11.699 1.904 1.00 72.44 N ATOM 1594 CA THR A 101 -8.142 12.517 2.996 1.00 12.33 C ATOM 1595 C THR A 101 -6.639 12.798 2.773 1.00 33.32 C ATOM 1596 O THR A 101 -6.088 13.756 3.332 1.00 20.22 O ATOM 1597 CB THR A 101 -8.382 11.847 4.399 1.00 71.15 C ATOM 1598 OG1 THR A 101 -7.998 12.738 5.474 1.00 24.14 O ATOM 1599 CG2 THR A 101 -7.623 10.512 4.552 1.00 41.00 C ATOM 0 H THR A 101 -8.796 10.706 2.124 1.00 72.44 H new ATOM 0 HA THR A 101 -8.659 13.476 2.983 1.00 12.33 H new ATOM 0 HB THR A 101 -9.451 11.640 4.458 1.00 71.15 H new ATOM 0 HG1 THR A 101 -8.158 12.299 6.336 1.00 24.14 H new ATOM 0 HG21 THR A 101 -7.822 10.091 5.537 1.00 41.00 H new ATOM 0 HG22 THR A 101 -7.957 9.814 3.785 1.00 41.00 H new ATOM 0 HG23 THR A 101 -6.553 10.687 4.442 1.00 41.00 H new ATOM 1607 N ALA A 102 -6.005 11.975 1.920 1.00 3.13 N ATOM 1608 CA ALA A 102 -4.551 11.995 1.674 1.00 54.51 C ATOM 1609 C ALA A 102 -4.137 13.166 0.769 1.00 12.54 C ATOM 1610 O ALA A 102 -2.980 13.594 0.798 1.00 43.45 O ATOM 1611 CB ALA A 102 -4.122 10.663 1.038 1.00 54.14 C ATOM 0 H ALA A 102 -6.495 11.266 1.374 1.00 3.13 H new ATOM 0 HA ALA A 102 -4.050 12.130 2.632 1.00 54.51 H new ATOM 0 HB1 ALA A 102 -3.047 10.676 0.856 1.00 54.14 H new ATOM 0 HB2 ALA A 102 -4.365 9.842 1.713 1.00 54.14 H new ATOM 0 HB3 ALA A 102 -4.649 10.524 0.094 1.00 54.14 H new ATOM 1617 N GLY A 103 -5.086 13.640 -0.060 1.00 64.43 N ATOM 1618 CA GLY A 103 -4.838 14.752 -0.975 1.00 2.50 C ATOM 1619 C GLY A 103 -4.813 16.099 -0.264 1.00 61.53 C ATOM 1620 O GLY A 103 -3.745 16.696 -0.086 1.00 50.30 O ATOM 0 H GLY A 103 -6.033 13.263 -0.109 1.00 64.43 H new ATOM 0 HA2 GLY A 103 -3.886 14.595 -1.483 1.00 2.50 H new ATOM 0 HA3 GLY A 103 -5.611 14.765 -1.744 1.00 2.50 H new ATOM 1624 N SER A 104 -6.005 16.563 0.154 1.00 2.40 N ATOM 1625 CA SER A 104 -6.173 17.849 0.860 1.00 43.04 C ATOM 1626 C SER A 104 -7.498 17.878 1.664 1.00 54.31 C ATOM 1627 O SER A 104 -7.738 18.820 2.427 1.00 0.24 O ATOM 1628 CB SER A 104 -6.122 19.023 -0.166 1.00 62.12 C ATOM 1629 OG SER A 104 -6.165 20.302 0.463 1.00 54.52 O ATOM 0 H SER A 104 -6.880 16.058 0.012 1.00 2.40 H new ATOM 0 HA SER A 104 -5.356 17.964 1.572 1.00 43.04 H new ATOM 0 HB2 SER A 104 -5.210 18.944 -0.758 1.00 62.12 H new ATOM 0 HB3 SER A 104 -6.960 18.934 -0.857 1.00 62.12 H new ATOM 0 HG SER A 104 -6.773 20.269 1.231 1.00 54.52 H new ATOM 1635 N LEU A 105 -8.342 16.836 1.513 1.00 5.14 N ATOM 1636 CA LEU A 105 -9.690 16.805 2.110 1.00 52.15 C ATOM 1637 C LEU A 105 -9.641 16.205 3.526 1.00 62.11 C ATOM 1638 O LEU A 105 -10.047 15.062 3.762 1.00 32.32 O ATOM 1639 CB LEU A 105 -10.669 16.038 1.174 1.00 52.43 C ATOM 1640 CG LEU A 105 -10.748 16.581 -0.289 1.00 52.32 C ATOM 1641 CD1 LEU A 105 -11.680 15.726 -1.168 1.00 34.14 C ATOM 1642 CD2 LEU A 105 -11.158 18.069 -0.314 1.00 42.43 C ATOM 0 H LEU A 105 -8.109 15.999 0.978 1.00 5.14 H new ATOM 0 HA LEU A 105 -10.065 17.824 2.212 1.00 52.15 H new ATOM 0 HB2 LEU A 105 -10.370 14.990 1.141 1.00 52.43 H new ATOM 0 HB3 LEU A 105 -11.667 16.071 1.612 1.00 52.43 H new ATOM 0 HG LEU A 105 -9.748 16.506 -0.715 1.00 52.32 H new ATOM 0 HD11 LEU A 105 -11.707 16.137 -2.177 1.00 34.14 H new ATOM 0 HD12 LEU A 105 -11.308 14.702 -1.203 1.00 34.14 H new ATOM 0 HD13 LEU A 105 -12.685 15.733 -0.746 1.00 34.14 H new ATOM 0 HD21 LEU A 105 -11.204 18.416 -1.346 1.00 42.43 H new ATOM 0 HD22 LEU A 105 -12.137 18.185 0.152 1.00 42.43 H new ATOM 0 HD23 LEU A 105 -10.423 18.658 0.235 1.00 42.43 H new ATOM 1654 N GLU A 106 -9.094 16.999 4.457 1.00 72.22 N ATOM 1655 CA GLU A 106 -9.010 16.647 5.885 1.00 72.31 C ATOM 1656 C GLU A 106 -10.371 16.892 6.574 1.00 44.50 C ATOM 1657 O GLU A 106 -11.293 17.445 5.965 1.00 14.02 O ATOM 1658 CB GLU A 106 -7.916 17.508 6.571 1.00 61.11 C ATOM 1659 CG GLU A 106 -8.241 19.024 6.614 1.00 22.03 C ATOM 1660 CD GLU A 106 -7.192 19.875 7.340 1.00 24.33 C ATOM 1661 OE1 GLU A 106 -6.831 19.528 8.486 1.00 45.21 O ATOM 1662 OE2 GLU A 106 -6.741 20.905 6.783 1.00 30.01 O ATOM 0 H GLU A 106 -8.693 17.912 4.240 1.00 72.22 H new ATOM 0 HA GLU A 106 -8.752 15.592 5.975 1.00 72.31 H new ATOM 0 HB2 GLU A 106 -7.771 17.149 7.590 1.00 61.11 H new ATOM 0 HB3 GLU A 106 -6.972 17.364 6.045 1.00 61.11 H new ATOM 0 HG2 GLU A 106 -8.345 19.390 5.593 1.00 22.03 H new ATOM 0 HG3 GLU A 106 -9.206 19.163 7.102 1.00 22.03 H new ATOM 1669 N HIS A 107 -10.481 16.503 7.851 1.00 24.13 N ATOM 1670 CA HIS A 107 -11.656 16.816 8.683 1.00 30.11 C ATOM 1671 C HIS A 107 -11.335 18.055 9.533 1.00 55.44 C ATOM 1672 O HIS A 107 -10.473 17.986 10.410 1.00 0.35 O ATOM 1673 CB HIS A 107 -12.020 15.609 9.579 1.00 15.32 C ATOM 1674 CG HIS A 107 -12.269 14.333 8.813 1.00 10.13 C ATOM 1675 ND1 HIS A 107 -11.377 13.280 8.791 1.00 22.22 N ATOM 1676 CD2 HIS A 107 -13.316 13.941 8.044 1.00 62.03 C ATOM 1677 CE1 HIS A 107 -11.862 12.304 8.054 1.00 40.34 C ATOM 1678 NE2 HIS A 107 -13.034 12.678 7.589 1.00 64.44 N ATOM 0 H HIS A 107 -9.763 15.965 8.337 1.00 24.13 H new ATOM 0 HA HIS A 107 -12.518 17.024 8.049 1.00 30.11 H new ATOM 0 HB2 HIS A 107 -11.213 15.442 10.292 1.00 15.32 H new ATOM 0 HB3 HIS A 107 -12.911 15.854 10.158 1.00 15.32 H new ATOM 0 HD2 HIS A 107 -14.205 14.516 7.830 1.00 62.03 H new ATOM 0 