USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 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 NoAdj-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 102 ASN : amide:sc= 1.53 K(o=2.8,f=-2.6!) USER MOD Set 1.2: A 107 THR OG1 : rot -87:sc= 1.23 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -2.26 K(o=-1.5,f=-7.9!) USER MOD Set 2.2: A 99 SER OG : rot 134:sc= 0.732 USER MOD Set 3.1: A 77 SER OG : rot 77:sc= 2.1 USER MOD Set 3.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 73 THR OG1 : rot 62:sc= 0.838! USER MOD Set 4.2: A 76 LYS NZ :NH3+ -163:sc= 0.732 (180deg=-0.689) USER MOD Set 5.1: A 62 CYS SG : rot -50:sc= -0.662 USER MOD Set 5.2: A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 31 LYS NZ :NH3+ 142:sc= 0.666 (180deg=-0.0797) USER MOD Set 6.2: A 79 TYR OH : rot 100:sc= 0.533 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= -1.94! (180deg=-5.23!) USER MOD Single : A 3 ASN : amide:sc= 0.311 K(o=0.31,f=-6.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 0.945 (180deg=0.557) USER MOD Single : A 32 THR OG1 : rot 85:sc= 1.01 USER MOD Single : A 35 ASN : amide:sc=-0.00472 K(o=-0.0047,f=-1.6) USER MOD Single : A 40 SER OG : rot 140:sc= -0.28 USER MOD Single : A 41 THR OG1 : rot -67:sc= 1.16 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -131:sc= 1.77 USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 0.152! (180deg=-0.935!) USER MOD Single : A 51 SER OG : rot 81:sc= -0.954 USER MOD Single : A 52 CYS SG : rot -71:sc= 0.886 USER MOD Single : A 54 HIS : no HE2:sc= 0.17 K(o=0.17,f=-3.6!) USER MOD Single : A 61 MET CE :methyl 155:sc= -1.32 (180deg=-3.59!) USER MOD Single : A 63 GLN :FLIP amide:sc= -4.12! C(o=-4.7!,f=-4.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00402 X(o=-0.004,f=-0.12) USER MOD Single : A 71 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.95) USER MOD Single : A 82 LYS NZ :NH3+ -151:sc= 1.25 (180deg=-0.417) USER MOD Single : A 87 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.39) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.13) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -159:sc= -0.56 (180deg=-1.47) USER MOD Single : A 106 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.92) USER MOD Single : A 108 ASN :FLIP amide:sc= -3.8! C(o=-8.1!,f=-3.8!) USER MOD Single : A 111 GLN : amide:sc= -0.591 K(o=-0.59,f=-1.9) USER MOD Single : A 115 CYS SG : rot -24:sc= -0.22 USER MOD Single : A 116 THR OG1 : rot 75:sc= 0.7 USER MOD Single : A 118 LYS NZ :NH3+ 160:sc= 0.14 (180deg=-0.99!) USER MOD Single : A 119 THR OG1 : rot -83:sc= 0.516 USER MOD Single : A 125 LYS NZ :NH3+ -138:sc= 0.914 (180deg=-0.614) USER MOD Single : A 126 HIS : no HE2:sc= -3.73 K(o=-3.7,f=-8.3!) USER MOD Single : A 131 LYS NZ :NH3+ 165:sc= 1.27 (180deg=0.687) USER MOD Single : A 133 LYS NZ :NH3+ -161:sc= -0.157! (180deg=-1.3!) USER MOD Single : A 136 MET CE :methyl -154:sc= -0.16 (180deg=-0.93) USER MOD Single : A 137 ASN : amide:sc= -0.739 K(o=-0.74,f=-1.5) USER MOD Single : A 147 SER OG : rot 9:sc= 0.139 USER MOD Single : A 149 ASN : amide:sc= 0.738 K(o=0.74,f=-6.1!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.656 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 166:sc= 0.489 (180deg=0.24) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -0.0405 K(o=-0.04,f=-4.7!) USER MOD Single : B 205 BMT OG1 : rot -111:sc= -4.14! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.683 -16.522 -8.532 1.00 8.09 N ATOM 2 CA MET A 1 6.286 -17.883 -8.216 1.00 7.45 C ATOM 3 C MET A 1 4.970 -17.903 -7.437 1.00 6.29 C ATOM 4 O MET A 1 4.909 -17.432 -6.302 1.00 7.06 O ATOM 5 CB MET A 1 7.382 -18.555 -7.385 1.00 8.62 C ATOM 6 CG MET A 1 7.086 -20.043 -7.189 1.00 8.59 C ATOM 7 SD MET A 1 8.436 -20.825 -6.322 1.00 10.29 S ATOM 8 CE MET A 1 7.841 -22.506 -6.273 1.00 10.20 C ATOM 0 H1 MET A 1 6.845 -16.437 -9.556 1.00 8.09 H new ATOM 0 H2 MET A 1 5.930 -15.865 -8.245 1.00 8.09 H new ATOM 0 H3 MET A 1 7.559 -16.289 -8.022 1.00 8.09 H new ATOM 0 HA MET A 1 6.142 -18.426 -9.150 1.00 7.45 H new ATOM 0 HB2 MET A 1 8.345 -18.434 -7.881 1.00 8.62 H new ATOM 0 HB3 MET A 1 7.460 -18.065 -6.414 1.00 8.62 H new ATOM 0 HG2 MET A 1 6.161 -20.167 -6.626 1.00 8.59 H new ATOM 0 HG3 MET A 1 6.937 -20.523 -8.156 1.00 8.59 H new ATOM 0 HE1 MET A 1 8.569 -23.135 -5.761 1.00 10.20 H new ATOM 0 HE2 MET A 1 6.892 -22.541 -5.738 1.00 10.20 H new ATOM 0 HE3 MET A 1 7.698 -22.871 -7.290 1.00 10.20 H new ATOM 18 N VAL A 2 3.949 -18.454 -8.076 1.00 4.90 N ATOM 19 CA VAL A 2 2.642 -18.562 -7.449 1.00 3.96 C ATOM 20 C VAL A 2 2.197 -17.179 -6.970 1.00 3.42 C ATOM 21 O VAL A 2 2.986 -16.235 -6.965 1.00 4.43 O ATOM 22 CB VAL A 2 2.685 -19.598 -6.325 1.00 4.25 C ATOM 23 CG1 VAL A 2 3.208 -18.979 -5.027 1.00 5.39 C ATOM 24 CG2 VAL A 2 1.310 -20.235 -6.113 1.00 3.53 C ATOM 0 H VAL A 2 4.000 -18.831 -9.022 1.00 4.90 H new ATOM 0 HA VAL A 2 1.901 -18.912 -8.167 1.00 3.96 H new ATOM 0 HB VAL A 2 3.377 -20.386 -6.623 1.00 4.25 H new ATOM 0 HG11 VAL A 2 3.228 -19.738 -4.244 1.00 5.39 H new ATOM 0 HG12 VAL A 2 4.216 -18.596 -5.187 1.00 5.39 H new ATOM 0 HG13 VAL A 2 2.553 -18.162 -4.724 1.00 5.39 H new ATOM 0 HG21 VAL A 2 1.369 -20.968 -5.308 1.00 3.53 H new ATOM 0 HG22 VAL A 2 0.588 -19.462 -5.848 1.00 3.53 H new ATOM 0 HG23 VAL A 2 0.992 -20.729 -7.031 1.00 3.53 H new ATOM 34 N ASN A 3 0.933 -17.102 -6.579 1.00 2.14 N ATOM 35 CA ASN A 3 0.397 -15.875 -6.017 1.00 1.58 C ATOM 36 C ASN A 3 0.675 -15.844 -4.513 1.00 1.60 C ATOM 37 O ASN A 3 0.138 -16.656 -3.761 1.00 1.78 O ATOM 38 CB ASN A 3 -1.118 -15.790 -6.219 1.00 1.28 C ATOM 39 CG ASN A 3 -1.462 -15.551 -7.690 1.00 1.51 C ATOM 40 OD1 ASN A 3 -0.695 -14.982 -8.449 1.00 2.72 O ATOM 41 ND2 ASN A 3 -2.655 -16.017 -8.049 1.00 1.29 N ATOM 0 H ASN A 3 0.265 -17.870 -6.641 1.00 2.14 H new ATOM 0 HA ASN A 3 0.875 -15.036 -6.523 1.00 1.58 H new ATOM 0 HB2 ASN A 3 -1.586 -16.713 -5.878 1.00 1.28 H new ATOM 0 HB3 ASN A 3 -1.525 -14.982 -5.611 1.00 1.28 H new ATOM 0 HD21 ASN A 3 -2.977 -15.907 -9.011 1.00 1.29 H new ATOM 0 HD22 ASN A 3 -3.248 -16.484 -7.363 1.00 1.29 H new ATOM 48 N PRO A 4 1.537 -14.872 -4.107 1.00 1.68 N ATOM 49 CA PRO A 4 1.930 -14.755 -2.713 1.00 1.80 C ATOM 50 C PRO A 4 0.801 -14.153 -1.874 1.00 1.19 C ATOM 51 O PRO A 4 -0.031 -13.408 -2.389 1.00 1.02 O ATOM 52 CB PRO A 4 3.183 -13.894 -2.729 1.00 2.38 C ATOM 53 CG PRO A 4 3.181 -13.179 -4.071 1.00 2.47 C ATOM 54 CD PRO A 4 2.157 -13.863 -4.961 1.00 1.96 C ATOM 0 HA PRO A 4 2.132 -15.721 -2.250 1.00 1.80 H new ATOM 0 HB2 PRO A 4 3.176 -13.179 -1.906 1.00 2.38 H new ATOM 0 HB3 PRO A 4 4.078 -14.505 -2.613 1.00 2.38 H new ATOM 0 HG2 PRO A 4 2.932 -12.126 -3.942 1.00 2.47 H new ATOM 0 HG3 PRO A 4 4.170 -13.219 -4.527 1.00 2.47 H new ATOM 0 HD2 PRO A 4 1.419 -13.153 -5.334 1.00 1.96 H new ATOM 0 HD3 PRO A 4 2.630 -14.318 -5.831 1.00 1.96 H new ATOM 62 N THR A 5 0.809 -14.498 -0.594 1.00 1.14 N ATOM 63 CA THR A 5 -0.138 -13.920 0.343 1.00 0.76 C ATOM 64 C THR A 5 0.582 -13.453 1.610 1.00 0.70 C ATOM 65 O THR A 5 1.343 -14.210 2.210 1.00 0.84 O ATOM 66 CB THR A 5 -1.230 -14.956 0.611 1.00 0.81 C ATOM 67 OG1 THR A 5 -1.955 -15.023 -0.614 1.00 1.18 O ATOM 68 CG2 THR A 5 -2.263 -14.469 1.629 1.00 0.87 C ATOM 0 H THR A 5 1.457 -15.171 -0.185 1.00 1.14 H new ATOM 0 HA THR A 5 -0.610 -13.029 -0.071 1.00 0.76 H new ATOM 0 HB THR A 5 -0.773 -15.878 0.970 1.00 0.81 H new ATOM 0 HG1 THR A 5 -2.682 -15.674 -0.528 1.00 1.18 H new ATOM 0 HG21 THR A 5 -3.015 -15.243 1.782 1.00 0.87 H new ATOM 0 HG22 THR A 5 -1.767 -14.252 2.575 1.00 0.87 H new ATOM 0 HG23 THR A 5 -2.743 -13.565 1.256 1.00 0.87 H new ATOM 76 N VAL A 6 0.315 -12.209 1.980 1.00 0.68 N ATOM 77 CA VAL A 6 1.017 -11.592 3.092 1.00 0.73 C ATOM 78 C VAL A 6 0.008 -11.210 4.177 1.00 0.71 C ATOM 79 O VAL A 6 -1.199 -11.237 3.945 1.00 0.80 O ATOM 80 CB VAL A 6 1.841 -10.402 2.596 1.00 0.93 C ATOM 81 CG1 VAL A 6 2.859 -10.842 1.542 1.00 1.16 C ATOM 82 CG2 VAL A 6 0.934 -9.295 2.054 1.00 1.46 C ATOM 0 H VAL A 6 -0.378 -11.612 1.529 1.00 0.68 H new ATOM 0 HA VAL A 6 1.722 -12.295 3.536 1.00 0.73 H new ATOM 0 HB VAL A 6 2.392 -9.998 3.446 1.00 0.93 H new ATOM 0 HG11 VAL A 6 3.432 -9.978 1.206 1.00 1.16 H new ATOM 0 HG12 VAL A 6 3.535 -11.579 1.975 1.00 1.16 H new ATOM 0 HG13 VAL A 6 2.336 -11.283 0.693 1.00 1.16 H new ATOM 0 HG21 VAL A 6 1.545 -8.461 1.708 1.00 1.46 H new ATOM 0 HG22 VAL A 6 0.344 -9.682 1.223 1.00 1.46 H new ATOM 0 HG23 VAL A 6 0.266 -8.952 2.844 1.00 1.46 H new ATOM 92 N PHE A 7 0.541 -10.863 5.340 1.00 0.76 N ATOM 93 CA PHE A 7 -0.293 -10.415 6.441 1.00 0.82 C ATOM 94 C PHE A 7 0.420 -9.343 7.269 1.00 0.84 C ATOM 95 O PHE A 7 1.647 -9.335 7.352 1.00 0.96 O ATOM 96 CB PHE A 7 -0.560 -11.633 7.327 1.00 1.04 C ATOM 97 CG PHE A 7 0.618 -12.019 8.224 1.00 0.87 C ATOM 98 CD1 PHE A 7 1.602 -12.827 7.745 1.00 1.75 C ATOM 99 CD2 PHE A 7 0.681 -11.554 9.501 1.00 1.94 C ATOM 100 CE1 PHE A 7 2.695 -13.185 8.578 1.00 2.00 C ATOM 101 CE2 PHE A 7 1.773 -11.913 10.334 1.00 2.19 C ATOM 102 CZ PHE A 7 2.757 -12.720 9.855 1.00 1.66 C ATOM 0 H PHE A 7 1.540 -10.883 5.543 1.00 0.76 H new ATOM 0 HA PHE A 7 -1.216 -9.983 6.055 1.00 0.82 H new ATOM 0 HB2 PHE A 7 -1.429 -11.431 7.953 1.00 1.04 H new ATOM 0 HB3 PHE A 7 -0.814 -12.482 6.693 1.00 1.04 H new ATOM 0 HD1 PHE A 7 1.552 -13.196 6.731 1.00 1.75 H new ATOM 0 HD2 PHE A 7 -0.100 -10.912 9.881 1.00 1.94 H new ATOM 0 HE1 PHE A 7 3.477 -13.826 8.198 1.00 2.00 H new ATOM 0 HE2 PHE A 7 1.822 -11.545 11.348 1.00 2.19 H new ATOM 0 HZ PHE A 7 3.588 -12.992 10.489 1.00 1.66 H new ATOM 112 N PHE A 8 -0.379 -8.466 7.858 1.00 0.90 N ATOM 113 CA PHE A 8 0.159 -7.410 8.697 1.00 1.06 C ATOM 114 C PHE A 8 -0.748 -7.148 9.901 1.00 1.07 C ATOM 115 O PHE A 8 -1.970 -7.245 9.793 1.00 1.21 O ATOM 116 CB PHE A 8 0.223 -6.145 7.839 1.00 1.35 C ATOM 117 CG PHE A 8 1.023 -6.311 6.545 1.00 1.19 C ATOM 118 CD1 PHE A 8 2.371 -6.491 6.596 1.00 2.47 C ATOM 119 CD2 PHE A 8 0.386 -6.280 5.344 1.00 2.18 C ATOM 120 CE1 PHE A 8 3.111 -6.645 5.395 1.00 3.23 C ATOM 121 CE2 PHE A 8 1.128 -6.434 4.142 1.00 3.07 C ATOM 122 CZ PHE A 8 2.475 -6.614 4.193 1.00 3.20 C ATOM 0 H PHE A 8 -1.395 -8.465 7.771 1.00 0.90 H new ATOM 0 HA PHE A 8 1.141 -7.699 9.072 1.00 1.06 H new ATOM 0 HB2 PHE A 8 -0.792 -5.836 7.590 1.00 1.35 H new ATOM 0 HB3 PHE A 8 0.666 -5.341 8.427 1.00 1.35 H new ATOM 0 HD1 PHE A 8 2.877 -6.517 7.550 1.00 2.47 H new ATOM 0 HD2 PHE A 8 -0.684 -6.138 5.304 1.00 2.18 H new ATOM 0 HE1 PHE A 8 4.181 -6.787 5.435 1.00 3.23 H new ATOM 0 HE2 PHE A 8 0.622 -6.408 3.188 1.00 3.07 H new ATOM 0 HZ PHE A 8 3.039 -6.732 3.280 1.00 3.20 H new ATOM 132 N ASP A 9 -0.117 -6.823 11.019 1.00 1.03 N ATOM 133 CA ASP A 9 -0.854 -6.505 12.230 1.00 1.03 C ATOM 134 C ASP A 9 -0.717 -5.010 12.527 1.00 1.07 C ATOM 135 O ASP A 9 0.394 -4.497 12.649 1.00 1.31 O ATOM 136 CB ASP A 9 -0.304 -7.278 13.430 1.00 1.12 C ATOM 137 CG ASP A 9 1.135 -7.777 13.272 1.00 2.14 C ATOM 138 OD1 ASP A 9 1.972 -6.964 12.825 1.00 3.53 O ATOM 139 OD2 ASP A 9 1.363 -8.960 13.604 1.00 3.26 O ATOM 0 H ASP A 9 0.898 -6.773 11.112 1.00 1.03 H new ATOM 0 HA ASP A 9 -1.897 -6.781 12.072 1.00 1.03 H new ATOM 0 HB2 ASP A 9 -0.356 -6.638 14.311 1.00 1.12 H new ATOM 0 HB3 ASP A 9 -0.951 -8.134 13.619 1.00 1.12 H new ATOM 144 N ILE A 10 -1.863 -4.354 12.634 1.00 0.89 N ATOM 145 CA ILE A 10 -1.885 -2.914 12.832 1.00 0.86 C ATOM 146 C ILE A 10 -1.908 -2.610 14.331 1.00 0.87 C ATOM 147 O ILE A 10 -2.633 -3.255 15.088 1.00 0.98 O ATOM 148 CB ILE A 10 -3.046 -2.285 12.058 1.00 0.94 C ATOM 149 CG1 ILE A 10 -2.783 -2.321 10.551 1.00 0.97 C ATOM 150 CG2 ILE A 10 -3.332 -0.868 12.557 1.00 1.19 C ATOM 151 CD1 ILE A 10 -2.950 -3.738 10.000 1.00 1.74 C ATOM 0 H ILE A 10 -2.783 -4.792 12.587 1.00 0.89 H new ATOM 0 HA ILE A 10 -0.980 -2.460 12.429 1.00 0.86 H new ATOM 0 HB ILE A 10 -3.942 -2.878 12.242 1.00 0.94 H new ATOM 0 HG12 ILE A 10 -3.470 -1.645 10.042 1.00 0.97 H new ATOM 0 HG13 ILE A 10 -1.774 -1.963 10.346 1.00 0.97 H new ATOM 0 HG21 ILE A 10 -4.161 -0.443 11.991 1.00 1.19 H new ATOM 0 HG22 ILE A 10 -3.594 -0.901 13.615 1.00 1.19 H new ATOM 0 HG23 ILE A 10 -2.445 -0.249 12.422 1.00 1.19 H new ATOM 0 HD11 ILE A 10 -2.758 -3.736 8.927 1.00 1.74 H new ATOM 0 HD12 ILE A 10 -2.244 -4.406 10.494 1.00 1.74 H new ATOM 0 HD13 ILE A 10 -3.967 -4.083 10.186 1.00 1.74 H new ATOM 163 N ALA A 11 -1.107 -1.627 14.715 1.00 0.83 N ATOM 164 CA ALA A 11 -1.020 -1.236 16.111 1.00 0.88 C ATOM 165 C ALA A 11 -1.280 0.267 16.233 1.00 0.87 C ATOM 166 O ALA A 11 -0.576 1.074 15.628 1.00 0.84 O ATOM 167 CB ALA A 11 0.347 -1.637 16.670 1.00 0.90 C ATOM 0 H ALA A 11 -0.513 -1.090 14.084 1.00 