HE1 HIS A 107 -11.380 11.357 7.863 1.00 40.34 H new ATOM 0 HE2 HIS A 107 -13.637 12.118 6.986 1.00 64.44 H new ATOM 1687 N HIS A 108 -12.004 19.188 9.246 1.00 2.40 N ATOM 1688 CA HIS A 108 -11.749 20.470 9.940 1.00 72.24 C ATOM 1689 C HIS A 108 -12.421 20.471 11.326 1.00 41.23 C ATOM 1690 O HIS A 108 -13.639 20.305 11.425 1.00 42.10 O ATOM 1691 CB HIS A 108 -12.261 21.677 9.102 1.00 21.43 C ATOM 1692 CG HIS A 108 -11.982 23.024 9.743 1.00 12.12 C ATOM 1693 ND1 HIS A 108 -12.897 23.684 10.543 1.00 11.11 N ATOM 1694 CD2 HIS A 108 -10.877 23.815 9.723 1.00 62.45 C ATOM 1695 CE1 HIS A 108 -12.370 24.808 10.984 1.00 62.12 C ATOM 1696 NE2 HIS A 108 -11.150 24.911 10.503 1.00 71.13 N ATOM 0 H HIS A 108 -12.731 19.243 8.533 1.00 2.40 H new ATOM 0 HA HIS A 108 -10.671 20.573 10.064 1.00 72.24 H new ATOM 0 HB2 HIS A 108 -11.794 21.649 8.117 1.00 21.43 H new ATOM 0 HB3 HIS A 108 -13.335 21.573 8.949 1.00 21.43 H new ATOM 0 HD2 HIS A 108 -9.957 23.618 9.193 1.00 62.45 H new ATOM 0 HE1 HIS A 108 -12.857 25.523 11.630 1.00 62.12 H new ATOM 0 HE2 HIS A 108 -10.508 25.683 10.681 1.00 71.13 H new ATOM 1705 N HIS A 109 -11.615 20.664 12.376 1.00 62.41 N ATOM 1706 CA HIS A 109 -12.085 20.749 13.772 1.00 1.22 C ATOM 1707 C HIS A 109 -12.379 22.215 14.147 1.00 21.34 C ATOM 1708 O HIS A 109 -11.634 23.121 13.756 1.00 60.40 O ATOM 1709 CB HIS A 109 -11.022 20.150 14.737 1.00 21.31 C ATOM 1710 CG HIS A 109 -10.843 18.651 14.630 1.00 43.01 C ATOM 1711 ND1 HIS A 109 -10.791 17.826 13.555 1.00 21.34 N flip ATOM 1712 CD2 HIS A 109 -10.672 17.830 15.728 1.00 65.23 C flip ATOM 1713 CE1 HIS A 109 -10.590 16.554 14.020 1.00 5.32 C flip ATOM 1714 NE2 HIS A 109 -10.523 16.586 15.331 1.00 33.10 N flip ATOM 0 H HIS A 109 -10.604 20.767 12.284 1.00 62.41 H new ATOM 0 HA HIS A 109 -13.005 20.172 13.866 1.00 1.22 H new ATOM 0 HB2 HIS A 109 -10.063 20.631 14.543 1.00 21.31 H new ATOM 0 HB3 HIS A 109 -11.301 20.397 15.761 1.00 21.31 H new ATOM 0 HD1 HIS A 109 -10.885 18.103 12.578 1.00 21.34 H new ATOM 0 HD2 HIS A 109 -10.662 18.160 16.756 1.00 65.23 H new ATOM 0 HE1 HIS A 109 -10.501 15.668 13.408 1.00 5.32 H new ATOM 1723 N HIS A 110 -13.473 22.423 14.901 1.00 61.23 N ATOM 1724 CA HIS A 110 -13.862 23.745 15.450 1.00 61.15 C ATOM 1725 C HIS A 110 -14.553 23.533 16.819 1.00 4.03 C ATOM 1726 O HIS A 110 -15.477 24.256 17.214 1.00 34.02 O ATOM 1727 CB HIS A 110 -14.756 24.524 14.425 1.00 32.12 C ATOM 1728 CG HIS A 110 -15.016 25.982 14.763 1.00 53.33 C ATOM 1729 ND1 HIS A 110 -14.082 26.985 14.584 1.00 21.23 N ATOM 1730 CD2 HIS A 110 -16.116 26.600 15.272 1.00 25.31 C ATOM 1731 CE1 