0.83 H new ATOM 0 HA ALA A 11 -1.778 -1.751 16.701 1.00 0.88 H new ATOM 0 HB1 ALA A 11 0.412 -1.343 17.718 1.00 0.90 H new ATOM 0 HB2 ALA A 11 0.471 -2.717 16.587 1.00 0.90 H new ATOM 0 HB3 ALA A 11 1.133 -1.137 16.104 1.00 0.90 H new ATOM 173 N VAL A 12 -2.295 0.598 17.019 1.00 0.98 N ATOM 174 CA VAL A 12 -2.625 1.991 17.269 1.00 1.03 C ATOM 175 C VAL A 12 -2.152 2.379 18.672 1.00 1.10 C ATOM 176 O VAL A 12 -2.858 2.152 19.653 1.00 1.18 O ATOM 177 CB VAL A 12 -4.123 2.220 17.059 1.00 1.11 C ATOM 178 CG1 VAL A 12 -4.511 3.659 17.403 1.00 1.26 C ATOM 179 CG2 VAL A 12 -4.536 1.867 15.628 1.00 1.06 C ATOM 0 H VAL A 12 -2.899 -0.075 17.491 1.00 0.98 H new ATOM 0 HA VAL A 12 -2.108 2.639 16.561 1.00 1.03 H new ATOM 0 HB VAL A 12 -4.662 1.557 17.736 1.00 1.11 H new ATOM 0 HG11 VAL A 12 -5.581 3.795 17.245 1.00 1.26 H new ATOM 0 HG12 VAL A 12 -4.270 3.861 18.446 1.00 1.26 H new ATOM 0 HG13 VAL A 12 -3.959 4.348 16.763 1.00 1.26 H new ATOM 0 HG21 VAL A 12 -5.605 2.039 15.505 1.00 1.06 H new ATOM 0 HG22 VAL A 12 -3.985 2.492 14.926 1.00 1.06 H new ATOM 0 HG23 VAL A 12 -4.312 0.818 15.433 1.00 1.06 H new ATOM 189 N ASP A 13 -0.961 2.956 18.721 1.00 1.09 N ATOM 190 CA ASP A 13 -0.390 3.386 19.986 1.00 1.18 C ATOM 191 C ASP A 13 -0.443 2.228 20.985 1.00 1.23 C ATOM 192 O ASP A 13 -1.373 2.136 21.785 1.00 1.29 O ATOM 193 CB ASP A 13 -1.177 4.557 20.577 1.00 1.26 C ATOM 194 CG ASP A 13 -1.096 5.859 19.779 1.00 1.73 C ATOM 195 OD1 ASP A 13 -1.760 5.921 18.722 1.00 2.01 O ATOM 196 OD2 ASP A 13 -0.370 6.765 20.244 1.00 3.05 O ATOM 0 H ASP A 13 -0.376 3.136 17.905 1.00 1.09 H new ATOM 0 HA ASP A 13 0.638 3.699 19.802 1.00 1.18 H new ATOM 0 HB2 ASP A 13 -2.224 4.265 20.662 1.00 1.26 H new ATOM 0 HB3 ASP A 13 -0.815 4.745 21.588 1.00 1.26 H new ATOM 201 N GLY A 14 0.565 1.373 20.905 1.00 1.24 N ATOM 202 CA GLY A 14 0.712 0.298 21.872 1.00 1.34 C ATOM 203 C GLY A 14 -0.615 -0.432 22.087 1.00 1.34 C ATOM 204 O GLY A 14 -0.974 -0.753 23.219 1.00 1.45 O ATOM 0 H GLY A 14 1.288 1.402 20.186 1.00 1.24 H new ATOM 0 HA2 GLY A 14 1.467 -0.407 21.525 1.00 1.34 H new ATOM 0 HA3 GLY A 14 1.066 0.703 22.820 1.00 1.34 H new ATOM 208 N GLU A 15 -1.307 -0.672 20.984 1.00 1.25 N ATOM 209 CA GLU A 15 -2.557 -1.411 21.031 1.00 1.28 C ATOM 210 C GLU A 15 -2.818 -2.098 19.688 1.00 1.19 C ATOM 211 O GLU A 15 -2.841 -1.444 18.647 1.00 1.20 O ATOM 212 CB GLU A 15 -3.722 -0.496 21.415 1.00 1.33 C ATOM 213 CG GLU A 15 -4.948 -1.311 21.828 1.00 1.43 C ATOM 214 CD GLU A 15 -6.115 -0.396 22.202 1.00 2.10 C ATOM 215 OE1 GLU A 15 -6.717 0.169 21.264 1.00 2.96 O ATOM 216 OE2 GLU A 15 -6.379 -0.281 23.418 1.00 3.16 O ATOM 0 H GLU A 15 -1.026 -0.368 20.052 1.00 1.25 H new ATOM 0 HA GLU A 15 -2.474 -2.179 21.800 1.00 1.28 H new ATOM 0 HB2 GLU A 15 -3.422 0.156 22.235 1.00 1.33 H new ATOM 0 HB3 GLU A 15 -3.976 0.148 20.573 1.00 1.33 H new ATOM 0 HG2 GLU A 15 -5.244 -1.968 21.010 1.00 1.43 H new ATOM 0 HG3 GLU A 15 -4.696 -1.949 22.675 1.00 1.43 H new ATOM 223 N PRO A 16 -3.016 -3.442 19.760 1.00 1.17 N ATOM 224 CA PRO A 16 -3.295 -4.221 18.565 1.00 1.14 C ATOM 225 C PRO A 16 -4.732 -3.999 18.089 1.00 1.10 C ATOM 226 O PRO A 16 -5.682 -4.356 18.785 1.00 1.21 O ATOM 227 CB PRO A 16 -3.015 -5.662 18.961 1.00 1.27 C ATOM 228 CG PRO A 16 -3.040 -5.688 20.480 1.00 1.34 C ATOM 229 CD PRO A 16 -2.979 -4.252 20.973 1.00 1.25 C ATOM 0 HA PRO A 16 -2.676 -3.928 17.717 1.00 1.14 H new ATOM 0 HB2 PRO A 16 -3.766 -6.334 18.546 1.00 1.27 H new ATOM 0 HB3 PRO A 16 -2.048 -5.991 18.580 1.00 1.27 H new ATOM 0 HG2 PRO A 16 -3.946 -6.176 20.838 1.00 1.34 H new ATOM 0 HG3 PRO A 16 -2.196 -6.260 20.866 1.00 1.34 H new ATOM 0 HD2 PRO A 16 -3.819 -4.022 21.628 1.00 1.25 H new ATOM 0 HD3 PRO A 16 -2.069 -4.068 21.545 1.00 1.25 H new ATOM 237 N LEU A 17 -4.846 -3.412 16.907 1.00 1.05 N ATOM 238 CA LEU A 17 -6.151 -3.096 16.352 1.00 1.12 C ATOM 239 C LEU A 17 -6.753 -4.354 15.723 1.00 1.11 C ATOM 240 O LEU A 17 -7.946 -4.615 15.868 1.00 1.25 O ATOM 241 CB LEU A 17 -6.050 -1.914 15.386 1.00 1.25 C ATOM 242 CG LEU A 17 -7.375 -1.388 14.828 1.00 0.72 C ATOM 243 CD1 LEU A 17 -8.200 -0.710 15.922 1.00 1.42 C ATOM 244 CD2 LEU A 17 -7.137 -0.464 13.632 1.00 1.79 C ATOM 0 H LEU A 17 -4.056 -3.147 16.318 1.00 1.05 H new ATOM 0 HA LEU A 17 -6.832 -2.777 17.141 1.00 1.12 H new ATOM 0 HB2 LEU A 17 -5.543 -1.095 15.897 1.00 1.25 H new ATOM 0 HB3 LEU A 17 -5.417 -2.208 14.549 1.00 1.25 H new ATOM 0 HG LEU A 17 -7.956 -2.237 14.468 1.00 0.72 H new ATOM 0 HD11 LEU A 17 -9.136 -0.345 15.499 1.00 1.42 H new ATOM 0 HD12 LEU A 17 -8.415 -1.428 16.713 1.00 1.42 H new ATOM 0 HD13 LEU A 17 -7.638 0.128 16.335 1.00 1.42 H new ATOM 0 HD21 LEU A 17 -8.094 -0.104 13.254 1.00 1.79 H new ATOM 0 HD22 LEU A 17 -6.527 0.384 13.943 1.00 1.79 H new ATOM 0 HD23 LEU A 17 -6.620 -1.013 12.845 1.00 1.79 H new ATOM 256 N GLY A 18 -5.899 -5.102 15.040 1.00 1.03 N ATOM 257 CA GLY A 18 -6.332 -6.322 14.381 1.00 1.11 C ATOM 258 C GLY A 18 -5.292 -6.796 13.365 1.00 1.05 C ATOM 259 O GLY A 18 -4.156 -6.321 13.365 1.00 1.20 O ATOM 0 H GLY A 18 -4.908 -4.886 14.929 1.00 1.03 H new ATOM 0 HA2 GLY A 18 -6.500 -7.101 15.125 1.00 1.11 H new ATOM 0 HA3 GLY A 18 -7.284 -6.150 13.879 1.00 1.11 H new ATOM 263 N ARG A 19 -5.716 -7.725 12.521 1.00 1.11 N ATOM 264 CA ARG A 19 -4.821 -8.303 11.533 1.00 1.12 C ATOM 265 C ARG A 19 -5.490 -8.319 10.156 1.00 0.98 C ATOM 266 O ARG A 19 -6.692 -8.559 10.050 1.00 1.05 O ATOM 267 CB ARG A 19 -4.425 -9.730 11.916 1.00 1.40 C ATOM 268 CG ARG A 19 -3.161 -10.167 11.173 1.00 1.23 C ATOM 269 CD ARG A 19 -2.800 -11.614 11.509 1.00 1.92 C ATOM 270 NE ARG A 19 -3.801 -12.535 10.924 1.00 3.52 N ATOM 271 CZ ARG A 19 -4.599 -13.333 11.646 1.00 4.90 C ATOM 272 NH1 ARG A 19 -4.882 -13.025 12.919 1.00 5.22 N ATOM 273 NH2 ARG A 19 -5.114 -14.441 11.094 1.00 6.66 N ATOM 0 H ARG A 19 -6.668 -8.092 12.501 1.00 1.11 H new ATOM 0 HA ARG A 19 -3.923 -7.686 11.498 1.00 1.12 H new ATOM 0 HB2 ARG A 19 -4.257 -9.788 12.991 1.00 1.40 H new ATOM 0 HB3 ARG A 19 -5.242 -10.413 11.683 1.00 1.40 H new ATOM 0 HG2 ARG A 19 -3.314 -10.067 10.098 1.00 1.23 H new ATOM 0 HG3 ARG A 19 -2.333 -9.511 11.440 1.00 1.23 H new ATOM 0 HD2 ARG A 19 -1.808 -11.849 11.123 1.00 1.92 H new ATOM 0 HD3 ARG A 19 -2.761 -11.746 12.590 1.00 1.92 H new ATOM 0 HE ARG A 19 -3.888 -12.564 9.908 1.00 3.52 H new ATOM 0 HH11 ARG A 19 -4.490 -12.182 13.339 1.00 5.22 H new ATOM 0 HH12 ARG A 19 -5.490 -13.633 13.468 1.00 5.22 H new ATOM 0 HH21 ARG A 19 -4.898 -14.676 10.125 1.00 6.66 H new ATOM 0 HH22 ARG A 19 -5.722 -15.049 11.643 1.00 6.66 H new ATOM 287 N VAL A 20 -4.682 -8.062 9.138 1.00 0.97 N ATOM 288 CA VAL A 20 -5.187 -8.017 7.776 1.00 0.99 C ATOM 289 C VAL A 20 -4.308 -8.893 6.882 1.00 1.10 C ATOM 290 O VAL A 20 -3.124 -9.080 7.161 1.00 2.12 O ATOM 291 CB VAL A 20 -5.269 -6.566 7.296 1.00 1.02 C ATOM 292 CG1 VAL A 20 -5.987 -6.474 5.947 1.00 1.12 C ATOM 293 CG2 VAL A 20 -5.949 -5.680 8.341 1.00 1.14 C ATOM 0 H VAL A 20 -3.682 -7.883 9.229 1.00 0.97 H new ATOM 0 HA VAL A 20 -6.199 -8.418 7.730 1.00 0.99 H new ATOM 0 HB VAL A 20 -4.251 -6.201 7.159 1.00 1.02 H new ATOM 0 HG11 VAL A 20 -6.032 -5.432 5.629 1.00 1.12 H new ATOM 0 HG12 VAL A 20 -5.442 -7.057 5.204 1.00 1.12 H new ATOM 0 HG13 VAL A 20 -6.999 -6.867 6.046 1.00 1.12 H new ATOM 0 HG21 VAL A 20 -5.994 -4.654 7.975 1.00 1.14 H new ATOM 0 HG22 VAL A 20 -6.960 -6.044 8.525 1.00 1.14 H new ATOM 0 HG23 VAL A 20 -5.378 -5.709 9.269 1.00 1.14 H new ATOM 303 N SER A 21 -4.920 -9.408 5.826 1.00 0.91 N ATOM 304 CA SER A 21 -4.195 -10.218 4.862 1.00 0.74 C ATOM 305 C SER A 21 -4.522 -9.757 3.440 1.00 0.69 C ATOM 306 O SER A 21 -5.626 -9.284 3.176 1.00 0.76 O ATOM 307 CB SER A 21 -4.529 -11.702 5.027 1.00 0.81 C ATOM 308 OG SER A 21 -4.132 -12.198 6.302 1.00 1.97 O ATOM 0 H SER A 21 -5.910 -9.280 5.617 1.00 0.91 H new ATOM 0 HA SER A 21 -3.128 -10.091 5.043 1.00 0.74 H new ATOM 0 HB2 SER A 21 -5.601 -11.849 4.898 1.00 0.81 H new ATOM 0 HB3 SER A 21 -4.032 -12.275 4.244 1.00 0.81 H new ATOM 0 HG SER A 21 -4.363 -13.148 6.370 1.00 1.97 H new ATOM 314 N PHE A 22 -3.540 -9.909 2.563 1.00 0.63 N ATOM 315 CA PHE A 22 -3.704 -9.497 1.178 1.00 0.61 C ATOM 316 C PHE A 22 -3.115 -10.537 0.224 1.00 0.55 C ATOM 317 O PHE A 22 -2.118 -11.184 0.542 1.00 0.71 O ATOM 318 CB PHE A 22 -2.943 -8.181 1.011 1.00 0.74 C ATOM 319 CG PHE A 22 -3.455 -7.048 1.903 1.00 0.90 C ATOM 320 CD1 PHE A 22 -4.740 -6.618 1.786 1.00 2.09 C ATOM 321 CD2 PHE A 22 -2.626 -6.471 2.813 1.00 1.49 C ATOM 322 CE1 PHE A 22 -5.216 -5.567 2.614 1.00 2.35 C ATOM 323 CE2 PHE A 22 -3.102 -5.420 3.642 1.00 1.48 C ATOM 324 CZ PHE A 22 -4.386 -4.990 3.524 1.00 1.39 C ATOM 0 H PHE A 22 -2.629 -10.311 2.784 1.00 0.63 H new ATOM 0 HA PHE A 22 -4.763 -9.388 0.945 1.00 0.61 H new ATOM 0 HB2 PHE A 22 -1.889 -8.353 1.229 1.00 0.74 H new ATOM 0 HB3 PHE A 22 -3.006 -7.866 -0.031 1.00 0.74 H new ATOM 0 HD1 PHE A 22 -5.399 -7.076 1.063 1.00 2.09 H new ATOM 0 HD2 PHE A 22 -1.605 -6.812 2.906 1.00 1.49 H new ATOM 0 HE1 PHE A 22 -6.237 -5.226 2.521 1.00 2.35 H new ATOM 0 HE2 PHE A 22 -2.444 -4.963 4.366 1.00 1.48 H new ATOM 0 HZ PHE A 22 -4.747 -4.190 4.153 1.00 1.39 H new ATOM 334 N GLU A 23 -3.757 -10.667 -0.928 1.00 0.48 N ATOM 335 CA GLU A 23 -3.288 -11.591 -1.946 1.00 0.53 C ATOM 336 C GLU A 23 -2.868 -10.827 -3.204 1.00 0.71 C ATOM 337 O GLU A 23 -3.577 -9.930 -3.655 1.00 1.63 O ATOM 338 CB GLU A 23 -4.356 -12.637 -2.272 1.00 0.80 C ATOM 339 CG GLU A 23 -5.024 -13.154 -0.996 1.00 2.16 C ATOM 340 CD GLU A 23 -6.142 -14.145 -1.325 1.00 2.54 C ATOM 341 OE1 GLU A 23 -7.225 -13.667 -1.728 1.00 2.43 O ATOM 342 OE2 GLU A 23 -5.889 -15.358 -1.166 1.00 3.90 O ATOM 0 H GLU A 23 -4.598 -10.148 -1.179 1.00 0.48 H new ATOM 0 HA GLU A 23 -2.417 -12.118 -1.556 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -5.108 -12.201 -2.930 1.00 0.80 H new ATOM 0 HB3 GLU A 23 -3.903 -13.468 -2.812 1.00 0.80 H new ATOM 0 HG2 GLU A 23 -4.280 -13.637 -0.362 1.00 2.16 H new ATOM 0 HG3 GLU A 23 -5.431 -12.316 -0.429 1.00 2.16 H new ATOM 349 N LEU A 24 -1.715 -11.212 -3.734 1.00 0.65 N ATOM 350 CA LEU A 24 -1.179 -10.555 -4.914 1.00 0.76 C ATOM 351 C LEU A 24 -1.383 -11.459 -6.132 1.00 0.74 C ATOM 352 O LEU A 24 -1.439 -12.680 -6.001 1.00 1.00 O ATOM 353 CB LEU A 24 0.279 -10.151 -4.685 1.00 1.06 C ATOM 354 CG LEU A 24 0.529 -9.159 -3.547 1.00 1.12 C ATOM 355 CD1 LEU A 24 -0.540 -8.065 -3.527 1.00 2.71 C ATOM 356 CD2 LEU A 24 0.634 -9.882 -2.203 1.00 1.94 C ATOM 0 H LEU A 24 -1.138 -11.970 -3.368 1.00 0.65 H new ATOM 0 HA LEU A 24 -1.716 -9.627 -5.112 1.00 0.76 H new ATOM 0 HB2 LEU A 24 0.859 -11.053 -4.488 1.00 1.06 H new ATOM 0 HB3 LEU A 24 0.665 -9.719 -5.608 1.00 1.06 H new ATOM 0 HG LEU A 24 1.486 -8.670 -3.726 1.00 1.12 H new ATOM 0 HD11 LEU A 24 -0.338 -7.374 -2.709 1.00 2.71 H new ATOM 0 HD12 LEU A 24 -0.523 -7.523 -4.472 1.00 2.71 H new ATOM 0 HD13 LEU A 24 -1.521 -8.518 -3.386 1.00 2.71 H new ATOM 0 HD21 LEU A 24 0.812 -9.154 -1.411 1.00 1.94 H new ATOM 0 HD22 LEU A 24 -0.295 -10.416 -2.003 1.00 1.94 H new ATOM 0 HD23 LEU A 24 1.460 -10.592 -2.235 1.00 1.94 H new ATOM 368 N PHE A 25 -1.487 -10.822 -7.289 1.00 0.66 N ATOM 369 CA PHE A 25 -1.655 -11.554 -8.533 1.00 0.64 C ATOM 370 C PHE A 25 -0.348 -11.592 -9.328 1.00 0.67 C ATOM 371 O PHE A 25 -0.128 -10.759 -10.205 1.00 0.82 O ATOM 372 CB PHE A 25 -2.714 -10.812 -9.349 1.00 0.73 C ATOM 373 CG PHE A 25 -4.085 -10.744 -8.675 1.00 0.66 C ATOM 374 CD1 PHE A 25 -4.682 -11.882 -8.231 1.00 2.04 C ATOM 375 CD2 PHE A 25 -4.708 -9.545 -8.520 1.00 1.83 C ATOM 376 CE1 PHE A 25 -5.955 -11.819 -7.605 1.00 2.06 C ATOM 377 CE2 PHE A 25 -5.981 -9.481 -7.893 1.00 1.90 C ATOM 378 CZ PHE A 25 -6.578 -10.620 -7.449 1.00 0.90 C ATOM 0 H PHE A 25 -1.458 -9.808 -7.391 1.00 0.66 H new ATOM 0 HA PHE A 25 -1.950 -12.582 -8.323 1.00 0.64 H new ATOM 0 HB2 PHE A 25 -2.365 -9.798 -9.541 1.00 0.73 H new ATOM 0 HB3 PHE A 25 -2.821 -11.301 -10.317 1.00 0.73 H new ATOM 0 HD1 PHE A 25 -4.188 -12.834 -8.354 1.00 2.04 H new ATOM 0 HD2 PHE A 25 -4.235 -8.641 -8.874 1.00 1.83 H new ATOM 0 HE1 PHE A 25 -6.429 -12.723 -7.253 1.00 2.06 H new ATOM 0 HE2 PHE A 25 -6.475 -8.529 -7.769 1.00 1.90 H new ATOM 0 HZ PHE A 25 -7.546 -10.572 -6.973 1.00 0.90 H new ATOM 388 N ALA A 26 0.484 -12.566 -8.992 1.00 0.63 N ATOM 389 CA ALA A 26 1.766 -12.718 -9.658 1.00 0.70 C ATOM 390 C ALA A 26 1.541 -13.264 -11.070 1.00 0.81 C ATOM 391 O ALA A 26 2.368 -13.059 -11.958 1.00 1.06 O ATOM 392 CB ALA A 26 2.672 -13.623 -8.822 1.00 0.81 C ATOM 0 H ALA A 26 0.295 -13.258 -8.267 1.00 0.63 H new ATOM 0 HA ALA A 26 2.265 -11.754 -9.752 1.00 0.70 H new ATOM 0 HB1 ALA A 26 3.634 -13.737 -9.322 1.00 0.81 H new ATOM 0 HB2 ALA A 26 2.825 -13.177 -7.839 1.00 0.81 H new ATOM 0 HB3 ALA A 26 2.204 -14.601 -8.708 1.00 0.81 H new ATOM 398 N ASP A 27 0.418 -13.947 -11.234 1.00 0.80 N ATOM 399 CA ASP A 27 0.077 -14.531 -12.519 1.00 0.90 C ATOM 400 C ASP A 27 0.016 -13.426 -13.577 1.00 0.95 C ATOM 401 O ASP A 27 0.513 -13.598 -14.689 1.00 1.37 O ATOM 402 CB ASP A 27 -1.290 -15.214 -12.470 1.00 1.03 C ATOM 403 CG ASP A 27 -1.763 -15.812 -13.796 1.00 1.29 C ATOM 404 OD1 ASP A 27 -1.279 -16.917 -14.126 1.00 2.02 O ATOM 405 OD2 ASP A 27 -2.598 -15.151 -14.452 1.00 2.40 O ATOM 0 H ASP A 27 -0.268 -14.109 -10.497 1.00 0.80 H new ATOM 0 HA ASP A 27 0.840 -15.270 -12.765 1.00 0.90 H new ATOM 0 HB2 ASP A 27 -1.256 -16.007 -11.723 1.00 1.03 H new ATOM 0 HB3 ASP A 27 -2.030 -14.488 -12.132 1.00 1.03 H new ATOM 410 N LYS A 28 -0.599 -12.317 -13.192 1.00 1.00 N ATOM 411 CA LYS A 28 -0.825 -11.226 -14.124 1.00 1.12 C ATOM 412 C LYS A 28 0.316 -10.213 -14.005 1.00 1.02 C ATOM 413 O LYS A 28 0.769 -9.662 -15.007 1.00 1.09 O ATOM 414 CB LYS A 28 -2.213 -10.617 -13.909 1.00 1.28 C ATOM 415 CG LYS A 28 -3.312 -11.603 -14.310 1.00 1.37 C ATOM 416 CD LYS A 28 -4.213 -11.931 -13.118 1.00 2.07 C ATOM 417 CE LYS A 28 -5.344 -12.876 -13.531 1.00 2.41 C ATOM 418 NZ LYS A 28 -4.838 -14.259 -13.675 1.00 3.45 N ATOM 0 H LYS A 28 -0.947 -12.151 -12.248 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.818 -11.594 -15.150 1.00 1.12 H new ATOM 0 HB2 LYS A 28 -2.334 -10.338 -12.862 1.00 1.28 H new ATOM 0 HB3 LYS A 28 -2.308 -9.703 -14.495 1.00 1.28 H new ATOM 0 HG2 LYS A 28 -3.910 -11.179 -15.117 1.00 1.37 H new ATOM 0 HG3 LYS A 28 -2.862 -12.519 -14.694 1.00 1.37 H new ATOM 0 HD2 LYS A 28 -3.622 -12.390 -12.326 1.00 2.07 H new ATOM 0 HD3 LYS A 28 -4.633 -11.011 -12.711 1.00 2.07 H new ATOM 0 HE2 LYS A 28 -6.139 -12.849 -12.785 1.00 2.41 H new ATOM 0 HE3 LYS A 28 -5.779 -12.542 -14.473 1.00 2.41 H new ATOM 0 HZ1 LYS A 28 -5.520 -14.823 -14.221 1.00 3.45 H new ATOM 0 HZ2 LYS A 28 -3.925 -14.244 -14.172 1.00 3.45 H new ATOM 0 HZ3 LYS A 28 -4.713 -14.683 -12.733 1.00 3.45 H new ATOM 432 N VAL A 29 0.748 -10.000 -12.771 1.00 0.92 N ATOM 433 CA VAL A 29 1.773 -9.008 -12.498 1.00 0.91 C ATOM 434 C VAL A 29 2.866 -9.634 -11.628 1.00 0.85 C ATOM 435 O VAL A 29 2.832 -9.519 -10.405 1.00 0.83 O ATOM 436 CB VAL A 29 1.144 -7.766 -11.863 1.00 0.93 C ATOM 437 CG1 VAL A 29 1.740 -6.486 -12.454 1.00 1.45 C ATOM 438 CG2 VAL A 29 -0.378 -7.784 -12.018 1.00 1.51 C ATOM 0 H VAL A 29 0.407 -10.498 -11.949 1.00 0.92 H new ATOM 0 HA VAL A 29 2.243 -8.681 -13.426 1.00 0.91 H new ATOM 0 HB VAL A 29 1.373 -7.781 -10.798 1.00 0.93 H new ATOM 0 HG11 VAL A 29 1.276 -5.618 -11.985 1.00 1.45 H new ATOM 0 HG12 VAL A 29 2.814 -6.466 -12.270 1.00 1.45 H new ATOM 0 HG13 VAL A 29 1.555 -6.461 -13.528 1.00 1.45 H new ATOM 0 HG21 VAL A 29 -0.801 -6.891 -11.558 1.00 1.51 H new ATOM 0 HG22 VAL A 29 -0.636 -7.804 -13.077 1.00 1.51 H new ATOM 0 HG23 VAL A 29 -0.783 -8.670 -11.529 1.00 1.51 H new ATOM 448 N PRO A 30 3.834 -10.299 -12.313 1.00 0.98 N ATOM 449 CA PRO A 30 4.827 -11.100 -11.617 1.00 1.09 C ATOM 450 C PRO A 30 5.870 -10.211 -10.937 1.00 1.17 C ATOM 451 O PRO A 30 6.077 -10.305 -9.728 1.00 2.34 O ATOM 452 CB PRO A 30 5.422 -12.004 -12.685 1.00 1.37 C ATOM 453 CG PRO A 30 5.077 -11.358 -14.017 1.00 1.52 C ATOM 454 CD PRO A 30 4.010 -10.306 -13.762 1.00 1.30 C ATOM 0 HA PRO A 30 4.399 -11.691 -10.807 1.00 1.09 H new ATOM 0 HB2 PRO A 30 6.501 -12.095 -12.563 1.00 1.37 H new ATOM 0 HB3 PRO A 30 5.008 -13.010 -12.620 1.00 1.37 H new ATOM 0 HG2 PRO A 30 5.962 -10.904 -14.462 1.00 1.52 H new ATOM 0 HG3 PRO A 30 4.715 -12.106 -14.722 1.00 1.52 H new ATOM 0 HD2 PRO A 30 4.323 -9.328 -14.127 1.00 1.30 H new ATOM 0 HD3 PRO A 30 3.079 -10.554 -14.273 1.00 1.30 H new ATOM 462 N LYS A 31 6.500 -9.370 -11.743 1.00 1.00 N ATOM 463 CA LYS A 31 7.647 -8.608 -11.281 1.00 0.91 C ATOM 464 C LYS A 31 7.200 -7.631 -10.191 1.00 0.85 C ATOM 465 O LYS A 31 7.950 -7.354 -9.256 1.00 0.93 O ATOM 466 CB LYS A 31 8.353 -7.933 -12.460 1.00 1.00 C ATOM 467 CG LYS A 31 9.874 -8.007 -12.304 1.00 1.99 C ATOM 468 CD LYS A 31 10.575 -7.153 -13.361 1.00 2.25 C ATOM 469 CE LYS A 31 11.930 -7.753 -13.739 1.00 3.38 C ATOM 470 NZ LYS A 31 12.819 -7.813 -12.556 1.00 4.79 N ATOM 0 H LYS A 31 6.238 -9.199 -12.714 1.00 1.00 H new ATOM 0 HA LYS A 31 8.388 -9.270 -10.832 1.00 0.91 H new ATOM 0 HB2 LYS A 31 8.055 -8.415 -13.391 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.041 -6.891 -12.527 1.00 1.00 H new ATOM 0 HG2 LYS A 31 10.158 -7.666 -11.309 1.00 1.99 H new ATOM 0 HG3 LYS A 31 10.202 -9.043 -12.392 1.00 1.99 H new ATOM 0 HD2 LYS A 31 9.946 -7.077 -14.248 1.00 2.25 H new ATOM 0 HD3 LYS A 31 10.714 -6.141 -12.982 1.00 2.25 H new ATOM 0 HE2 LYS A 31 11.790 -8.754 -14.147 1.00 3.38 H new ATOM 0 HE3 LYS A 31 12.395 -7.152 -14.521 1.00 3.38 H new ATOM 0 HZ1 LYS A 31 13.376 -8.691 -12.585 1.00 4.79 H new ATOM 0 HZ2 LYS A 31 13.461 -6.995 -12.562 1.00 4.79 H new ATOM 0 HZ3 LYS A 31 12.245 -7.796 -11.689 1.00 4.79 H new ATOM 484 N THR A 32 5.982 -7.136 -10.349 1.00 0.79 N ATOM 485 CA THR A 32 5.444 -6.160 -9.416 1.00 0.76 C ATOM 486 C THR A 32 5.047 -6.841 -8.103 1.00 0.72 C ATOM 487 O THR A 32 5.101 -6.226 -7.040 1.00 0.83 O ATOM 488 CB THR A 32 4.283 -5.439 -10.102 1.00 0.80 C ATOM 489 OG1 THR A 32 4.846 -4.953 -11.317 1.00 0.95 O ATOM 490 CG2 THR A 32 3.858 -4.173 -9.356 1.00 0.80 C ATOM 0 H THR A 32 5.352 -7.392 -11.109 1.00 0.79 H new ATOM 0 HA THR A 32 6.193 -5.415 -9.147 1.00 0.76 H new ATOM 0 HB THR A 32 3.432 -6.116 -10.183 1.00 0.80 H new ATOM 0 HG1 THR A 32 4.816 -5.658 -11.997 1.00 0.95 H new ATOM 0 HG21 THR A 32 3.031 -3.699 -9.885 1.00 0.80 H new ATOM 0 HG22 THR A 32 3.541 -4.435 -8.346 1.00 0.80 H new ATOM 0 HG23 THR A 32 4.699 -3.481 -9.304 1.00 0.80 H new ATOM 498 N ALA A 33 4.657 -8.102 -8.223 1.00 0.68 N ATOM 499 CA ALA A 33 4.316 -8.893 -7.054 1.00 0.69 C ATOM 500 C ALA A 33 5.601 -9.349 -6.359 1.00 0.82 C ATOM 501 O ALA A 33 5.633 -9.495 -5.138 1.00 0.94 O ATOM 502 CB ALA A 33 3.432 -10.069 -7.473 1.00 0.74 C ATOM 0 H ALA A 33 4.570 -8.595 -9.112 1.00 0.68 H new ATOM 0 HA ALA A 33 3.748 -8.296 -6.340 1.00 0.69 H new ATOM 0 HB1 ALA A 33 3.176 -10.663 -6.595 1.00 0.74 H new ATOM 0 HB2 ALA A 33 2.519 -9.692 -7.935 1.00 0.74 H new ATOM 0 HB3 ALA A 33 3.970 -10.692 -8.188 1.00 0.74 H new ATOM 508 N GLU A 34 6.629 -9.560 -7.167 1.00 0.85 N ATOM 509 CA GLU A 34 7.902 -10.035 -6.651 1.00 1.03 C ATOM 510 C GLU A 34 8.554 -8.962 -5.777 1.00 1.06 C ATOM 511 O GLU A 34 8.947 -9.234 -4.643 1.00 1.09 O ATOM 512 CB GLU A 34 8.833 -10.457 -7.789 1.00 1.25 C ATOM 513 CG GLU A 34 10.031 -11.244 -7.255 1.00 1.52 C ATOM 514 CD GLU A 34 9.577 -12.540 -6.580 1.00 2.35 C ATOM 515 OE1 GLU A 34 9.166 -13.456 -7.326 1.00 3.75 O ATOM 516 OE2 GLU A 34 9.650 -12.586 -5.334 1.00 3.01 O ATOM 0 H GLU A 34 6.607 -9.411 -8.176 1.00 0.85 H new ATOM 0 HA GLU A 34 7.716 -10.914 -6.034 1.00 1.03 H new ATOM 0 HB2 GLU A 34 8.283 -11.067 -8.506 1.00 1.25 H new ATOM 0 HB3 GLU A 34 9.183 -9.574 -8.324 1.00 1.25 H new ATOM 0 HG2 GLU A 34 10.713 -11.475 -8.073 1.00 1.52 H new ATOM 0 HG3 GLU A 34 10.584 -10.633 -6.542 1.00 1.52 H new ATOM 523 N ASN A 35 8.650 -7.766 -6.337 1.00 1.15 N ATOM 524 CA ASN A 35 9.264 -6.655 -5.631 1.00 1.31 C ATOM 525 C ASN A 35 8.557 -6.455 -4.289 1.00 1.31 C ATOM 526 O ASN A 35 9.196 -6.134 -3.288 1.00 1.78 O ATOM 527 CB ASN A 35 9.138 -5.356 -6.429 1.00 1.46 C ATOM 528 CG ASN A 35 9.880 -5.459 -7.764 1.00 3.05 C ATOM 529 OD1 ASN A 35 10.709 -6.327 -7.978 1.00 4.43 O ATOM 530 ND2 ASN A 35 9.535 -4.526 -8.646 1.00 3.44 N ATOM 0 H ASN A 35 8.312 -7.542 -7.273 1.00 1.15 H new ATOM 0 HA ASN A 35 10.319 -6.890 -5.489 1.00 1.31 H new ATOM 0 HB2 ASN A 35 8.086 -5.136 -6.610 1.00 1.46 H new ATOM 0 HB3 ASN A 35 9.541 -4.527 -5.847 1.00 1.46 H new ATOM 0 HD21 ASN A 35 9.973 -4.508 -9.567 1.00 3.44 H new ATOM 0 HD22 ASN A 35 8.833 -3.828 -8.402 1.00 3.44 H new ATOM 537 N PHE A 36 7.248 -6.654 -4.311 1.00 1.18 N ATOM 538 CA PHE A 36 6.446 -6.505 -3.108 1.00 1.17 C ATOM 539 C PHE A 36 6.687 -7.667 -2.143 1.00 1.09 C ATOM 540 O PHE A 36 6.848 -7.458 -0.942 1.00 1.15 O ATOM 541 CB PHE A 36 4.980 -6.514 -3.543 1.00 1.21 C ATOM 542 CG PHE A 36 3.986 -6.462 -2.381 1.00 1.62 C ATOM 543 CD1 PHE A 36 3.646 -7.604 -1.726 1.00 2.99 C ATOM 544 CD2 PHE A 36 3.444 -5.273 -2.003 1.00 2.02 C ATOM 545 CE1 PHE A 36 2.724 -7.555 -0.647 1.00 3.81 C ATOM 546 CE2 PHE A 36 2.521 -5.225 -0.923 1.00 2.72 C ATOM 547 CZ PHE A 36 2.181 -6.367 -0.268 1.00 3.37 C ATOM 0 H PHE A 36 6.721 -6.918 -5.144 1.00 1.18 H new ATOM 0 HA PHE A 36 6.712 -5.580 -2.595 1.00 1.17 H new ATOM 0 HB2 PHE A 36 4.801 -5.662 -4.199 1.00 1.21 H new ATOM 0 HB3 PHE A 36 4.791 -7.413 -4.129 1.00 1.21 H new ATOM 0 HD1 PHE A 36 4.077 -8.548 -2.026 1.00 2.99 H new ATOM 0 HD2 PHE A 36 3.715 -4.366 -2.523 1.00 2.02 H new ATOM 0 HE1 PHE A 36 2.454 -8.462 -0.127 1.00 3.81 H new ATOM 0 HE2 PHE A 36 2.090 -4.281 -0.623 1.00 2.72 H new ATOM 0 HZ PHE A 36 1.480 -6.331 0.553 1.00 3.37 H new ATOM 557 N ARG A 37 6.703 -8.867 -2.705 1.00 1.02 N ATOM 558 CA ARG A 37 6.954 -10.061 -1.913 1.00 1.05 C ATOM 559 C ARG A 37 8.306 -9.953 -1.205 1.00 1.05 C ATOM 560 O ARG A 37 8.443 -10.365 -0.054 1.00 1.08 O ATOM 561 CB ARG A 37 6.943 -11.314 -2.790 1.00 1.14 C ATOM 562 CG ARG A 37 7.740 -12.446 -2.136 1.00 1.63 C ATOM 563 CD ARG A 37 7.282 -13.810 -2.658 1.00 2.05 C ATOM 564 NE ARG A 37 7.480 -13.885 -4.122 1.00 2.94 N ATOM 565 CZ ARG A 37 6.866 -14.769 -4.920 1.00 3.59 C ATOM 566 NH1 ARG A 37 6.146 -15.766 -4.386 1.00 3.68 N ATOM 567 NH2 ARG A 37 6.972 -14.657 -6.251 1.00 4.84 N ATOM 0 H ARG A 37 6.546 -9.039 -3.698 1.00 1.02 H new ATOM 0 HA ARG A 37 6.158 -10.143 -1.172 1.00 1.05 H new ATOM 0 HB2 ARG A 37 5.915 -11.637 -2.957 1.00 1.14 H new ATOM 0 HB3 ARG A 37 7.367 -11.083 -3.767 1.00 1.14 H new ATOM 0 HG2 ARG A 37 8.802 -12.313 -2.339 1.00 1.63 H new ATOM 0 HG3 ARG A 37 7.615 -12.406 -1.054 1.00 1.63 H new ATOM 0 HD2 ARG A 37 7.844 -14.604 -2.166 1.00 2.05 H new ATOM 0 HD3 ARG A 37 6.231 -13.966 -2.417 1.00 2.05 H new ATOM 0 HE ARG A 37 8.125 -13.222 -4.551 1.00 2.94 H new ATOM 0 HH11 ARG A 37 6.066 -15.851 -3.373 1.00 3.68 H new ATOM 0 HH12 ARG A 37 5.678 -16.439 -4.993 1.00 3.68 H new ATOM 0 HH21 ARG A 37 7.520 -13.899 -6.657 1.00 4.84 H new ATOM 0 HH22 ARG A 37 6.505 -15.330 -6.858 1.00 4.84 H new ATOM 581 N ALA A 38 9.271 -9.397 -1.922 1.00 1.08 N ATOM 582 CA ALA A 38 10.629 -9.313 -1.413 1.00 1.16 C ATOM 583 C ALA A 38 10.626 -8.554 -0.085 1.00 1.16 C ATOM 584 O ALA A 38 11.315 -8.940 0.858 1.00 1.32 O ATOM 585 CB ALA A 38 11.528 -8.653 -2.460 1.00 1.10 C ATOM 0 H ALA A 38 9.139 -9.000 -2.852 1.00 1.08 H new ATOM 0 HA ALA A 38 11.029 -10.309 -1.222 1.00 1.16 H new ATOM 0 HB1 ALA A 38 12.547 -8.590 -2.077 1.00 1.10 H new ATOM 0 HB2 ALA A 38 11.519 -9.247 -3.374 1.00 1.10 H new ATOM 0 HB3 ALA A 38 11.159 -7.650 -2.676 1.00 1.10 H new ATOM 591 N LEU A 39 9.841 -7.486 -0.052 1.00 1.05 N ATOM 592 CA LEU A 39 9.809 -6.616 1.110 1.00 1.13 C ATOM 593 C LEU A 39 9.556 -7.456 2.364 1.00 1.56 C ATOM 594 O LEU A 39 10.240 -7.292 3.374 1.00 2.15 O ATOM 595 CB LEU A 39 8.793 -5.490 0.909 1.00 1.12 C ATOM 596 CG LEU A 39 9.256 -4.314 0.047 1.00 0.97 C ATOM 597 CD1 LEU A 39 8.141 -3.280 -0.116 1.00 1.41 C ATOM 598 CD2 LEU A 39 10.536 -3.692 0.610 1.00 1.08 C ATOM 0 H LEU A 39 9.222 -7.204 -0.812 1.00 1.05 H new ATOM 0 HA LEU A 39 10.773 -6.124 1.244 1.00 1.13 H new ATOM 0 HB2 LEU A 39 7.895 -5.914 0.458 1.00 1.12 H new ATOM 0 HB3 LEU A 39 8.507 -5.106 1.888 1.00 1.12 H new ATOM 0 HG LEU A 39 9.492 -4.692 -0.948 1.00 0.97 H new ATOM 0 HD11 LEU A 39 8.497 -2.455 -0.733 1.00 1.41 H new ATOM 0 HD12 LEU A 39 7.280 -3.746 -0.595 1.00 1.41 H new ATOM 0 HD13 LEU A 39 7.850 -2.901 0.864 1.00 1.41 H new ATOM 0 HD21 LEU A 39 10.844 -2.858 -0.021 1.00 1.08 H new ATOM 0 HD22 LEU A 39 10.351 -3.332 1.622 1.00 1.08 H new ATOM 0 HD23 LEU A 39 11.326 -4.442 0.631 1.00 1.08 H new ATOM 610 N SER A 40 8.574 -8.337 2.258 1.00 1.36 N ATOM 611 CA SER A 40 8.120 -9.095 3.412 1.00 1.67 C ATOM 612 C SER A 40 9.271 -9.932 3.974 1.00 1.92 C ATOM 613 O SER A 40 9.286 -10.254 5.161 1.00 2.30 O ATOM 614 CB SER A 40 6.936 -9.993 3.051 1.00 1.72 C ATOM 615 OG SER A 40 6.379 -10.630 4.197 1.00 3.10 O ATOM 0 H SER A 40 8.079 -8.544 1.390 1.00 1.36 H new ATOM 0 HA SER A 40 7.786 -8.391 4.174 1.00 1.67 H new ATOM 0 HB2 SER A 40 6.167 -9.398 2.558 1.00 1.72 H new ATOM 0 HB3 SER A 40 7.260 -10.750 2.337 1.00 1.72 H new ATOM 0 HG SER A 40 5.402 -10.641 4.122 1.00 3.10 H new ATOM 621 N THR A 41 10.205 -10.261 3.094 1.00 1.88 N ATOM 622 CA THR A 41 11.366 -11.040 3.491 1.00 2.25 C ATOM 623 C THR A 41 12.648 -10.392 2.966 1.00 2.60 C ATOM 624 O THR A 41 13.536 -11.081 2.467 1.00 3.62 O ATOM 625 CB THR A 41 11.163 -12.474 2.998 1.00 2.19 C ATOM 626 OG1 THR A 41 12.381 -13.132 3.336 1.00 3.19 O ATOM 627 CG2 THR A 41 11.101 -12.566 1.471 1.00 2.18 C ATOM 0 H THR A 41 10.182 -10.003 2.108 1.00 1.88 H new ATOM 0 HA THR A 41 11.474 -11.066 4.575 1.00 2.25 H new ATOM 0 HB THR A 41 10.244 -12.877 3.423 1.00 2.19 H new ATOM 0 HG1 THR A 41 13.113 -12.760 2.801 1.00 3.19 H new ATOM 0 HG21 THR A 41 10.956 -13.605 1.175 1.00 2.18 H new ATOM 0 HG22 THR A 41 10.270 -11.964 1.104 1.00 2.18 H new ATOM 0 HG23 THR A 41 12.033 -12.194 1.046 1.00 2.18 H new ATOM 635 N GLY A 42 12.703 -9.074 3.095 1.00 2.00 N ATOM 636 CA GLY A 42 13.686 -8.291 2.365 1.00 2.49 C ATOM 637 C GLY A 42 14.978 -8.143 3.172 1.00 2.25 C ATOM 638 O GLY A 42 15.335 -7.039 3.580 1.00 2.68 O ATOM 0 H GLY A 42 12.083 -8.529 3.694 1.00 2.00 H new ATOM 0 HA2 GLY A 42 13.902 -8.771 1.410 1.00 2.49 H new ATOM 0 HA3 GLY A 42 13.278 -7.305 2.141 1.00 2.49 H new ATOM 642 N GLU A 43 15.642 -9.271 3.378 1.00 2.57 N ATOM 643 CA GLU A 43 17.020 -9.255 3.838 1.00 3.20 C ATOM 644 C GLU A 43 17.938 -8.706 2.743 1.00 3.14 C ATOM 645 O GLU A 43 18.872 -9.382 2.315 1.00 3.89 O ATOM 646 CB GLU A 43 17.467 -10.649 4.280 1.00 4.19 C ATOM 647 CG GLU A 43 17.216 -11.681 3.179 1.00 4.54 C ATOM 648 CD GLU A 43 18.231 -12.822 3.253 1.00 5.85 C ATOM 649 OE1 GLU A 43 18.133 -13.607 4.221 1.00 6.31 O ATOM 650 OE2 GLU A 43 19.085 -12.883 2.342 1.00 6.96 O ATOM 0 H GLU A 43 15.251 -10.202 3.235 1.00 2.57 H new ATOM 0 HA GLU A 43 17.086 -8.597 4.705 1.00 3.20 H new ATOM 0 HB2 GLU A 43 18.527 -10.632 4.532 1.00 4.19 H new ATOM 0 HB3 GLU A 43 16.929 -10.938 5.183 1.00 4.19 H new ATOM 0 HG2 GLU A 43 16.207 -12.081 3.275 1.00 4.54 H new ATOM 0 HG3 GLU A 43 17.277 -11.199 2.203 1.00 4.54 H new ATOM 657 N LYS A 44 17.640 -7.485 2.324 1.00 2.82 N ATOM 658 CA LYS A 44 18.134 -6.992 1.049 1.00 2.73 C ATOM 659 C LYS A 44 17.521 -5.618 0.768 1.00 2.89 C ATOM 660 O LYS A 44 18.185 -4.738 0.221 1.00 3.46 O ATOM 661 CB LYS A 44 17.879 -8.017 -0.058 1.00 2.84 C ATOM 662 CG LYS A 44 18.674 -7.672 -1.319 1.00 3.33 C ATOM 663 CD LYS A 44 18.011 -8.263 -2.564 1.00 2.94 C ATOM 664 CE LYS A 44 16.841 -7.392 -3.028 1.00 2.30 C ATOM 665 NZ LYS A 44 16.354 -7.839 -4.351 1.00 3.03 N ATOM 0 H LYS A 44 17.064 -6.823 2.844 1.00 2.82 H new ATOM 0 HA LYS A 44 19.215 -6.859 1.085 1.00 2.73 H new ATOM 0 HB2 LYS A 44 18.158 -9.011 0.291 1.00 2.84 H new ATOM 0 HB3 LYS A 44 16.815 -8.048 -0.292 1.00 2.84 H new ATOM 0 HG2 LYS A 44 18.748 -6.589 -1.421 1.00 3.33 H new ATOM 0 HG3 LYS A 44 19.691 -8.054 -1.228 1.00 3.33 H new ATOM 0 HD2 LYS A 44 18.745 -8.349 -3.365 1.00 2.94 H new ATOM 0 HD3 LYS A 44 17.656 -9.270 -2.348 1.00 2.94 H new ATOM 0 HE2 LYS A 44 16.031 -7.443 -2.300 1.00 2.30 H new ATOM 0 HE3 LYS A 44 17.155 -6.350 -3.083 1.00 2.30 H new ATOM 0 HZ1 LYS A 44 15.560 -7.237 -4.650 1.00 3.03 H new ATOM 0 HZ2 LYS A 44 17.124 -7.768 -5.047 1.00 3.03 H new ATOM 0 HZ3 LYS A 44 16.035 -8.827 -4.288 1.00 3.03 H new ATOM 679 N GLY A 45 16.261 -5.478 1.151 1.00 2.95 N ATOM 680 CA GLY A 45 15.548 -4.229 0.938 1.00 4.00 C ATOM 681 C GLY A 45 14.440 -4.046 1.978 1.00 3.62 C ATOM 682 O GLY A 45 13.360 -3.552 1.658 1.00 5.06 O ATOM 0 H GLY A 45 15.715 -6.208 1.608 1.00 2.95 H new ATOM 0 HA2 GLY A 45 16.246 -3.394 0.994 1.00 4.00 H new ATOM 0 HA3 GLY A 45 15.117 -4.218 -0.063 1.00 4.00 H new ATOM 686 N PHE A 46 14.746 -4.455 3.201 1.00 2.02 N ATOM 687 CA PHE A 46 13.846 -4.217 4.316 1.00 1.81 C ATOM 688 C PHE A 46 12.411 -4.607 3.956 1.00 1.59 C ATOM 689 O PHE A 46 12.166 -5.166 2.887 1.00 1.62 O ATOM 690 CB PHE A 46 13.894 -2.718 4.618 1.00 1.98 C ATOM 691 CG PHE A 46 13.631 -1.829 3.401 1.00 2.12 C ATOM 692 CD1 PHE A 46 12.356 -1.587 2.997 1.00 3.54 C ATOM 693 CD2 PHE A 46 14.674 -1.282 2.721 1.00 2.35 C ATOM 694 CE1 PHE A 46 12.113 -0.762 1.867 1.00 4.02 C ATOM 695 CE2 PHE A 46 14.432 -0.457 1.591 1.00 2.80 C ATOM 696 CZ PHE A 46 13.155 -0.215 1.187 1.00 3.21 C ATOM 0 H PHE A 46 15.604 -4.950 3.444 1.00 2.02 H new ATOM 0 HA PHE A 46 14.152 -4.815 5.174 1.00 1.81 H new ATOM 0 HB2 PHE A 46 13.157 -2.489 5.388 1.00 1.98 H new ATOM 0 HB3 PHE A 46 14.873 -2.472 5.030 1.00 1.98 H new ATOM 0 HD1 PHE A 46 11.527 -2.022 3.536 1.00 3.54 H new ATOM 0 HD2 PHE A 46 15.687 -1.475 3.041 1.00 2.35 H new ATOM 0 HE1 PHE A 46 11.099 -0.569 1.548 1.00 4.02 H new ATOM 0 HE2 PHE A 46 15.261 -0.022 1.052 1.00 2.80 H new ATOM 0 HZ PHE A 46 12.970 0.411 0.327 1.00 3.21 H new ATOM 706 N GLY A 47 11.500 -4.298 4.867 1.00 1.69 N ATOM 707 CA GLY A 47 10.111 -4.689 4.700 1.00 1.74 C ATOM 708 C GLY A 47 9.179 -3.736 5.450 1.00 1.66 C ATOM 709 O GLY A 47 9.608 -2.682 5.917 1.00 2.33 O ATOM 0 H GLY A 47 11.697 -3.781 5.724 1.00 1.69 H new ATOM 0 HA2 GLY A 47 9.856 -4.694 3.640 1.00 1.74 H new ATOM 0 HA3 GLY A 47 9.969 -5.706 5.067 1.00 1.74 H new ATOM 713 N TYR A 48 7.920 -4.140 5.542 1.00 1.74 N ATOM 714 CA TYR A 48 6.912 -3.309 6.179 1.00 1.78 C ATOM 715 C TYR A 48 6.993 -3.421 7.702 1.00 1.70 C ATOM 716 O TYR A 48 6.037 -3.846 8.349 1.00 2.57 O ATOM 717 CB TYR A 48 5.562 -3.853 5.709 1.00 2.22 C ATOM 718 CG TYR A 48 5.323 -3.717 4.205 1.00 3.11 C ATOM 719 CD1 TYR A 48 4.817 -2.540 3.690 1.00 3.93 C ATOM 720 CD2 TYR A 48 5.616 -4.769 3.362 1.00 4.14 C ATOM 721 CE1 TYR A 48 4.593 -2.412 2.273 1.00 5.03 C ATOM 722 CE2 TYR A 48 5.392 -4.641 1.945 1.00 5.25 C ATOM 723 CZ TYR A 48 4.892 -3.469 1.471 1.00 5.41 C ATOM 724 OH TYR A 48 4.680 -3.347 0.133 1.00 6.63 O ATOM 0 H TYR A 48 7.575 -5.032 5.186 1.00 1.74 H new ATOM 0 HA TYR A 48 7.055 -2.261 5.917 1.00 1.78 H new ATOM 0 HB2 TYR A 48 5.491 -4.905 5.983 1.00 2.22 H new ATOM 0 HB3 TYR A 48 4.767 -3.331 6.241 1.00 2.22 H new ATOM 0 HD1 TYR A 48 4.589 -1.716 4.350 1.00 3.93 H new ATOM 0 HD2 TYR A 48 6.013 -5.689 3.765 1.00 4.14 H new ATOM 0 HE1 TYR A 48 4.197 -1.498 1.857 1.00 5.03 H new ATOM 0 HE2 TYR A 48 5.616 -5.457 1.274 1.00 5.25 H new ATOM 0 HH TYR A 48 4.181 -4.125 -0.191 1.00 6.63 H new ATOM 734 N LYS A 49 8.142 -3.030 8.232 1.00 1.20 N ATOM 735 CA LYS A 49 8.370 -3.104 9.665 1.00 1.27 C ATOM 736 C LYS A 49 8.221 -1.708 10.275 1.00 1.81 C ATOM 737 O LYS A 49 9.153 -0.907 10.232 1.00 1.98 O ATOM 738 CB LYS A 49 9.719 -3.763 9.961 1.00 1.15 C ATOM 739 CG LYS A 49 9.921 -3.949 11.465 1.00 1.41 C ATOM 740 CD LYS A 49 8.901 -4.936 12.038 1.00 1.72 C ATOM 741 CE LYS A 49 9.437 -5.603 13.306 1.00 2.31 C ATOM 742 NZ LYS A 49 8.340 -6.268 14.045 1.00 2.72 N ATOM 0 H LYS A 49 8.926 -2.661 7.694 1.00 1.20 H new ATOM 0 HA LYS A 49 7.621 -3.740 10.136 1.00 1.27 H new ATOM 0 HB2 LYS A 49 9.772 -4.730 9.461 1.00 1.15 H new ATOM 0 HB3 LYS A 49 10.524 -3.150 9.556 1.00 1.15 H new ATOM 0 HG2 LYS A 49 10.931 -4.311 11.658 1.00 1.41 H new ATOM 0 HG3 LYS A 49 9.825 -2.988 11.970 1.00 1.41 H new ATOM 0 HD2 LYS A 49 7.971 -4.414 12.263 1.00 1.72 H new ATOM 0 HD3 LYS A 49 8.668 -5.697 11.293 1.00 1.72 H new ATOM 0 HE2 LYS A 49 10.202 -6.334 13.044 1.00 2.31 H new ATOM 0 HE3 LYS A 49 9.913 -4.857 13.943 1.00 2.31 H new ATOM 0 HZ1 LYS A 49 8.593 -6.339 15.051 1.00 2.72 H new ATOM 0 HZ2 LYS A 49 7.467 -5.711 13.946 1.00 2.72 H new ATOM 0 HZ3 LYS A 49 8.189 -7.221 13.658 1.00 2.72 H new ATOM 756 N GLY A 50 7.043 -1.462 10.827 1.00 2.53 N ATOM 757 CA GLY A 50 6.722 -0.143 11.346 1.00 3.19 C ATOM 758 C GLY A 50 5.792 0.610 10.392 1.00 3.15 C ATOM 759 O GLY A 50 4.722 1.067 10.793 1.00 4.47 O ATOM 0 H GLY A 50 6.299 -2.153 10.927 1.00 2.53 H new ATOM 0 HA2 GLY A 50 6.247 -0.238 12.323 1.00 3.19 H new ATOM 0 HA3 GLY A 50 7.639 0.428 11.491 1.00 3.19 H new ATOM 763 N SER A 51 6.233 0.715 9.147 1.00 2.39 N ATOM 764 CA SER A 51 5.471 1.437 8.142 1.00 3.12 C ATOM 765 C SER A 51 5.205 2.868 8.615 1.00 2.13 C ATOM 766 O SER A 51 5.890 3.801 8.198 1.00 3.13 O ATOM 767 CB SER A 51 4.151 0.726 7.835 1.00 4.71 C ATOM 768 OG SER A 51 4.318 -0.317 6.878 1.00 5.81 O ATOM 0 H SER A 51 7.108 0.312 8.811 1.00 2.39 H new ATOM 0 HA SER A 51 6.058 1.467 7.224 1.00 3.12 H new ATOM 0 HB2 SER A 51 3.740 0.311 8.755 1.00 4.71 H new ATOM 0 HB3 SER A 51 3.428 1.450 7.460 1.00 4.71 H new ATOM 0 HG SER A 51 4.662 -1.119 7.325 1.00 5.81 H new ATOM 774 N CYS A 52 4.210 2.996 9.480 1.00 1.89 N ATOM 775 CA CYS A 52 3.828 4.300 9.994 1.00 1.58 C ATOM 776 C CYS A 52 2.898 4.965 8.977 1.00 1.44 C ATOM 777 O CYS A 52 2.816 4.531 7.829 1.00 2.19 O ATOM 778 CB CYS A 52 5.051 5.167 10.300 1.00 2.50 C ATOM 779 SG CYS A 52 4.690 6.286 11.703 1.00 3.75 S ATOM 0 H CYS A 52 3.656 2.218 9.838 1.00 1.89 H new ATOM 0 HA CYS A 52 3.302 4.180 10.941 1.00 1.58 H new ATOM 0 HB2 CYS A 52 5.905 4.534 10.540 1.00 2.50 H new ATOM 0 HB3 CYS A 52 5.323 5.750 9.420 1.00 2.50 H new ATOM 0 HG CYS A 52 3.846 7.199 11.324 1.00 3.75 H new ATOM 785 N PHE A 53 2.219 6.006 9.437 1.00 1.69 N ATOM 786 CA PHE A 53 1.280 6.720 8.588 1.00 1.91 C ATOM 787 C PHE A 53 1.978 7.282 7.348 1.00 1.15 C ATOM 788 O PHE A 53 3.204 7.253 7.255 1.00 1.76 O ATOM 789 CB PHE A 53 0.723 7.881 9.416 1.00 3.15 C ATOM 790 CG PHE A 53 1.777 8.908 9.833 1.00 4.84 C ATOM 791 CD1 PHE A 53 2.172 9.872 8.958 1.00 6.14 C ATOM 792 CD2 PHE A 53 2.320 8.858 11.079 1.00 5.80 C ATOM 793 CE1 PHE A 53 3.149 10.826 9.345 1.00 8.02 C ATOM 794 CE2 PHE A 53 3.298 9.812 11.466 1.00 7.69 C ATOM 795 CZ PHE A 53 3.692 10.776 10.591 1.00 8.62 C ATOM 0 H PHE A 53 2.300 6.372 10.386 1.00 1.69 H new ATOM 0 HA PHE A 53 0.493 6.044 8.253 1.00 1.91 H new ATOM 0 HB2 PHE A 53 -0.053 8.385 8.840 1.00 3.15 H new ATOM 0 HB3 PHE A 53 0.247 7.480 10.311 1.00 3.15 H new ATOM 0 HD1 PHE A 53 1.742 9.911 7.968 1.00 6.14 H new ATOM 0 HD2 PHE A 53 2.007 8.093 11.774 1.00 5.80 H new ATOM 0 HE1 PHE A 53 3.461 11.592 8.650 1.00 8.02 H new ATOM 0 HE2 PHE A 53 3.729 9.772 12.455 1.00 7.69 H new ATOM 0 HZ PHE A 53 4.436 11.502 10.886 1.00 8.62 H new ATOM 805 N HIS A 54 1.167 7.778 6.425 1.00 1.26 N ATOM 806 CA HIS A 54 1.688 8.297 5.172 1.00 1.28 C ATOM 807 C HIS A 54 0.665 9.247 4.545 1.00 1.44 C ATOM 808 O HIS A 54 0.962 10.417 4.310 1.00 2.23 O ATOM 809 CB HIS A 54 2.087 7.154 4.236 1.00 2.05 C ATOM 810 CG HIS A 54 2.640 7.613 2.907 1.00 1.81 C ATOM 811 ND1 HIS A 54 2.824 6.757 1.836 1.00 1.91 N ATOM 812 CD2 HIS A 54 3.046 8.847 2.489 1.00 2.69 C ATOM 813 CE1 HIS A 54 3.319 7.455 0.824 1.00 2.28 C ATOM 814 NE2 HIS A 54 3.456 8.750 1.231 1.00 3.10 N ATOM 0 H HIS A 54 0.153 7.831 6.520 1.00 1.26 H new ATOM 0 HA HIS A 54 2.596 8.870 5.360 1.00 1.28 H new ATOM 0 HB2 HIS A 54 2.833 6.534 4.734 1.00 2.05 H new ATOM 0 HB3 HIS A 54 1.216 6.523 4.057 1.00 2.05 H new ATOM 0 HD1 HIS A 54 2.614 5.759 1.827 1.00 1.91 H new ATOM 0 HD2 HIS A 54 3.035 9.750 3.082 1.00 2.69 H new ATOM 0 HE1 HIS A 54 3.570 7.067 -0.152 1.00 2.28 H new ATOM 822 N ARG A 55 -0.519 8.707 4.293 1.00 1.13 N ATOM 823 CA ARG A 55 -1.590 9.495 3.707 1.00 1.54 C ATOM 824 C ARG A 55 -2.931 8.781 3.883 1.00 1.29 C ATOM 825 O ARG A 55 -3.488 8.253 2.922 1.00 1.69 O ATOM 826 CB ARG A 55 -1.342 9.740 2.217 1.00 2.13 C ATOM 827 CG ARG A 55 -2.385 10.698 1.638 1.00 1.96 C ATOM 828 CD ARG A 55 -1.752 11.650 0.623 1.00 2.00 C ATOM 829 NE ARG A 55 -0.973 12.694 1.325 1.00 1.74 N ATOM 830 CZ ARG A 55 -1.517 13.650 2.092 1.00 2.48 C ATOM 831 NH1 ARG A 55 -2.813 13.960 1.957 1.00 3.27 N ATOM 832 NH2 ARG A 55 -0.764 14.293 2.995 1.00 3.88 N ATOM 0 H ARG A 55 -0.760 7.734 4.484 1.00 1.13 H new ATOM 0 HA ARG A 55 -1.615 10.455 4.222 1.00 1.54 H new ATOM 0 HB2 ARG A 55 -0.344 10.154 2.074 1.00 2.13 H new ATOM 0 HB3 ARG A 55 -1.374 8.793 1.679 1.00 2.13 H new ATOM 0 HG2 ARG A 55 -3.181 10.128 1.160 1.00 1.96 H new ATOM 0 HG3 ARG A 55 -2.843 11.272 2.443 1.00 1.96 H new ATOM 0 HD2 ARG A 55 -1.103 11.094 -0.054 1.00 2.00 H new ATOM 0 HD3 ARG A 55 -2.528 12.112 0.013 1.00 2.00 H new ATOM 0 HE ARG A 55 0.041 12.686 1.219 1.00 1.74 H new ATOM 0 HH11 ARG A 55 -3.386 13.469 1.271 1.00 3.27 H new ATOM 0 HH12 ARG A 55 -3.227 14.687 2.540 1.00 3.27 H new ATOM 0 HH21 ARG A 55 0.222 14.055 3.099 1.00 3.88 H new ATOM 0 HH22 ARG A 55 -1.177 15.020 3.579 1.00 3.88 H new ATOM 846 N ILE A 56 -3.411 8.787 5.118 1.00 1.10 N ATOM 847 CA ILE A 56 -4.687 8.167 5.428 1.00 0.85 C ATOM 848 C ILE A 56 -5.806 9.197 5.254 1.00 0.86 C ATOM 849 O ILE A 56 -5.743 10.288 5.817 1.00 1.13 O ATOM 850 CB ILE A 56 -4.650 7.530 6.819 1.00 0.85 C ATOM 851 CG1 ILE A 56 -3.653 6.370 6.865 1.00 0.88 C ATOM 852 CG2 ILE A 56 -6.050 7.101 7.264 1.00 0.79 C ATOM 853 CD1 ILE A 56 -3.734 5.630 8.201 1.00 0.86 C ATOM 0 H ILE A 56 -2.938 9.212 5.916 