HIS A 110 -14.601 28.137 14.972 1.00 22.33 C ATOM 1732 NE2 HIS A 110 -15.825 27.932 15.390 1.00 40.20 N ATOM 0 H HIS A 110 -14.121 21.676 15.151 1.00 61.23 H new ATOM 0 HA HIS A 110 -12.981 24.365 15.613 1.00 61.15 H new ATOM 0 HB2 HIS A 110 -14.282 24.475 13.445 1.00 32.12 H new ATOM 0 HB3 HIS A 110 -15.714 24.012 14.342 1.00 32.12 H new ATOM 0 HD2 HIS A 110 -17.050 26.125 15.535 1.00 25.31 H new ATOM 0 HE1 HIS A 110 -14.097 29.092 14.948 1.00 22.33 H new ATOM 0 HE2 HIS A 110 -16.458 28.648 15.746 1.00 40.20 H new ATOM 1741 N HIS A 111 -14.042 22.535 17.563 1.00 35.25 N ATOM 1742 CA HIS A 111 -14.517 22.176 18.912 1.00 15.00 C ATOM 1743 C HIS A 111 -13.310 21.866 19.811 1.00 23.15 C ATOM 1744 O HIS A 111 -12.675 20.811 19.674 1.00 10.11 O ATOM 1745 CB HIS A 111 -15.504 20.974 18.868 1.00 40.40 C ATOM 1746 CG HIS A 111 -16.856 21.309 18.299 1.00 42.35 C ATOM 1747 ND1 HIS A 111 -17.320 20.823 17.097 1.00 54.25 N ATOM 1748 CD2 HIS A 111 -17.837 22.106 18.777 1.00 50.45 C ATOM 1749 CE1 HIS A 111 -18.522 21.301 16.868 1.00 24.13 C ATOM 1750 NE2 HIS A 111 -18.856 22.079 17.868 1.00 43.25 N ATOM 0 H HIS A 111 -13.275 21.946 17.239 1.00 35.25 H new ATOM 0 HA HIS A 111 -15.065 23.022 19.327 1.00 15.00 H new ATOM 0 HB2 HIS A 111 -15.060 20.175 18.275 1.00 40.40 H new ATOM 0 HB3 HIS A 111 -15.633 20.587 19.879 1.00 40.40 H new ATOM 0 HD2 HIS A 111 -17.819 22.660 19.704 1.00 50.45 H new ATOM 0 HE1 HIS A 111 -19.132 21.089 16.002 1.00 24.13 H new ATOM 0 HE2 HIS A 111 -19.738 22.585 17.954 1.00 43.25 H new ATOM 1759 N HIS A 112 -12.990 22.812 20.704 1.00 24.55 N ATOM 1760 CA HIS A 112 -11.888 22.694 21.666 1.00 4.22 C ATOM 1761 C HIS A 112 -12.359 23.274 23.019 1.00 62.50 C ATOM 1762 O HIS A 112 -12.314 24.508 23.200 1.00 23.42 O ATOM 1763 CB HIS A 112 -10.617 23.426 21.141 1.00 41.13 C ATOM 1764 CG HIS A 112 -9.394 23.228 22.005 1.00 74.02 C ATOM 1765 ND1 HIS A 112 -8.919 24.192 22.869 1.00 12.13 N ATOM 1766 CD2 HIS A 112 -8.554 22.170 22.136 1.00 75.35 C ATOM 1767 CE1 HIS A 112 -7.846 23.739 23.490 1.00 21.24 C ATOM 1768 NE2 HIS A 112 -7.606 22.517 23.065 1.00 64.54 N ATOM 1769 OXT HIS A 112 -12.810 22.494 23.882 1.00 38.36 O ATOM 0 H HIS A 112 -13.498 23.694 20.779 1.00 24.55 H new ATOM 0 HA HIS A 112 -11.617 21.647 21.799 1.00 4.22 H new ATOM 0 HB2 HIS A 112 -10.398 23.074 20.133 1.00 41.13 H new ATOM 0 HB3 HIS A 112 -10.829 24.493 21.068 1.00 41.13 H new ATOM 0 HD2 HIS A 112 -8.620 21.230 21.608 1.00 75.35 H new ATOM 0 HE1 HIS A 112 -7.264 24.279 24.222 1.00 21.24 H new ATOM 0 HE2 HIS A 112 -6.838 21.923 23.377 1.00 64.54 H new TER 1778 HIS A 112