1.00 1.10 H new ATOM 0 HA ILE A 56 -4.892 7.352 4.734 1.00 0.85 H new ATOM 0 HB ILE A 56 -4.303 8.281 7.529 1.00 0.85 H new ATOM 0 HG12 ILE A 56 -3.858 5.677 6.049 1.00 0.88 H new ATOM 0 HG13 ILE A 56 -2.642 6.749 6.716 1.00 0.88 H new ATOM 0 HG21 ILE A 56 -5.995 6.652 8.255 1.00 0.79 H new ATOM 0 HG22 ILE A 56 -6.704 7.972 7.296 1.00 0.79 H new ATOM 0 HG23 ILE A 56 -6.449 6.373 6.557 1.00 0.79 H new ATOM 0 HD11 ILE A 56 -3.015 4.811 8.207 1.00 0.86 H new ATOM 0 HD12 ILE A 56 -3.505 6.320 9.013 1.00 0.86 H new ATOM 0 HD13 ILE A 56 -4.740 5.232 8.336 1.00 0.86 H new ATOM 865 N ILE A 57 -6.804 8.812 4.471 1.00 0.68 N ATOM 866 CA ILE A 57 -7.958 9.667 4.256 1.00 0.70 C ATOM 867 C ILE A 57 -9.232 8.825 4.332 1.00 0.65 C ATOM 868 O ILE A 57 -9.381 7.850 3.597 1.00 0.63 O ATOM 869 CB ILE A 57 -7.812 10.445 2.947 1.00 0.74 C ATOM 870 CG1 ILE A 57 -6.525 11.271 2.940 1.00 1.03 C ATOM 871 CG2 ILE A 57 -9.047 11.307 2.680 1.00 0.85 C ATOM 872 CD1 ILE A 57 -6.436 12.138 1.682 1.00 0.91 C ATOM 0 H ILE A 57 -6.836 7.920 3.978 1.00 0.68 H new ATOM 0 HA ILE A 57 -8.026 10.420 5.041 1.00 0.70 H new ATOM 0 HB ILE A 57 -7.738 9.727 2.130 1.00 0.74 H new ATOM 0 HG12 ILE A 57 -6.491 11.905 3.826 1.00 1.03 H new ATOM 0 HG13 ILE A 57 -5.662 10.607 2.990 1.00 1.03 H new ATOM 0 HG21 ILE A 57 -8.917 11.849 1.743 1.00 0.85 H new ATOM 0 HG22 ILE A 57 -9.928 10.669 2.610 1.00 0.85 H new ATOM 0 HG23 ILE A 57 -9.178 12.018 3.496 1.00 0.85 H new ATOM 0 HD11 ILE A 57 -5.511 12.715 1.702 1.00 0.91 H new ATOM 0 HD12 ILE A 57 -6.446 11.500 0.799 1.00 0.91 H new ATOM 0 HD13 ILE A 57 -7.287 12.818 1.648 1.00 0.91 H new ATOM 884 N PRO A 58 -10.143 9.242 5.253 1.00 0.74 N ATOM 885 CA PRO A 58 -11.390 8.523 5.451 1.00 0.75 C ATOM 886 C PRO A 58 -12.369 8.795 4.308 1.00 0.78 C ATOM 887 O PRO A 58 -12.740 9.943 4.064 1.00 0.94 O ATOM 888 CB PRO A 58 -11.906 8.995 6.800 1.00 0.91 C ATOM 889 CG PRO A 58 -11.177 10.295 7.093 1.00 1.03 C ATOM 890 CD PRO A 58 -10.010 10.405 6.125 1.00 0.91 C ATOM 0 HA PRO A 58 -11.256 7.441 5.446 1.00 0.75 H new ATOM 0 HB2 PRO A 58 -12.985 9.150 6.773 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -11.709 8.254 7.575 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -11.850 11.144 6.977 1.00 1.03 H new ATOM 0 HG3 PRO A 58 -10.821 10.309 8.123 1.00 1.03 H new ATOM 0 HD2 PRO A 58 -10.053 11.334 5.556 1.00 0.91 H new ATOM 0 HD3 PRO A 58 -9.056 10.398 6.652 1.00 0.91 H new ATOM 898 N GLY A 59 -12.760 7.723 3.636 1.00 0.76 N ATOM 899 CA GLY A 59 -13.677 7.834 2.515 1.00 0.91 C ATOM 900 C GLY A 59 -12.917 7.991 1.198 1.00 0.80 C ATOM 901 O GLY A 59 -13.341 8.740 0.318 1.00 0.96 O ATOM 0 H GLY A 59 -12.458 6.772 3.847 1.00 0.76 H new ATOM 0 HA2 GLY A 59 -14.310 6.948 2.470 1.00 0.91 H new ATOM 0 HA3 GLY A 59 -14.336 8.690 2.663 1.00 0.91 H new ATOM 905 N PHE A 60 -11.807 7.275 1.102 1.00 0.60 N ATOM 906 CA PHE A 60 -11.028 7.261 -0.125 1.00 0.54 C ATOM 907 C PHE A 60 -10.120 6.031 -0.184 1.00 0.50 C ATOM 908 O PHE A 60 -10.297 5.164 -1.039 1.00 0.57 O ATOM 909 CB PHE A 60 -10.160 8.520 -0.117 1.00 0.59 C ATOM 910 CG PHE A 60 -9.267 8.669 -1.351 1.00 0.60 C ATOM 911 CD1 PHE A 60 -9.595 8.034 -2.508 1.00 1.82 C ATOM 912 CD2 PHE A 60 -8.145 9.434 -1.291 1.00 1.66 C ATOM 913 CE1 PHE A 60 -8.768 8.170 -3.653 1.00 1.92 C ATOM 914 CE2 PHE A 60 -7.316 9.572 -2.435 1.00 1.62 C ATOM 915 CZ PHE A 60 -7.645 8.936 -3.592 1.00 0.76 C ATOM 0 H PHE A 60 -11.428 6.700 1.854 1.00 0.60 H new ATOM 0 HA PHE A 60 -11.693 7.230 -0.988 1.00 0.54 H new ATOM 0 HB2 PHE A 60 -10.807 9.394 -0.042 1.00 0.59 H new ATOM 0 HB3 PHE A 60 -9.532 8.510 0.774 1.00 0.59 H new ATOM 0 HD1 PHE A 60 -10.486 7.425 -2.555 1.00 1.82 H new ATOM 0 HD2 PHE A 60 -7.884 9.937 -0.372 1.00 1.66 H new ATOM 0 HE1 PHE A 60 -9.030 7.666 -4.572 1.00 1.92 H new ATOM 0 HE2 PHE A 60 -6.425 10.181 -2.387 1.00 1.62 H new ATOM 0 HZ PHE A 60 -7.014 9.039 -4.463 1.00 0.76 H new ATOM 925 N MET A 61 -9.167 5.993 0.736 1.00 0.47 N ATOM 926 CA MET A 61 -8.178 4.930 0.745 1.00 0.56 C ATOM 927 C MET A 61 -7.485 4.837 2.107 1.00 0.68 C ATOM 928 O MET A 61 -7.605 5.741 2.931 1.00 0.68 O ATOM 929 CB MET A 61 -7.134 5.195 -0.342 1.00 0.63 C ATOM 930 CG MET A 61 -5.821 5.691 0.269 1.00 1.32 C ATOM 931 SD MET A 61 -6.091 7.232 1.128 1.00 1.39 S ATOM 932 CE MET A 61 -5.359 8.369 -0.038 1.00 1.43 C ATOM 0 H MET A 61 -9.059 6.682 1.480 1.00 0.47 H new ATOM 0 HA MET A 61 -8.686 3.985 0.551 1.00 0.56 H new ATOM 0 HB2 MET A 61 -6.954 4.281 -0.909 1.00 0.63 H new ATOM 0 HB3 MET A 61 -7.515 5.936 -1.045 1.00 0.63 H new ATOM 0 HG2 MET A 61 -5.427 4.945 0.959 1.00 1.32 H new ATOM 0 HG3 MET A 61 -5.075 5.827 -0.514 1.00 1.32 H new ATOM 0 HE1 MET A 61 -5.804 9.356 0.088 1.00 1.43 H new ATOM 0 HE2 MET A 61 -4.285 8.430 0.138 1.00 1.43 H new ATOM 0 HE3 MET A 61 -5.541 8.016 -1.053 1.00 1.43 H new ATOM 942 N CYS A 62 -6.776 3.734 2.300 1.00 0.86 N ATOM 943 CA CYS A 62 -5.952 3.573 3.485 1.00 1.08 C ATOM 944 C CYS A 62 -4.701 2.782 3.097 1.00 1.49 C ATOM 945 O CYS A 62 -4.783 1.818 2.338 1.00 1.70 O ATOM 946 CB CYS A 62 -6.723 2.899 4.623 1.00 1.29 C ATOM 947 SG CYS A 62 -6.197 3.594 6.232 1.00 2.06 S ATOM 0 H CYS A 62 -6.756 2.944 1.655 1.00 0.86 H new ATOM 0 HA CYS A 62 -5.659 4.553 3.863 1.00 1.08 H new ATOM 0 HB2 CYS A 62 -7.794 3.048 4.486 1.00 1.29 H new ATOM 0 HB3 CYS A 62 -6.546 1.824 4.607 1.00 1.29 H new ATOM 0 HG CYS A 62 -4.899 3.579 6.308 1.00 2.06 H new ATOM 953 N GLN A 63 -3.572 3.220 3.636 1.00 1.83 N ATOM 954 CA GLN A 63 -2.330 2.482 3.476 1.00 2.45 C ATOM 955 C GLN A 63 -1.198 3.179 4.231 1.00 1.95 C ATOM 956 O GLN A 63 -1.442 3.891 5.204 1.00 2.19 O ATOM 957 CB GLN A 63 -1.981 2.314 1.996 1.00 3.31 C ATOM 958 CG GLN A 63 -1.683 0.850 1.666 1.00 5.06 C ATOM 959 CD GLN A 63 -0.723 0.242 2.690 1.00 6.24 C ATOM 960 OE1 GLN A 63 0.562 0.390 2.383 1.00 7.55 O flip ATOM 961 NE2 GLN A 63 -1.123 -0.326 3.694 1.00 6.33 N flip ATOM 0 H GLN A 63 -3.491 4.077 4.184 1.00 1.83 H new ATOM 0 HA GLN A 63 -2.463 1.487 3.900 1.00 2.45 H new ATOM 0 HB2 GLN A 63 -2.808 2.668 1.381 1.00 3.31 H new ATOM 0 HB3 GLN A 63 -1.115 2.929 1.751 1.00 3.31 H new ATOM 0 HG2 GLN A 63 -2.612 0.281 1.650 1.00 5.06 H new ATOM 0 HG3 GLN A 63 -1.249 0.779 0.669 1.00 5.06 H new ATOM 0 HE21 GLN A 63 -2.125 -0.405 3.870 1.00 6.33 H new ATOM 0 HE22 GLN A 63 -0.456 -0.721 4.356 1.00 6.33 H new ATOM 970 N GLY A 64 0.017 2.949 3.755 1.00 1.55 N ATOM 971 CA GLY A 64 1.188 3.547 4.373 1.00 1.50 C ATOM 972 C GLY A 64 2.319 3.715 3.355 1.00 1.60 C ATOM 973 O GLY A 64 2.067 3.965 2.178 1.00 2.58 O ATOM 0 H GLY A 64 0.216 2.357 2.949 1.00 1.55 H new ATOM 0 HA2 GLY A 64 0.926 4.517 4.794 1.00 1.50 H new ATOM 0 HA3 GLY A 64 1.527 2.922 5.199 1.00 1.50 H new ATOM 977 N GLY A 65 3.541 3.572 3.848 1.00 1.69 N ATOM 978 CA GLY A 65 4.703 3.566 2.975 1.00 2.15 C ATOM 979 C GLY A 65 5.656 4.711 3.322 1.00 1.87 C ATOM 980 O GLY A 65 5.410 5.465 4.262 1.00 2.75 O ATOM 0 H GLY A 65 3.751 3.460 4.840 1.00 1.69 H new ATOM 0 HA2 GLY A 65 5.225 2.614 3.066 1.00 2.15 H new ATOM 0 HA3 GLY A 65 4.383 3.657 1.937 1.00 2.15 H new ATOM 984 N ASP A 66 6.725 4.804 2.545 1.00 2.35 N ATOM 985 CA ASP A 66 7.729 5.830 2.773 1.00 2.60 C ATOM 986 C ASP A 66 8.168 5.792 4.238 1.00 2.32 C ATOM 987 O ASP A 66 7.648 6.538 5.066 1.00 3.31 O ATOM 988 CB ASP A 66 7.166 7.223 2.485 1.00 3.63 C ATOM 989 CG ASP A 66 6.923 7.530 1.005 1.00 4.83 C ATOM 990 OD1 ASP A 66 7.468 6.774 0.173 1.00 5.40 O ATOM 991 OD2 ASP A 66 6.197 8.511 0.742 1.00 5.87 O ATOM 0 H ASP A 66 6.918 4.186 1.757 1.00 2.35 H new ATOM 0 HA ASP A 66 8.569 5.634 2.106 1.00 2.60 H new ATOM 0 HB2 ASP A 66 6.225 7.336 3.023 1.00 3.63 H new ATOM 0 HB3 ASP A 66 7.854 7.967 2.886 1.00 3.63 H new ATOM 996 N PHE A 67 9.121 4.914 4.513 1.00 1.87 N ATOM 997 CA PHE A 67 9.546 4.674 5.883 1.00 2.53 C ATOM 998 C PHE A 67 11.056 4.436 5.954 1.00 2.33 C ATOM 999 O PHE A 67 11.506 3.292 5.965 1.00 3.14 O ATOM 1000 CB PHE A 67 8.819 3.418 6.364 1.00 3.75 C ATOM 1001 CG PHE A 67 8.988 2.210 5.441 1.00 3.60 C ATOM 1002 CD1 PHE A 67 8.272 2.130 4.286 1.00 4.23 C ATOM 1003 CD2 PHE A 67 9.853 1.214 5.774 1.00 4.00 C ATOM 1004 CE1 PHE A 67 8.429 1.009 3.430 1.00 5.03 C ATOM 1005 CE2 PHE A 67 10.010 0.093 4.916 1.00 4.57 C ATOM 1006 CZ PHE A 67 9.295 0.014 3.763 1.00 5.00 C ATOM 0 H PHE A 67 9.611 4.360 3.811 1.00 1.87 H new ATOM 0 HA PHE A 67 9.312 5.540 6.503 1.00 2.53 H new ATOM 0 HB2 PHE A 67 9.184 3.157 7.357 1.00 3.75 H new ATOM 0 HB3 PHE A 67 7.757 3.641 6.463 1.00 3.75 H new ATOM 0 HD1 PHE A 67 7.584 2.920 4.021 1.00 4.23 H new ATOM 0 HD2 PHE A 67 10.420 1.276 6.691 1.00 4.00 H new ATOM 0 HE1 PHE A 67 7.861 0.946 2.514 1.00 5.03 H new ATOM 0 HE2 PHE A 67 10.698 -0.697 5.180 1.00 4.57 H new ATOM 0 HZ PHE A 67 9.414 -0.839 3.111 1.00 5.00 H new ATOM 1016 N THR A 68 11.795 5.534 6.001 1.00 2.24 N ATOM 1017 CA THR A 68 13.236 5.459 6.178 1.00 2.85 C ATOM 1018 C THR A 68 13.815 6.853 6.427 1.00 2.94 C ATOM 1019 O THR A 68 14.579 7.052 7.371 1.00 3.80 O ATOM 1020 CB THR A 68 13.827 4.766 4.950 1.00 3.35 C ATOM 1021 OG1 THR A 68 15.228 5.002 5.058 1.00 3.95 O ATOM 1022 CG2 THR A 68 13.434 5.456 3.641 1.00 3.45 C ATOM 0 H THR A 68 11.424 6.481 5.920 1.00 2.24 H new ATOM 0 HA THR A 68 13.497 4.871 7.058 1.00 2.85 H new ATOM 0 HB THR A 68 13.497 3.727 4.927 1.00 3.35 H new ATOM 0 HG1 THR A 68 15.689 4.585 4.301 1.00 3.95 H new ATOM 0 HG21 THR A 68 13.880 4.924 2.801 1.00 3.45 H new ATOM 0 HG22 THR A 68 12.349 5.451 3.539 1.00 3.45 H new ATOM 0 HG23 THR A 68 13.793 6.485 3.650 1.00 3.45 H new ATOM 1030 N ARG A 69 13.429 7.782 5.565 1.00 2.54 N ATOM 1031 CA ARG A 69 13.963 9.132 5.631 1.00 3.17 C ATOM 1032 C ARG A 69 12.992 10.052 6.375 1.00 3.44 C ATOM 1033 O ARG A 69 13.413 10.911 7.148 1.00 4.65 O ATOM 1034 CB ARG A 69 14.214 9.694 4.230 1.00 3.46 C ATOM 1035 CG ARG A 69 14.705 11.141 4.300 1.00 4.15 C ATOM 1036 CD ARG A 69 16.051 11.230 5.023 1.00 5.16 C ATOM 1037 NE ARG A 69 16.479 12.643 5.124 1.00 5.99 N ATOM 1038 CZ ARG A 69 16.137 13.461 6.128 1.00 6.92 C ATOM 1039 NH1 ARG A 69 15.203 13.083 7.012 1.00 7.16 N ATOM 1040 NH2 ARG A 69 16.728 14.658 6.250 1.00 8.02 N ATOM 0 H ARG A 69 12.753 7.627 4.817 1.00 2.54 H new ATOM 0 HA ARG A 69 14.910 9.087 6.168 1.00 3.17 H new ATOM 0 HB2 ARG A 69 14.953 9.080 3.715 1.00 3.46 H new ATOM 0 HB3 ARG A 69 13.296 9.646 3.645 1.00 3.46 H new ATOM 0 HG2 ARG A 69 14.802 11.545 3.292 1.00 4.15 H new ATOM 0 HG3 ARG A 69 13.968 11.754 4.819 1.00 4.15 H new ATOM 0 HD2 ARG A 69 15.968 10.795 6.019 1.00 5.16 H new ATOM 0 HD3 ARG A 69 16.802 10.652 4.484 1.00 5.16 H new ATOM 0 HE ARG A 69 17.071 13.017 4.383 1.00 5.99 H new ATOM 0 HH11 ARG A 69 14.753 12.172 6.920 1.00 7.16 H new ATOM 0 HH12 ARG A 69 14.943 13.706 7.777 1.00 7.16 H new ATOM 0 HH21 ARG A 69 17.439 14.947 5.578 1.00 8.02 H new ATOM 0 HH22 ARG A 69 16.467 15.280 7.015 1.00 8.02 H new ATOM 1054 N HIS A 70 11.710 9.840 6.114 1.00 2.76 N ATOM 1055 CA HIS A 70 10.674 10.618 6.773 1.00 3.28 C ATOM 1056 C HIS A 70 10.833 12.096 6.411 1.00 3.67 C ATOM 1057 O HIS A 70 10.745 12.964 7.278 1.00 4.32 O ATOM 1058 CB HIS A 70 10.688 10.372 8.283 1.00 3.72 C ATOM 1059 CG HIS A 70 10.801 8.916 8.669 1.00 3.48 C ATOM 1060 ND1 HIS A 70 12.003 8.324 9.014 1.00 4.23 N ATOM 1061 CD2 HIS A 70 9.850 7.942 8.758 1.00 3.58 C ATOM 1062 CE1 HIS A 70 11.774 7.050 9.297 1.00 4.09 C ATOM 1063 NE2 HIS A 70 10.440 6.815 9.138 1.00 3.82 N ATOM 0 H HIS A 70 11.365 9.141 5.456 1.00 2.76 H new ATOM 0 HA HIS A 70 9.694 10.297 6.420 1.00 3.28 H new ATOM 0 HB2 HIS A 70 11.522 10.919 8.722 1.00 3.72 H new ATOM 0 HB3 HIS A 70 9.775 10.782 8.716 1.00 3.72 H new ATOM 0 HD2 HIS A 70 8.797 8.066 8.554 1.00 3.58 H new ATOM 0 HE1 HIS A 70 12.514 6.325 9.601 1.00 4.09 H new ATOM 0 HE2 HIS A 70 9.973 5.921 9.287 1.00 3.82 H new ATOM 1071 N ASN A 71 11.064 12.336 5.128 1.00 3.64 N ATOM 1072 CA ASN A 71 11.155 13.697 4.627 1.00 4.27 C ATOM 1073 C ASN A 71 11.024 13.683 3.103 1.00 4.54 C ATOM 1074 O ASN A 71 11.985 13.974 2.391 1.00 5.80 O ATOM 1075 CB ASN A 71 12.505 14.324 4.980 1.00 4.61 C ATOM 1076 CG ASN A 71 12.517 15.819 4.653 1.00 5.38 C ATOM 1077 OD1 ASN A 71 11.503 16.497 4.693 1.00 5.64 O ATOM 1078 ND2 ASN A 71 13.717 16.293 4.331 1.00 6.35 N ATOM 0 H ASN A 71 11.191 11.612 4.421 1.00 3.64 H new ATOM 0 HA ASN A 71 10.356 14.280 5.085 1.00 4.27 H new ATOM 0 HB2 ASN A 71 12.712 14.178 6.040 1.00 4.61 H new ATOM 0 HB3 ASN A 71 13.299 13.821 4.428 1.00 4.61 H new ATOM 0 HD21 ASN A 71 13.830 17.280 4.098 1.00 6.35 H new ATOM 0 HD22 ASN A 71 14.525 15.670 4.317 1.00 6.35 H new ATOM 1085 N GLY A 72 9.827 13.343 2.646 1.00 3.89 N ATOM 1086 CA GLY A 72 9.580 13.210 1.221 1.00 4.22 C ATOM 1087 C GLY A 72 9.145 11.785 0.871 1.00 3.36 C ATOM 1088 O GLY A 72 7.980 11.549 0.552 1.00 3.73 O ATOM 0 H GLY A 72 9.018 13.156 3.238 1.00 3.89 H new ATOM 0 HA2 GLY A 72 8.808 13.916 0.915 1.00 4.22 H new ATOM 0 HA3 GLY A 72 10.483 13.465 0.666 1.00 4.22 H new ATOM 1092 N THR A 73 10.102 10.873 0.941 1.00 2.84 N ATOM 1093 CA THR A 73 9.808 9.463 0.756 1.00 2.77 C ATOM 1094 C THR A 73 11.000 8.607 1.190 1.00 2.74 C ATOM 1095 O THR A 73 10.833 7.616 1.900 1.00 3.80 O ATOM 1096 CB THR A 73 9.408 9.251 -0.705 1.00 3.08 C ATOM 1097 OG1 THR A 73 9.661 7.868 -0.938 1.00 4.71 O ATOM 1098 CG2 THR A 73 10.345 9.971 -1.679 1.00 3.15 C ATOM 0 H THR A 73 11.083 11.083 1.124 1.00 2.84 H new ATOM 0 HA THR A 73 8.976 9.147 1.385 1.00 2.77 H new ATOM 0 HB THR A 73 8.387 9.602 -0.856 1.00 3.08 H new ATOM 0 HG1 THR A 73 9.099 7.328 -0.344 1.00 4.71 H new ATOM 0 HG21 THR A 73 10.017 9.788 -2.702 1.00 3.15 H new ATOM 0 HG22 THR A 73 10.326 11.042 -1.478 1.00 3.15 H new ATOM 0 HG23 THR A 73 11.360 9.596 -1.551 1.00 3.15 H new ATOM 1106 N GLY A 74 12.177 9.021 0.744 1.00 2.52 N ATOM 1107 CA GLY A 74 13.403 8.337 1.122 1.00 2.85 C ATOM 1108 C GLY A 74 13.616 7.085 0.270 1.00 3.13 C ATOM 1109 O GLY A 74 14.536 7.034 -0.547 1.00 4.33 O ATOM 0 H GLY A 74 12.308 9.821 0.125 1.00 2.52 H new ATOM 0 HA2 GLY A 74 14.251 9.011 1.003 1.00 2.85 H new ATOM 0 HA3 GLY A 74 13.360 8.061 2.176 1.00 2.85 H new ATOM 1113 N GLY A 75 12.752 6.105 0.488 1.00 2.43 N ATOM 1114 CA GLY A 75 12.870 4.833 -0.206 1.00 2.76 C ATOM 1115 C GLY A 75 11.536 4.085 -0.210 1.00 1.90 C ATOM 1116 O GLY A 75 10.612 4.452 0.513 1.00 3.29 O ATOM 0 H GLY A 75 11.966 6.166 1.136 1.00 2.43 H new ATOM 0 HA2 GLY A 75 13.199 5.003 -1.231 1.00 2.76 H new ATOM 0 HA3 GLY A 75 13.633 4.221 0.276 1.00 2.76 H new ATOM 1120 N LYS A 76 11.479 3.048 -1.033 1.00 1.75 N ATOM 1121 CA LYS A 76 10.241 2.310 -1.222 1.00 3.27 C ATOM 1122 C LYS A 76 10.562 0.912 -1.755 1.00 2.48 C ATOM 1123 O LYS A 76 10.871 0.006 -0.982 1.00 2.17 O ATOM 1124 CB LYS A 76 9.277 3.100 -2.110 1.00 5.26 C ATOM 1125 CG LYS A 76 8.445 4.079 -1.280 1.00 6.61 C ATOM 1126 CD LYS A 76 7.179 4.496 -2.031 1.00 8.74 C ATOM 1127 CE LYS A 76 7.498 5.540 -3.104 1.00 9.28 C ATOM 1128 NZ LYS A 76 7.951 6.803 -2.481 1.00 9.80 N ATOM 0 H LYS A 76 12.270 2.701 -1.576 1.00 1.75 H new ATOM 0 HA LYS A 76 9.727 2.178 -0.270 1.00 3.27 H new ATOM 0 HB2 LYS A 76 9.839 3.646 -2.867 1.00 5.26 H new ATOM 0 HB3 LYS A 76 8.616 2.412 -2.638 1.00 5.26 H new ATOM 0 HG2 LYS A 76 8.174 3.617 -0.331 1.00 6.61 H new ATOM 0 HG3 LYS A 76 9.041 4.961 -1.046 1.00 6.61 H new ATOM 0 HD2 LYS A 76 6.721 3.622 -2.494 1.00 8.74 H new ATOM 0 HD3 LYS A 76 6.452 4.902 -1.328 1.00 8.74 H new ATOM 0 HE2 LYS A 76 8.271 5.159 -3.771 1.00 9.28 H new ATOM 0 HE3 LYS A 76 6.614 5.725 -3.714 1.00 9.28 H new ATOM 0 HZ1 LYS A 76 7.887 7.575 -3.175 1.00 9.80 H new ATOM 0 HZ2 LYS A 76 7.348 7.022 -1.663 1.00 9.80 H new ATOM 0 HZ3 LYS A 76 8.937 6.701 -2.167 1.00 9.80 H new ATOM 1142 N SER A 77 10.478 0.780 -3.069 1.00 2.75 N ATOM 1143 CA SER A 77 10.687 -0.508 -3.708 1.00 2.16 C ATOM 1144 C SER A 77 12.126 -0.975 -3.483 1.00 2.00 C ATOM 1145 O SER A 77 12.979 -0.194 -3.065 1.00 2.47 O ATOM 1146 CB SER A 77 10.378 -0.438 -5.205 1.00 2.03 C ATOM 1147 OG SER A 77 9.158 0.250 -5.468 1.00 3.71 O ATOM 0 H SER A 77 10.268 1.545 -3.710 1.00 2.75 H new ATOM 0 HA SER A 77 10.003 -1.228 -3.258 1.00 2.16 H new ATOM 0 HB2 SER A 77 11.196 0.065 -5.721 1.00 2.03 H new ATOM 0 HB3 SER A 77 10.319 -1.448 -5.610 1.00 2.03 H new ATOM 0 HG SER A 77 9.301 1.215 -5.378 1.00 3.71 H new ATOM 1153 N ILE A 78 12.352 -2.249 -3.772 1.00 1.56 N ATOM 1154 CA ILE A 78 13.657 -2.846 -3.550 1.00 1.66 C ATOM 1155 C ILE A 78 14.546 -2.585 -4.768 1.00 1.78 C ATOM 1156 O ILE A 78 15.705 -2.998 -4.795 1.00 1.92 O ATOM 1157 CB ILE A 78 13.516 -4.328 -3.199 1.00 1.58 C ATOM 1158 CG1 ILE A 78 13.664 -5.204 -4.445 1.00 1.64 C ATOM 1159 CG2 ILE A 78 12.202 -4.595 -2.463 1.00 1.85 C ATOM 1160 CD1 ILE A 78 12.566 -4.896 -5.464 1.00 2.62 C ATOM 0 H ILE A 78 11.653 -2.883 -4.158 1.00 1.56 H new ATOM 0 HA ILE A 78 14.146 -2.384 -2.692 1.00 1.66 H new ATOM 0 HB ILE A 78 14.325 -4.596 -2.520 1.00 1.58 H new ATOM 0 HG12 ILE A 78 14.642 -5.038 -4.897 1.00 1.64 H new ATOM 0 HG13 ILE A 78 13.618 -6.256 -4.162 1.00 1.64 H new ATOM 0 HG21 ILE A 78 12.127 -5.656 -2.225 1.00 1.85 H new ATOM 0 HG22 ILE A 78 12.177 -4.014 -1.541 1.00 1.85 H new ATOM 0 HG23 ILE A 78 11.364 -4.305 -3.097 1.00 1.85 H new ATOM 0 HD11 ILE A 78 12.694 -5.532 -6.340 1.00 2.62 H new ATOM 0 HD12 ILE A 78 11.591 -5.087 -5.017 1.00 2.62 H new ATOM 0 HD13 ILE A 78 12.630 -3.850 -5.763 1.00 2.62 H new ATOM 1172 N TYR A 79 13.971 -1.902 -5.746 1.00 1.85 N ATOM 1173 CA TYR A 79 14.717 -1.519 -6.932 1.00 2.11 C ATOM 1174 C TYR A 79 15.285 -0.106 -6.791 1.00 2.40 C ATOM 1175 O TYR A 79 16.059 0.343 -7.636 1.00 2.67 O ATOM 1176 CB TYR A 79 13.713 -1.540 -8.086 1.00 2.12 C ATOM 1177 CG TYR A 79 13.863 -2.742 -9.021 1.00 2.01 C ATOM 1178 CD1 TYR A 79 14.949 -2.825 -9.868 1.00 3.05 C ATOM 1179 CD2 TYR A 79 12.913 -3.743 -9.017 1.00 2.16 C ATOM 1180 CE1 TYR A 79 15.091 -3.957 -10.748 1.00 3.70 C ATOM 1181 CE2 TYR A 79 13.054 -4.874 -9.897 1.00 2.42 C ATOM 1182 CZ TYR A 79 14.136 -4.925 -10.718 1.00 3.05 C ATOM 1183 OH TYR A 79 14.271 -5.993 -11.549 1.00 3.84 O ATOM 0 H TYR A 79 12.996 -1.604 -5.741 1.00 1.85 H new ATOM 0 HA TYR A 79 15.555 -2.197 -7.094 1.00 2.11 H new ATOM 0 HB2 TYR A 79 12.703 -1.536 -7.675 1.00 2.12 H new ATOM 0 HB3 TYR A 79 13.824 -0.625 -8.667 1.00 2.12 H new ATOM 0 HD1 TYR A 79 15.692 -2.042 -9.871 1.00 3.05 H new ATOM 0 HD2 TYR A 79 12.063 -3.678 -8.353 1.00 2.16 H new ATOM 0 HE1 TYR A 79 15.936 -4.035 -11.416 1.00 3.70 H new ATOM 0 HE2 TYR A 79 12.317 -5.663 -9.904 1.00 2.42 H new ATOM 0 HH TYR A 79 14.635 -6.753 -11.049 1.00 3.84 H new ATOM 1193 N GLY A 80 14.879 0.557 -5.719 1.00 2.43 N ATOM 1194 CA GLY A 80 15.297 1.928 -5.482 1.00 2.80 C ATOM 1195 C GLY A 80 14.090 2.867 -5.421 1.00 2.76 C ATOM 1196 O GLY A 80 14.022 3.845 -6.164 1.00 3.37 O ATOM 0 H GLY A 80 14.264 0.170 -5.003 1.00 2.43 H new ATOM 0 HA2 GLY A 80 15.854 1.985 -4.547 1.00 2.80 H new ATOM 0 HA3 GLY A 80 15.972 2.249 -6.276 1.00 2.80 H new ATOM 1200 N GLU A 81 13.169 2.536 -4.530 1.00 3.28 N ATOM 1201 CA GLU A 81 12.013 3.386 -4.296 1.00 3.42 C ATOM 1202 C GLU A 81 10.957 3.155 -5.377 1.00 2.99 C ATOM 1203 O GLU A 81 9.789 2.917 -5.070 1.00 3.15 O ATOM 1204 CB GLU A 81 12.422 4.860 -4.235 1.00 3.85 C ATOM 1205 CG GLU A 81 11.332 5.702 -3.568 1.00 5.03 C ATOM 1206 CD GLU A 81 11.641 7.196 -3.692 1.00 5.22 C ATOM 1207 OE1 GLU A 81 12.798 7.563 -3.393 1.00 4.81 O ATOM 1208 OE2 GLU A 81 10.714 7.937 -4.084 1.00 6.21 O ATOM 0 H GLU A 81 13.199 1.690 -3.960 1.00 3.28 H new ATOM 0 HA GLU A 81 11.580 3.122 -3.331 1.00 3.42 H new ATOM 0 HB2 GLU A 81 13.355 4.960 -3.680 1.00 3.85 H new ATOM 0 HB3 GLU A 81 12.609 5.232 -5.242 1.00 3.85 H new ATOM 0 HG2 GLU A 81 10.368 5.487 -4.029 1.00 5.03 H new ATOM 0 HG3 GLU A 81 11.250 5.430 -2.516 1.00 5.03 H new ATOM 1215 N LYS A 82 11.403 3.232 -6.623 1.00 2.63 N ATOM 1216 CA LYS A 82 10.498 3.100 -7.752 1.00 2.21 C ATOM 1217 C LYS A 82 11.121 2.165 -8.791 1.00 1.83 C ATOM 1218 O LYS A 82 12.290 1.799 -8.681 1.00 1.99 O ATOM 1219 CB LYS A 82 10.128 4.477 -8.307 1.00 2.35 C ATOM 1220 CG LYS A 82 9.712 5.427 -7.182 1.00 3.73 C ATOM 1221 CD LYS A 82 9.195 6.751 -7.748 1.00 4.39 C ATOM 1222 CE LYS A 82 9.416 7.894 -6.754 1.00 5.47 C ATOM 1223 NZ LYS A 82 8.834 9.152 -7.274 1.00 6.55 N ATOM 0 H LYS A 82 12.380 3.384 -6.875 1.00 2.63 H new ATOM 0 HA LYS A 82 9.558 2.647 -7.436 1.00 2.21 H new ATOM 0 HB2 LYS A 82 10.977 4.896 -8.846 1.00 2.35 H new ATOM 0 HB3 LYS A 82 9.313 4.377 -9.024 1.00 2.35 H new ATOM 0 HG2 LYS A 82 8.937 4.960 -6.574 1.00 3.73 H new ATOM 0 HG3 LYS A 82 10.562 5.615 -6.526 1.00 3.73 H new ATOM 0 HD2 LYS A 82 9.706 6.975 -8.685 1.00 4.39 H new ATOM 0 HD3 LYS A 82 8.133 6.663 -7.977 1.00 4.39 H new ATOM 0 HE2 LYS A 82 8.960 7.644 -5.796 1.00 5.47 H new ATOM 0 HE3 LYS A 82 10.483 8.027 -6.574 1.00 5.47 H new ATOM 0 HZ1 LYS A 82 9.368 9.962 -6.900 1.00 6.55 H new ATOM 0 HZ2 LYS A 82 8.883 9.154 -8.313 1.00 6.55 H new ATOM 0 HZ3 LYS A 82 7.841 9.225 -6.974 1.00 6.55 H new ATOM 1237 N PHE A 83 10.311 1.803 -9.775 1.00 1.48 N ATOM 1238 CA PHE A 83 10.797 1.010 -10.891 1.00 1.38 C ATOM 1239 C PHE A 83 9.771 0.974 -12.027 1.00 1.12 C ATOM 1240 O PHE A 83 8.704 1.575 -11.922 1.00 0.99 O ATOM 1241 CB PHE A 83 11.012 -0.412 -10.369 1.00 1.47 C ATOM 1242 CG PHE A 83 9.757 -1.286 -10.412 1.00 1.06 C ATOM 1243 CD1 PHE A 83 8.743 -1.064 -9.535 1.00 1.66 C ATOM 1244 CD2 PHE A 83 9.657 -2.287 -11.328 1.00 1.99 C ATOM 1245 CE1 PHE A 83 7.578 -1.876 -9.574 1.00 1.71 C ATOM 1246 CE2 PHE A 83 8.492 -3.099 -11.368 1.00 2.23 C ATOM 1247 CZ PHE A 83 7.478 -2.877 -10.490 1.00 1.51 C ATOM 0 H PHE A 83 9.321 2.044 -9.822 1.00 1.48 H new ATOM 0 HA PHE A 83 11.717 1.444 -11.282 1.00 1.38 H new ATOM 0 HB2 PHE A 83 11.795 -0.890 -10.957 1.00 1.47 H new ATOM 0 HB3 PHE A 83 11.372 -0.361 -9.341 1.00 1.47 H new ATOM 0 HD1 PHE A 83 8.823 -0.270 -8.808 1.00 1.66 H new ATOM 0 HD2 PHE A 83 10.463 -2.464 -12.025 1.00 1.99 H new ATOM 0 HE1 PHE A 83 6.772 -1.699 -8.877 1.00 1.71 H new ATOM 0 HE2 PHE A 83 8.412 -3.893 -12.096 1.00 2.23 H new ATOM 0 HZ PHE A 83 6.593 -3.495 -10.520 1.00 1.51 H new ATOM 1257 N GLU A 84 10.132 0.264 -13.085 1.00 1.21 N ATOM 1258 CA GLU A 84 9.312 0.239 -14.285 1.00 1.12 C ATOM 1259 C GLU A 84 7.924 -0.321 -13.967 1.00 0.97 C ATOM 1260 O GLU A 84 7.717 -0.915 -12.911 1.00 0.98 O ATOM 1261 CB GLU A 84 9.989 -0.569 -15.394 1.00 1.38 C ATOM 1262 CG GLU A 84 11.187 0.188 -15.970 1.00 2.35 C ATOM 1263 CD GLU A 84 11.804 -0.575 -17.144 1.00 2.65 C ATOM 1264 OE1 GLU A 84 12.450 -1.609 -16.873 1.00 2.99 O ATOM 1265 OE2 GLU A 84 11.616 -0.105 -18.287 1.00 3.50 O ATOM 0 H GLU A 84 10.981 -0.299 -13.137 1.00 1.21 H new ATOM 0 HA GLU A 84 9.196 1.261 -14.645 1.00 1.12 H new ATOM 0 HB2 GLU A 84 10.317 -1.531 -15.000 1.00 1.38 H new ATOM 0 HB3 GLU A 84 9.271 -0.778 -16.187 1.00 1.38 H new ATOM 0 HG2 GLU A 84 10.872 1.178 -16.300 1.00 2.35 H new ATOM 0 HG3 GLU A 84 11.937 0.335 -15.193 1.00 2.35 H new ATOM 1272 N ASP A 85 7.009 -0.111 -14.903 1.00 1.01 N ATOM 1273 CA ASP A 85 5.649 -0.593 -14.739 1.00 0.98 C ATOM 1274 C ASP A 85 5.502 -1.941 -15.449 1.00 1.07 C ATOM 1275 O ASP A 85 6.410 -2.377 -16.155 1.00 1.87 O ATOM 1276 CB ASP A 85 4.641 0.378 -15.357 1.00 1.11 C ATOM 1277 CG ASP A 85 4.863 1.850 -15.006 1.00 1.96 C ATOM 1278 OD1 ASP A 85 5.670 2.489 -15.715 1.00 3.35 O ATOM 1279 OD2 ASP A 85 4.220 2.305 -14.035 1.00 2.53 O ATOM 0 H ASP A 85 7.183 0.386 -15.776 1.00 1.01 H new ATOM 0 HA ASP A 85 5.451 -0.687 -13.671 1.00 0.98 H new ATOM 0 HB2 ASP A 85 4.673 0.270 -16.441 1.00 1.11 H new ATOM 0 HB3 ASP A 85 3.639 0.091 -15.037 1.00 1.11 H new ATOM 1284 N GLU A 86 4.351 -2.564 -15.236 1.00 0.74 N ATOM 1285 CA GLU A 86 4.072 -3.851 -15.850 1.00 0.79 C ATOM 1286 C GLU A 86 2.977 -3.708 -16.909 1.00 0.80 C ATOM 1287 O GLU A 86 3.221 -3.933 -18.093 1.00 1.05 O ATOM 1288 CB GLU A 86 3.683 -4.889 -14.795 1.00 0.85 C ATOM 1289 CG GLU A 86 4.154 -6.286 -15.200 1.00 2.09 C ATOM 1290 CD GLU A 86 5.368 -6.716 -14.375 1.00 2.70 C ATOM 1291 OE1 GLU A 86 5.164 -7.025 -13.182 1.00 3.54 O ATOM 1292 OE2 GLU A 86 6.475 -6.726 -14.958 1.00 3.57 O ATOM 0 H GLU A 86 3.602 -2.201 -14.647 1.00 0.74 H new ATOM 0 HA GLU A 86 4.980 -4.202 -16.340 1.00 0.79 H new ATOM 0 HB2 GLU A 86 4.121 -4.618 -13.834 1.00 0.85 H new ATOM 0 HB3 GLU A 86 2.601 -4.890 -14.663 1.00 0.85 H new ATOM 0 HG2 GLU A 86 3.343 -7.001 -15.061 1.00 2.09 H new ATOM 0 HG3 GLU A 86 4.409 -6.295 -16.260 1.00 2.09 H new ATOM 1299 N ASN A 87 1.794 -3.333 -16.444 1.00 0.66 N ATOM 1300 CA ASN A 87 0.656 -3.176 -17.334 1.00 0.66 C ATOM 1301 C ASN A 87 -0.546 -2.672 -16.533 1.00 0.59 C ATOM 1302 O ASN A 87 -0.537 -2.712 -15.303 1.00 0.69 O ATOM 1303 CB ASN A 87 0.271 -4.510 -17.976 1.00 0.77 C ATOM 1304 CG ASN A 87 0.616 -5.682 -17.055 1.00 1.04 C ATOM 1305 OD1 ASN A 87 1.526 -6.455 -17.305 1.00 2.51 O ATOM 1306 ND2 ASN A 87 -0.161 -5.772 -15.979 1.00 1.54 N ATOM 0 H ASN A 87 1.599 -3.133 -15.463 1.00 0.66 H new ATOM 0 HA ASN A 87 0.933 -2.467 -18.114 1.00 0.66 H new ATOM 0 HB2 ASN A 87 -0.797 -4.517 -18.195 1.00 0.77 H new ATOM 0 HB3 ASN A 87 0.792 -4.624 -18.926 1.00 0.77 H new ATOM 0 HD21 ASN A 87 -0.012 -6.522 -15.304 1.00 1.54 H new ATOM 0 HD22 ASN A 87 -0.906 -5.091 -15.829 1.00 1.54 H new ATOM 1313 N PHE A 88 -1.550 -2.210 -17.262 1.00 0.59 N ATOM 1314 CA PHE A 88 -2.778 -1.746 -16.638 1.00 0.62 C ATOM 1315 C PHE A 88 -3.967 -2.613 -17.054 1.00 0.66 C ATOM 1316 O PHE A 88 -5.030 -2.093 -17.391 1.00 0.78 O ATOM 1317 CB PHE A 88 -3.011 -0.313 -17.122 1.00 0.75 C ATOM 1318 CG PHE A 88 -1.848 0.639 -16.835 1.00 0.80 C ATOM 1319 CD1 PHE A 88 -1.808 1.331 -15.665 1.00 1.57 C ATOM 1320 CD2 PHE A 88 -0.854 0.793 -17.751 1.00 1.97 C ATOM 1321 CE1 PHE A 88 -0.728 2.214 -15.400 1.00 1.61 C ATOM 1322 CE2 PHE A 88 0.227 1.676 -17.485 1.00 2.04 C ATOM 1323 CZ PHE A 88 0.267 2.368 -16.315 1.00 1.02 C ATOM 0 H PHE A 88 -1.539 -2.147 -18.280 1.00 0.59 H new ATOM 0 HA PHE A 88 -2.687 -1.800 -15.553 1.00 0.62 H new ATOM 0 HB2 PHE A 88 -3.197 -0.329 -18.196 1.00 0.75 H new ATOM 0 HB3 PHE A 88 -3.912 0.077 -16.648 1.00 0.75 H new ATOM 0 HD1 PHE A 88 -2.597 1.209 -14.938 1.00 1.57 H new ATOM 0 HD2 PHE A 88 -0.887 0.244 -18.680 1.00 1.97 H new ATOM 0 HE1 PHE A 88 -0.696 2.764 -14.471 1.00 1.61 H new ATOM 0 HE2 PHE A 88 1.017 1.798 -18.212 1.00 2.04 H new ATOM 0 HZ PHE A 88 1.088 3.039 -16.112 1.00 1.02 H new ATOM 1333 N ILE A 89 -3.748 -3.919 -17.017 1.00 0.62 N ATOM 1334 CA ILE A 89 -4.783 -4.862 -17.404 1.00 0.72 C ATOM 1335 C ILE A 89 -5.934 -4.791 -16.398 1.00 0.76 C ATOM 1336 O ILE A 89 -7.100 -4.744 -16.785 1.00 1.04 O ATOM 1337 CB ILE A 89 -4.195 -6.265 -17.567 1.00 0.77 C ATOM 1338 CG1 ILE A 89 -3.336 -6.355 -18.830 1.00 0.80 C ATOM 1339 CG2 ILE A 89 -5.297 -7.326 -17.546 1.00 0.90 C ATOM 1340 CD1 ILE A 89 -2.302 -7.477 -18.711 1.00 0.83 C ATOM 0 H ILE A 89 -2.869 -4.346 -16.725 1.00 0.62 H new ATOM 0 HA ILE A 89 -5.194 -4.598 -18.378 1.00 0.72 H new ATOM 0 HB ILE A 89 -3.541 -6.463 -16.718 1.00 0.77 H new ATOM 0 HG12 ILE A 89 -3.974 -6.534 -19.696 1.00 0.80 H new ATOM 0 HG13 ILE A 89 -2.829 -5.405 -18.998 1.00 0.80 H new ATOM 0 HG21 ILE A 89 -4.853 -8.314 -17.664 1.00 0.90 H new ATOM 0 HG22 ILE A 89 -5.830 -7.278 -16.596 1.00 0.90 H new ATOM 0 HG23 ILE A 89 -5.995 -7.142 -18.363 1.00 0.90 H new ATOM 0 HD11 ILE A 89 -1.705 -7.519 -19.622 1.00 0.83 H new ATOM 0 HD12 ILE A 89 -1.651 -7.283 -17.859 1.00 0.83 H new ATOM 0 HD13 ILE A 89 -2.813 -8.429 -18.568 1.00 0.83 H new ATOM 1352 N LEU A 90 -5.565 -4.786 -15.125 1.00 0.59 N ATOM 1353 CA LEU A 90 -6.554 -4.793 -14.059 1.00 0.59 C ATOM 1354 C LEU A 90 -7.167 -3.398 -13.930 1.00 0.56 C ATOM 1355 O LEU A 90 -6.579 -2.413 -14.373 1.00 0.72 O ATOM 1356 CB LEU A 90 -5.937 -5.317 -12.761 1.00 0.63 C ATOM 1357 CG LEU A 90 -5.703 -6.828 -12.691 1.00 0.99 C ATOM 1358 CD1 LEU A 90 -4.341 -7.199 -13.282 1.00 1.12 C ATOM 1359 CD2 LEU A 90 -5.867 -7.342 -11.260 1.00 2.40 C ATOM 0 H LEU A 90 -4.596 -4.777 -14.808 1.00 0.59 H new ATOM 0 HA LEU A 90 -7.368 -5.478 -14.297 1.00 0.59 H new ATOM 0 HB2 LEU A 90 -4.982 -4.814 -12.607 1.00 0.63 H new ATOM 0 HB3 LEU A 90 -6.585 -5.031 -11.933 1.00 0.63 H new ATOM 0 HG LEU A 90 -6.462 -7.321 -13.298 1.00 0.99 H new ATOM 0 HD11 LEU A 90 -4.199 -8.278 -13.220 1.00 1.12 H new ATOM 0 HD12 LEU A 90 -4.300 -6.887 -14.326 1.00 1.12 H new ATOM 0 HD13 LEU A 90 -3.552 -6.697 -12.722 1.00 1.12 H new ATOM 0 HD21 LEU A 90 -5.696 -8.418 -11.238 1.00 2.40 H new ATOM 0 HD22 LEU A 90 -5.146 -6.846 -10.610 1.00 2.40 H new ATOM 0 HD23 LEU A 90 -6.877 -7.128 -10.910 1.00 2.40 H new ATOM 1371 N LYS A 91 -8.343 -3.358 -13.320 1.00 0.62 N ATOM 1372 CA LYS A 91 -9.115 -2.128 -13.261 1.00 0.66 C ATOM 1373 C LYS A 91 -9.311 -1.724 -11.799 1.00 0.65 C ATOM 1374 O LYS A 91 -8.848 -2.414 -10.893 1.00 0.63 O ATOM 1375 CB LYS A 91 -10.423 -2.278 -14.039 1.00 0.74 C ATOM 1376 CG LYS A 91 -10.155 -2.440 -15.538 1.00 1.22 C ATOM 1377 CD LYS A 91 -10.164 -1.084 -16.245 1.00 1.93 C ATOM 1378 CE LYS A 91 -11.577 -0.499 -16.292 1.00 2.33 C ATOM 1379 NZ LYS A 91 -11.662 0.574 -17.308 1.00 3.57 N ATOM 0 H LYS A 91 -8.780 -4.158 -12.862 1.00 0.62 H new ATOM 0 HA LYS A 91 -8.575 -1.315 -13.747 1.00 0.66 H new ATOM 0 HB2 LYS A 91 -10.973 -3.143 -13.669 1.00 0.74 H new ATOM 0 HB3 LYS A 91 -11.052 -1.404 -13.871 1.00 0.74 H new ATOM 0 HG2 LYS A 91 -9.191 -2.926 -15.688 1.00 1.22 H new ATOM 0 HG3 LYS A 91 -10.912 -3.089 -15.979 1.00 1.22 H new ATOM 0 HD2 LYS A 91 -9.498 -0.395 -15.725 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -9.779 -1.196 -17.259 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.295 -1.286 -16.525 1.00 2.33 H new ATOM 0 HE3 LYS A 91 -11.845 -0.102 -15.313 1.00 2.33 H new ATOM 0 HZ1 LYS A 91 -12.608 1.005 -17.279 1.00 3.57 H new ATOM 0 HZ2 LYS A 91 -10.944 1.300 -17.107 1.00 3.57 H new ATOM 0 HZ3 LYS A 91 -11.493 0.172 -18.252 1.00 3.57 H new ATOM 1393 N HIS A 92 -10.000 -0.608 -11.615 1.00 0.71 N ATOM 1394 CA HIS A 92 -10.425 -0.201 -10.286 1.00 0.72 C ATOM 1395 C HIS A 92 -11.942 -0.356 -10.162 1.00 0.84 C ATOM 1396 O HIS A 92 -12.689 0.584 -10.428 1.00 0.94 O ATOM 1397 CB HIS A 92 -9.946 1.219 -9.973 1.00 0.72 C ATOM 1398 CG HIS A 92 -8.444 1.360 -9.908 1.00 0.73 C ATOM 1399 ND1 HIS A 92 -7.609 0.951 -10.932 1.00 1.69 N ATOM 1400 CD2 HIS A 92 -7.639 1.871 -8.934 1.00 1.87 C ATOM 1401 CE1 HIS A 92 -6.357 1.207 -10.578 1.00 1.34 C ATOM 1402 NE2 HIS A 92 -6.378 1.777 -9.339 1.00 1.42 N ATOM 0 H HIS A 92 -10.275 0.028 -12.364 1.00 0.71 H new ATOM 0 HA HIS A 92 -9.966 -0.849 -9.539 1.00 0.72 H new ATOM 0 HB2 HIS A 92 -10.332 1.898 -10.734 1.00 0.72 H new ATOM 0 HB3 HIS A 92 -10.372 1.533 -9.020 1.00 0.72 H new ATOM 0 HD1 HIS A 92 -7.906 0.525 -11.810 1.00 1.69 H new ATOM 0 HD2 HIS A 92 -7.971 2.283 -7.992 1.00 1.87 H new ATOM 0 HE1 HIS A 92 -5.476 1.000 -11.167 1.00 1.34 H new ATOM 1410 N THR A 93 -12.352 -1.550 -9.759 1.00 0.88 N ATOM 1411 CA THR A 93 -13.762 -1.897 -9.760 1.00 1.05 C ATOM 1412 C THR A 93 -14.480 -1.216 -8.592 1.00 0.94 C ATOM 1413 O THR A 93 -15.704 -1.105 -8.591 1.00 0.87 O ATOM 1414 CB THR A 93 -13.874 -3.423 -9.735 1.00 1.22 C ATOM 1415 OG1 THR A 93 -13.512 -3.776 -8.403 1.00 1.30 O ATOM 1416 CG2 THR A 93 -12.812 -4.101 -10.603 1.00 1.11 C ATOM 0 H THR A 93 -11.731 -2.289 -9.429 1.00 0.88 H new ATOM 0 HA THR A 93 -14.257 -1.535 -10.661 1.00 1.05 H new ATOM 0 HB THR A 93 -14.866 -3.720 -10.076 1.00 1.22 H new ATOM 0 HG1 THR A 93 -13.559 -4.749 -8.298 1.00 1.30 H new ATOM 0 HG21 THR A 93 -12.935 -5.183 -10.550 1.00 1.11 H new ATOM 0 HG22 THR A 93 -12.923 -3.773 -11.636 1.00 1.11 H new ATOM 0 HG23 THR A 93 -11.820 -3.831 -10.241 1.00 1.11 H new ATOM 1424 N GLY A 94 -13.685 -0.778 -7.626 1.00 1.00 N ATOM 1425 CA GLY A 94 -14.228 -0.106 -6.458 1.00 0.94 C ATOM 1426 C GLY A 94 -13.405 -0.425 -5.208 1.00 0.80 C ATOM 1427 O GLY A 94 -12.179 -0.502 -5.272 1.00 0.70 O ATOM 0 H GLY A 94 -12.670 -0.876 -7.629 1.00 1.00 H new ATOM 0 HA2 GLY A 94 -14.238 0.971 -6.626 1.00 0.94 H new ATOM 0 HA3 GLY A 94 -15.262 -0.414 -6.305 1.00 0.94 H new ATOM 1431 N PRO A 95 -14.131 -0.607 -4.073 1.00 0.85 N ATOM 1432 CA PRO A 95 -13.478 -0.875 -2.803 1.00 0.80 C ATOM 1433 C PRO A 95 -12.962 -2.314 -2.744 1.00 0.91 C ATOM 1434 O PRO A 95 -13.430 -3.175 -3.486 1.00 1.12 O ATOM 1435 CB PRO A 95 -14.533 -0.579 -1.749 1.00 0.85 C ATOM 1436 CG PRO A 95 -15.867 -0.605 -2.475 1.00 0.98 C ATOM 1437 CD PRO A 95 -15.586 -0.562 -3.968 1.00 0.98 C ATOM 0 HA PRO A 95 -12.593 -0.258 -2.647 1.00 0.80 H new ATOM 0 HB2 PRO A 95 -14.508 -1.322 -0.952 1.00 0.85 H new ATOM 0 HB3 PRO A 95 -14.360 0.392 -1.285 1.00 0.85 H new ATOM 0 HG2 PRO A 95 -16.424 -1.506 -2.217 1.00 0.98 H new ATOM 0 HG3 PRO A 95 -16.480 0.246 -2.177 1.00 0.98 H new ATOM 0 HD2 PRO A 95 -16.046 -1.406 -4.482 1.00 0.98 H new ATOM 0 HD3 PRO A 95 -15.988 0.345 -4.421 1.00 0.98 H new ATOM 1445 N GLY A 96 -12.003 -2.529 -1.855 1.00 0.90 N ATOM 1446 CA GLY A 96 -11.441 -3.856 -1.666 1.00 1.07 C ATOM 1447 C GLY A 96 -10.355 -4.144 -2.703 1.00 0.92 C ATOM 1448 O GLY A 96 -9.976 -5.298 -2.906 1.00 0.97 O ATOM 0 H GLY A 96 -11.601 -1.807 -1.258 1.00 0.90 H new ATOM 0 HA2 GLY A 96 -11.022 -3.938 -0.663 1.00 1.07 H new ATOM 0 HA3 GLY A 96 -12.230 -4.604 -1.744 1.00 1.07 H new ATOM 1452 N ILE A 97 -9.883 -3.078 -3.332 1.00 0.90 N ATOM 1453 CA ILE A 97 -8.902 -3.209 -4.395 1.00 0.81 C ATOM 1454 C ILE A 97 -7.550 -2.689 -3.904 1.00 0.79 C ATOM 1455 O ILE A 97 -7.467 -1.600 -3.339 1.00 0.82 O ATOM 1456 CB ILE A 97 -9.399 -2.522 -5.669 1.00 0.74 C ATOM 1457 CG1 ILE A 97 -10.618 -3.247 -6.243 1.00 1.15 C ATOM 1458 CG2 ILE A 97 -8.273 -2.393 -6.697 1.00 0.79 C ATOM 1459 CD1 ILE A 97 -10.195 -4.468 -7.062 1.00 1.01 C ATOM 0 H ILE A 97 -10.162 -2.119 -3.125 1.00 0.90 H new ATOM 0 HA ILE A 97 -8.763 -4.258 -4.658 1.00 0.81 H new ATOM 0 HB ILE A 97 -9.717 -1.512 -5.411 1.00 0.74 H new ATOM 0 HG12 ILE A 97 -11.275 -3.559 -5.431 1.00 1.15 H new ATOM 0 HG13 ILE A 97 -11.189 -2.564 -6.871 1.00 1.15 H new ATOM 0 HG21 ILE A 97 -8.653 -1.902 -7.593 1.00 0.79 H new ATOM 0 HG22 ILE A 97 -7.461 -1.801 -6.275 1.00 0.79 H new ATOM 0 HG23 ILE A 97 -7.902 -3.385 -6.957 1.00 0.79 H new ATOM 0 HD11 ILE A 97 -11.081 -4.965 -7.458 1.00 1.01 H new ATOM 0 HD12 ILE A 97 -9.558 -4.150 -7.887 1.00 1.01 H new ATOM 0 HD13 ILE A 97 -9.645 -5.161 -6.425 1.00 1.01 H new ATOM 1471 N LEU A 98 -6.522 -3.494 -4.136 1.00 0.81 N ATOM 1472 CA LEU A 98 -5.173 -3.113 -3.758 1.00 0.84 C ATOM 1473 C LEU A 98 -4.482 -2.449 -4.951 1.00 0.76 C ATOM 1474 O LEU A 98 -3.927 -3.133 -5.810 1.00 0.65 O ATOM 1475 CB LEU A 98 -4.412 -4.317 -3.198 1.00 0.94 C ATOM 1476 CG LEU A 98 -3.160 -3.997 -2.380 1.00 1.03 C ATOM 1477 CD1 LEU A 98 -3.064 -4.899 -1.148 1.00 1.61 C ATOM 1478 CD2 LEU A 98 -1.902 -4.077 -3.248 1.00 1.72 C ATOM 0 H LEU A 98 -6.598 -4.409 -4.581 1.00 0.81 H new ATOM 0 HA LEU A 98 -5.196 -2.378 -2.953 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -5.093 -4.893 -2.572 1.00 0.94 H new ATOM 0 HB3 LEU A 98 -4.124 -4.959 -4.030 1.00 0.94 H new ATOM 0 HG LEU A 98 -3.240 -2.971 -2.022 1.00 1.03 H new ATOM 0 HD11 LEU A 98 -2.165 -4.650 -0.584 1.00 1.61 H new ATOM 0 HD12 LEU A 98 -3.941 -4.749 -0.518 1.00 1.61 H new ATOM 0 HD13 LEU A 98 -3.018 -5.941 -1.463 1.00 1.61 H new ATOM 0 HD21 LEU A 98 -1.026 -3.845 -2.642 1.00 1.72 H new ATOM 0 HD22 LEU A 98 -1.805 -5.083 -3.656 1.00 1.72 H new ATOM 0 HD23 LEU A 98 -1.978 -3.360 -4.065 1.00 1.72 H new ATOM 1490 N SER A 99 -4.538 -1.126 -4.967 1.00 0.96 N ATOM 1491 CA SER A 99 -4.021 -0.367 -6.093 1.00 0.96 C ATOM 1492 C SER A 99 -2.677 0.264 -5.727 1.00 0.94 C ATOM 1493 O SER A 99 -2.371 0.441 -4.549 1.00 0.99 O ATOM 1494 CB SER A 99 -5.013 0.712 -6.532 1.00 0.98 C ATOM 1495 OG SER A 99 -4.369 1.779 -7.222 1.00 1.58 O ATOM 0 H SER A 99 -4.934 -0.559 -4.217 1.00 0.96 H new ATOM 0 HA SER A 99 -3.877 -1.051 -6.929 1.00 0.96 H new ATOM 0 HB2 SER A 99 -5.770 0.267 -7.178 1.00 0.98 H new ATOM 0 HB3 SER A 99 -5.531 1.106 -5.658 1.00 0.98 H new ATOM 0 HG SER A 99 -4.873 1.995 -8.034 1.00 1.58 H new ATOM 1501 N MET A 100 -1.910 0.585 -6.758 1.00 0.95 N ATOM 1502 CA MET A 100 -0.569 1.108 -6.560 1.00 0.95 C ATOM 1503 C MET A 100 -0.503 2.596 -6.906 1.00 0.88 C ATOM 1504 O MET A 100 -1.025 3.022 -7.935 1.00 1.03 O ATOM 1505 CB MET A 100 0.417 0.335 -7.439 1.00 1.11 C ATOM 1506 CG MET A 100 0.584 -1.103 -6.944 1.00 1.89 C ATOM 1507 SD MET A 100 2.142 -1.277 -6.092 1.00 2.25 S ATOM 1508 CE MET A 100 3.267 -1.114 -7.469 1.00 1.79 C ATOM 0 H MET A 100 -2.192 0.493 -7.734 1.00 0.95 H new ATOM 0 HA MET A 100 -0.305 0.987 -5.509 1.00 0.95 H new ATOM 0 HB2 MET A 100 0.063 0.329 -8.470 1.00 1.11 H new ATOM 0 HB3 MET A 100 1.384 0.839 -7.436 1.00 1.11 H new ATOM 0 HG2 MET A 100 -0.237 -1.364 -6.276 1.00 1.89 H new ATOM 0 HG3 MET A 100 0.541 -1.794 -7.786 1.00 1.89 H new ATOM 0 HE1 MET A 100 4.229 -1.555 -7.207 1.00 1.79 H new ATOM 0 HE2 MET A 100 2.856 -1.628 -8.338 1.00 1.79 H new ATOM 0 HE3 MET A 100 3.404 -0.058 -7.704 1.00 1.79 H new ATOM 1518 N ALA A 101 0.142 3.348 -6.025 1.00 0.94 N ATOM 1519 CA ALA A 101 0.355 4.765 -6.264 1.00 0.86 C ATOM 1520 C ALA A 101 1.411 4.941 -7.357 1.00 1.11 C ATOM 1521 O ALA A 101 2.296 4.101 -7.511 1.00 1.66 O ATOM 1522 CB ALA A 101 0.750 5.450 -4.955 1.00 0.74 C ATOM 0 H ALA A 101 0.524 3.002 -5.145 1.00 0.94 H new ATOM 0 HA ALA A 101 -0.563 5.237 -6.614 1.00 0.86 H new ATOM 0 HB1 ALA A 101 0.910 6.513 -5.135 1.00 0.74 H new ATOM 0 HB2 ALA A 101 -0.047 5.321 -4.222 1.00 0.74 H new ATOM 0 HB3 ALA A 101 1.669 5.004 -4.574 1.00 0.74 H new ATOM 1528 N ASN A 102 1.284 6.039 -8.087 1.00 1.39 N ATOM 1529 CA ASN A 102 2.112 6.258 -9.261 1.00 1.78 C ATOM 1530 C ASN A 102 2.210 7.760 -9.538 1.00 1.56 C ATOM 1531 O ASN A 102 1.212 8.474 -9.467 1.00 1.44 O ATOM 1532 CB ASN A 102 1.504 5.588 -10.495 1.00 2.29 C ATOM 1533 CG ASN A 102 2.319 5.911 -11.750 1.00 2.37 C ATOM 1534 OD1 ASN A 102 2.057 6.864 -12.463 1.00 3.68 O ATOM 1535 ND2 ASN A 102 3.319 5.063 -11.978 1.00 2.83 N ATOM 0 H ASN A 102 0.620 6.787 -7.888 1.00 1.39 H new ATOM 0 HA ASN A 102 3.095 5.830 -9.065 1.00 1.78 H new ATOM 0 HB2 ASN A 102 1.469 4.509 -10.347 1.00 2.29 H new ATOM 0 HB3 ASN A 102 0.476 5.925 -10.627 1.00 2.29 H new ATOM 0 HD21 ASN A 102 3.921 5.191 -12.791 1.00 2.83 H new ATOM 0 HD22 ASN A 102 3.483 4.285 -11.340 1.00 2.83 H new ATOM 1542 N ALA A 103 3.424 8.193 -9.848 1.00 1.65 N ATOM 1543 CA ALA A 103 3.694 9.612 -10.003 1.00 1.45 C ATOM 1544 C ALA A 103 4.207 9.877 -11.420 1.00 1.36 C ATOM 1545 O ALA A 103 4.885 10.874 -11.662 1.00 1.42 O ATOM 1546 CB ALA A 103 4.686 10.063 -8.931 1.00 1.56 C ATOM 0 H ALA A 103 4.231 7.586 -9.996 1.00 1.65 H new ATOM 0 HA ALA A 103 2.782 10.193 -9.868 1.00 1.45 H new ATOM 0 HB1 ALA A 103 4.888 11.128 -9.047 1.00 1.56 H new ATOM 0 HB2 ALA A 103 4.263 9.880 -7.943 1.00 1.56 H new ATOM 0 HB3 ALA A 103 5.615 9.503 -9.037 1.00 1.56 H new ATOM 1552 N GLY A 104 3.865 8.966 -12.319 1.00 1.35 N ATOM 1553 CA GLY A 104 4.322 9.063 -13.695 1.00 1.32 C ATOM 1554 C GLY A 104 4.835 7.713 -14.199 1.00 1.20 C ATOM 1555 O GLY A 104 4.519 6.672 -13.625 1.00 1.31 O ATOM 0 H GLY A 104 3.276 8.157 -12.121 1.00 1.35 H new ATOM 0 HA2 GLY A 104 3.505 9.406 -14.330 1.00 1.32 H new ATOM 0 HA3 GLY A 104 5.115 9.807 -13.767 1.00 1.32 H new ATOM 1559 N PRO A 105 5.638 7.776 -15.295 1.00 1.14 N ATOM 1560 CA PRO A 105 6.179 6.569 -15.896 1.00 1.24 C ATOM 1561 C PRO A 105 7.319 5.999 -15.051 1.00 1.07 C ATOM 1562 O PRO A 105 8.284 6.700 -14.750 1.00 1.08 O ATOM 1563 CB PRO A 105 6.623 6.989 -17.288 1.00 1.56 C ATOM 1564 CG PRO A 105 6.744 8.504 -17.248 1.00 1.52 C ATOM 1565 CD PRO A 105 6.050 8.993 -15.988 1.00 1.22 C ATOM 0 HA PRO A 105 5.448 5.762 -15.952 1.00 1.24 H new ATOM 0 HB2 PRO A 105 7.575 6.528 -17.550 1.00 1.56 H new ATOM 0 HB3 PRO A 105 5.899 6.675 -18.040 1.00 1.56 H new ATOM 0 HG2 PRO A 105 7.792 8.803 -17.247 1.00 1.52 H new ATOM 0 HG3 PRO A 105 6.286 8.947 -18.132 1.00 1.52 H new ATOM 0 HD2 PRO A 105 6.722 9.591 -15.372 1.00 1.22 H new ATOM 0 HD3 PRO A 105 5.193 9.622 -16.227 1.00 1.22 H new ATOM 1573 N ASN A 106 7.171 4.732 -14.692 1.00 1.09 N ATOM 1574 CA ASN A 106 8.193 4.050 -13.917 1.00 1.16 C ATOM 1575 C ASN A 106 8.338 4.732 -12.556 1.00 1.27 C ATOM 1576 O ASN A 106 9.451 4.990 -12.102 1.00 1.51 O ATOM 1577 CB ASN A 106 9.550 4.109 -14.623 1.00 1.42 C ATOM 1578 CG ASN A 106 9.433 3.644 -16.076 1.00 2.11 C ATOM 1579 OD1 ASN A 106 8.483 2.990 -16.471 1.00 2.90 O ATOM 1580 ND2 ASN A 106 10.452 4.017 -16.845 1.00 2.87 N ATOM 0 H ASN A 106 6.359 4.160 -14.924 1.00 1.09 H new ATOM 0 HA ASN A 106 7.890 3.009 -13.803 1.00 1.16 H new ATOM 0 HB2 ASN A 106 9.935 5.128 -14.594 1.00 1.42 H new ATOM 0 HB3 ASN A 106 10.267 3.482 -14.093 1.00 1.42 H new ATOM 0 HD21 ASN A 106 10.469 3.756 -17.831 1.00 2.87 H new ATOM 0 HD22 ASN A 106 11.216 4.565 -16.449 1.00 2.87 H new ATOM 1587 N THR A 107 7.195 5.005 -11.943 1.00 1.36 N ATOM 1588 CA THR A 107 7.180 5.570 -10.605 1.00 1.73 C ATOM 1589 C THR A 107 6.312 4.720 -9.676 1.00 2.00 C ATOM 1590 O THR A 107 6.099 5.077 -8.519 1.00 2.41 O ATOM 1591 CB THR A 107 6.714 7.024 -10.711 1.00 1.82 C ATOM 1592 OG1 THR A 107 5.309 6.923 -10.930 1.00 3.56 O ATOM 1593 CG2 THR A 107 7.238 7.717 -11.970 1.00 2.12 C ATOM 0 H THR A 107 6.273 4.845 -12.349 1.00 1.36 H new ATOM 0 HA THR A 107 8.176 5.564 -10.162 1.00 1.73 H new ATOM 0 HB THR A 107 7.043 7.575 -9.830 1.00 1.82 H new ATOM 0 HG1 THR A 107 5.134 6.825 -11.889 1.00 3.56 H new ATOM 0 HG21 THR A 107 6.878 8.745 -11.996 1.00 2.12 H new ATOM 0 HG22 THR A 107 8.328 7.714 -11.960 1.00 2.12 H new ATOM 0 HG23 THR A 107 6.882 7.186 -12.853 1.00 2.12 H new ATOM 1601 N ASN A 108 5.833 3.610 -10.219 1.00 2.10 N ATOM 1602 CA ASN A 108 4.928 2.747 -9.479 1.00 2.52 C ATOM 1603 C ASN A 108 5.701 2.033 -8.369 1.00 2.63 C ATOM 1604 O ASN A 108 6.201 0.926 -8.568 1.00 3.12 O ATOM 1605 CB ASN A 108 4.318 1.679 -10.391 1.00 2.70 C ATOM 1606 CG ASN A 108 5.408 0.885 -11.112 1.00 3.04 C ATOM 1607 OD1 ASN A 108 5.960 1.531 -12.135 1.00 3.98 O flip ATOM 1608 ND2 ASN A 108 5.727 -0.239 -10.763 1.00 3.90 N flip ATOM 0 H ASN A 108 6.054 3.289 -11.161 1.00 2.10 H new ATOM 0 HA ASN A 108 4.133 3.368 -9.066 1.00 2.52 H new ATOM 0 HB2 ASN A 108 3.700 1.002 -9.801 1.00 2.70 H new ATOM 0 HB3 ASN A 108 3.663 2.152 -11.123 1.00 2.70 H new ATOM 0 HD21 ASN A 108 5.262 -0.677 -9.968 1.00 3.90 H new ATOM 0 HD22 ASN A 108 6.459 -0.741 -11.266 1.00 3.90 H new ATOM 1615 N GLY A 109 5.776 2.695 -7.224 1.00 2.44 N ATOM 1616 CA GLY A 109 6.500 2.149 -6.089 1.00 2.61 C ATOM 1617 C GLY A 109 5.799 0.904 -5.539 1.00 2.90 C ATOM 1618 O GLY A 109 4.583 0.771 -5.655 1.00 4.56 O ATOM 0 H GLY A 109 5.347 3.605 -7.058 1.00 2.44 H new ATOM 0 HA2 GLY A 109 7.517 1.896 -6.389 1.00 2.61 H new ATOM 0 HA3 GLY A 109 6.578 2.903 -5.306 1.00 2.61 H new ATOM 1622 N SER A 110 6.598 0.025 -4.953 1.00 2.18 N ATOM 1623 CA SER A 110 6.064 -1.180 -4.342 1.00 2.78 C ATOM 1624 C SER A 110 4.944 -0.819 -3.364 1.00 2.77 C ATOM 1625 O SER A 110 4.020 -1.603 -3.157 1.00 3.66 O ATOM 1626 CB SER A 110 7.162 -1.966 -3.623 1.00 3.44 C ATOM 1627 OG SER A 110 8.113 -2.510 -4.534 1.00 4.70 O ATOM 0 H SER A 110 7.611 0.123 -4.888 1.00 2.18 H new ATOM 0 HA SER A 110 5.659 -1.813 -5.132 1.00 2.78 H new ATOM 0 HB2 SER A 110 7.671 -1.312 -2.915 1.00 3.44 H new ATOM 0 HB3 SER A 110 6.711 -2.773 -3.045 1.00 3.44 H new ATOM 0 HG SER A 110 8.798 -3.003 -4.036 1.00 4.70 H new ATOM 1633 N GLN A 111 5.063 0.370 -2.790 1.00 2.15 N ATOM 1634 CA GLN A 111 4.042 0.869 -1.885 1.00 2.25 C ATOM 1635 C GLN A 111 2.695 0.966 -2.606 1.00 1.78 C ATOM 1636 O GLN A 111 2.640 1.335 -3.778 1.00 2.02 O ATOM 1637 CB GLN A 111 4.447 2.221 -1.294 1.00 2.46 C ATOM 1638 CG GLN A 111 5.664 2.075 -0.378 1.00 3.65 C ATOM 1639 CD GLN A 111 5.440 0.974 0.660 1.00 5.71 C ATOM 1640 OE1 GLN A 111 4.462 0.959 1.388 1.00 6.65 O ATOM 1641 NE2 GLN A 111 6.400 0.053 0.687 1.00 6.91 N ATOM 0 H GLN A 111 5.851 1.002 -2.934 1.00 2.15 H new ATOM 0 HA GLN A 111 3.940 0.165 -1.059 1.00 2.25 H new ATOM 0 HB2 GLN A 111 4.674 2.920 -2.098 1.00 2.46 H new ATOM 0 HB3 GLN A 111 3.613 2.641 -0.732 1.00 2.46 H new ATOM 0 HG2 GLN A 111 6.547 1.843 -0.974 1.00 3.65 H new ATOM 0 HG3 GLN A 111 5.859 3.021 0.127 1.00 3.65 H new ATOM 0 HE21 GLN A 111 7.193 0.124 0.050 1.00 6.91 H new ATOM 0 HE22 GLN A 111 6.343 -0.724 1.345 1.00 6.91 H new ATOM 1650 N PHE A 112 1.643 0.629 -1.873 1.00 1.49 N ATOM 1651 CA PHE A 112 0.312 0.583 -2.455 1.00 1.23 C ATOM 1652 C PHE A 112 -0.678 1.401 -1.623 1.00 1.08 C ATOM 1653 O PHE A 112 -0.280 2.113 -0.702 1.00 1.18 O ATOM 1654 CB PHE A 112 -0.126 -0.883 -2.451 1.00 1.62 C ATOM 1655 CG PHE A 112 -0.154 -1.521 -1.060 1.00 2.22 C ATOM 1656 CD1 PHE A 112 1.003 -1.942 -0.481 1.00 2.29 C ATOM 1657 CD2 PHE A 112 -1.335 -1.666 -0.403 1.00 3.52 C ATOM 1658 CE1 PHE A 112 0.977 -2.533 0.809 1.00 2.92 C ATOM 1659 CE2 PHE A 112 -1.361 -2.258 0.888 1.00 4.23 C ATOM 1660 CZ PHE A 112 -0.205 -2.680 1.467 1.00 3.68 C ATOM 0 H PHE A 112 1.685 0.386 -0.883 1.00 1.49 H new ATOM 0 HA PHE A 112 0.331 1.000 -3.462 1.00 1.23 H new ATOM 0 HB2 PHE A 112 -1.120 -0.956 -2.893 1.00 1.62 H new ATOM 0 HB3 PHE A 112 0.549 -1.455 -3.088 1.00 1.62 H new ATOM 0 HD1 PHE A 112 1.941 -1.826 -1.003 1.00 2.29 H new ATOM 0 HD2 PHE A 112 -2.253 -1.331 -0.862 1.00 3.52 H new ATOM 0 HE1 PHE A 112 1.896 -2.866 1.269 1.00 2.92 H new ATOM 0 HE2 PHE A 112 -2.299 -2.373 1.410 1.00 4.23 H new ATOM 0 HZ PHE A 112 -0.225 -3.131 2.448 1.00 3.68 H new ATOM 1670 N PHE A 113 -1.947 1.271 -1.977 1.00 1.05 N ATOM 1671 CA PHE A 113 -3.011 1.854 -1.178 1.00 1.14 C ATOM 1672 C PHE A 113 -4.337 1.127 -1.412 1.00 1.10 C ATOM 1673 O PHE A 113 -4.665 0.778 -2.545 1.00 1.58 O ATOM 1674 CB PHE A 113 -3.157 3.312 -1.621 1.00 1.33 C ATOM 1675 CG PHE A 113 -2.072 4.240 -1.075 1.00 2.14 C ATOM 1676 CD1 PHE A 113 -0.918 4.422 -1.771 1.00 2.74 C ATOM 1677 CD2 PHE A 113 -2.261 4.886 0.107 1.00 3.68 C ATOM 1678 CE1 PHE A 113 0.090 5.284 -1.265 1.00 4.37 C ATOM 1679 CE2 PHE A 113 -1.253 5.748 0.614 1.00 5.17 C ATOM 1680 CZ PHE A 113 -0.100 5.929 -0.082 1.00 5.37 C ATOM 0 H PHE A 113 -2.263 0.770 -2.807 1.00 1.05 H new ATOM 0 HA PHE A 113 -2.766 1.773 -0.119 1.00 1.14 H new ATOM 0 HB2 PHE A 113 -3.141 3.353 -2.710 1.00 1.33 H new ATOM 0 HB3 PHE A 113 -4.131 3.682 -1.302 1.00 1.33 H new ATOM 0 HD1 PHE A 113 -0.768 3.910 -2.710 1.00 2.74 H new ATOM 0 HD2 PHE A 113 -3.178 4.743 0.660 1.00 3.68 H new ATOM 0 HE1 PHE A 113 1.006 5.428 -1.818 1.00 4.37 H new ATOM 0 HE2 PHE A 113 -1.403 6.260 1.553 1.00 5.17 H new ATOM 0 HZ PHE A 113 0.666 6.585 0.304 1.00 5.37 H new ATOM 1690 N ILE A 114 -5.061 0.918 -0.323 1.00 1.11 N ATOM 1691 CA ILE A 114 -6.322 0.199 -0.390 1.00 1.09 C ATOM 1692 C ILE A 114 -7.455 1.189 -0.667 1.00 1.00 C ATOM 1693 O ILE A 114 -8.089 1.688 0.262 1.00 1.63 O ATOM 1694 CB ILE A 114 -6.531 -0.635 0.876 1.00 1.21 C ATOM 1695 CG1 ILE A 114 -5.320 -1.531 1.148 1.00 1.34 C ATOM 1696 CG2 ILE A 114 -7.831 -1.438 0.796 1.00 1.29 C ATOM 1697 CD1 ILE A 114 -5.042 -1.636 2.648 1.00 1.41 C ATOM 0 H ILE A 114 -4.799 1.234 0.611 1.00 1.11 H new ATOM 0 HA ILE A 114 -6.311 -0.513 -1.215 1.00 1.09 H new ATOM 0 HB ILE A 114 -6.625 0.046 1.722 1.00 1.21 H new ATOM 0 HG12 ILE A 114 -5.499 -2.525 0.737 1.00 1.34 H new ATOM 0 HG13 ILE A 114 -4.444 -1.129 0.639 1.00 1.34 H new ATOM 0 HG21 ILE A 114 -7.955 -2.022 1.708 1.00 1.29 H new ATOM 0 HG22 ILE A 114 -8.674 -0.756 0.684 1.00 1.29 H new ATOM 0 HG23 ILE A 114 -7.792 -2.109 -0.062 1.00 1.29 H new ATOM 0 HD11 ILE A 114 -4.177 -2.278 2.814 1.00 1.41 H new ATOM 0 HD12 ILE A 114 -4.840 -0.644 3.051 1.00 1.41 H new ATOM 0 HD13 ILE A 114 -5.911 -2.061 3.150 1.00 1.41 H new ATOM 1709 N CYS A 115 -7.675 1.443 -1.948 1.00 0.73 N ATOM 1710 CA CYS A 115 -8.790 2.276 -2.366 1.00 0.77 C ATOM 1711 C CYS A 115 -10.087 1.610 -1.904 1.00 0.87 C ATOM 1712 O CYS A 115 -10.472 0.565 -2.426 1.00 1.36 O ATOM 1713 CB CYS A 115 -8.779 2.522 -3.875 1.00 1.07 C ATOM 1714 SG CYS A 115 -8.716 0.925 -4.767 1.00 1.84 S ATOM 0 H CYS A 115 -7.100 1.086 -2.711 1.00 0.73 H new ATOM 0 HA CYS A 115 -8.705 3.260 -1.905 1.00 0.77 H new ATOM 0 HB2 CYS A 115 -9.670 3.077 -4.168 1.00 1.07 H new ATOM 0 HB3 CYS A 115 -7.919 3.134 -4.146 1.00 1.07 H new ATOM 0 HG CYS A 115 -8.186 0.020 -3.999 1.00 1.84 H new ATOM 1720 N THR A 116 -10.726 2.242 -0.930 1.00 0.61 N ATOM 1721 CA THR A 116 -11.924 1.679 -0.333 1.00 0.74 C ATOM 1722 C THR A 116 -13.160 2.470 -0.769 1.00 0.68 C ATOM 1723 O THR A 116 -14.003 2.817 0.056 1.00 0.73 O ATOM 1724 CB THR A 116 -11.728 1.648 1.184 1.00 0.92 C ATOM 1725 OG1 THR A 116 -10.454 1.034 1.356 1.00 1.59 O ATOM 1726 CG2 THR A 116 -12.699 0.694 1.882 1.00 1.71 C ATOM 0 H THR A 116 -10.436 3.139 -0.540 1.00 0.61 H new ATOM 0 HA THR A 116 -12.092 0.658 -0.674 1.00 0.74 H new ATOM 0 HB THR A 116 -11.856 2.653 1.587 1.00 0.92 H new ATOM 0 HG1 THR A 116 -9.749 1.674 1.126 1.00 1.59 H new ATOM 0 HG21 THR A 116 -12.516 0.711 2.956 1.00 1.71 H new ATOM 0 HG22 THR A 116 -13.724 1.008 1.683 1.00 1.71 H new ATOM 0 HG23 THR A 116 -12.550 -0.318 1.504 1.00 1.71 H new ATOM 1734 N ALA A 117 -13.228 2.729 -2.067 1.00 0.72 N ATOM 1735 CA ALA A 117 -14.374 3.422 -2.632 1.00 0.78 C ATOM 1736 C ALA A 117 -14.197 3.541 -4.147 1.00 0.92 C ATOM 1737 O ALA A 117 -13.142 3.200 -4.681 1.00 0.97 O ATOM 1738 CB ALA A 117 -14.531 4.785 -1.955 1.00 0.74 C ATOM 0 H ALA A 117 -12.509 2.472 -2.743 1.00 0.72 H new ATOM 0 HA ALA A 117 -15.290 2.860 -2.450 1.00 0.78 H new ATOM 0 HB1 ALA A 117 -15.390 5.305 -2.379 1.00 0.74 H new ATOM 0 HB2 ALA A 117 -14.683 4.644 -0.885 1.00 0.74 H new ATOM 0 HB3 ALA A 117 -13.631 5.378 -2.119 1.00 0.74 H new ATOM 1744 N LYS A 118 -15.244 4.025 -4.797 1.00 1.04 N ATOM 1745 CA LYS A 118 -15.218 4.191 -6.241 1.00 1.23 C ATOM 1746 C LYS A 118 -14.104 5.170 -6.618 1.00 0.96 C ATOM 1747 O LYS A 118 -14.151 6.342 -6.250 1.00 1.24 O ATOM 1748 CB LYS A 118 -16.598 4.603 -6.758 1.00 1.69 C ATOM 1749 CG LYS A 118 -16.657 4.524 -8.284 1.00 1.96 C ATOM 1750 CD LYS A 118 -17.572 5.609 -8.854 1.00 3.22 C ATOM 1751 CE LYS A 118 -17.692 5.484 -10.374 1.00 3.57 C ATOM 1752 NZ LYS A 118 -18.165 6.756 -10.965 1.00 5.30 N ATOM 0 H LYS A 118 -16.117 4.308 -4.351 1.00 1.04 H new ATOM 0 HA LYS A 118 -14.989 3.243 -6.729 1.00 1.23 H new ATOM 0 HB2 LYS A 118 -17.360 3.954 -6.327 1.00 1.69 H new ATOM 0 HB3 LYS A 118 -16.823 5.619 -6.434 1.00 1.69 H new ATOM 0 HG2 LYS A 118 -15.654 4.635 -8.697 1.00 1.96 H new ATOM 0 HG3 LYS A 118 -17.019 3.542 -8.587 1.00 1.96 H new ATOM 0 HD2 LYS A 118 -18.560 5.531 -8.400 1.00 3.22 H new ATOM 0 HD3 LYS A 118 -17.179 6.593 -8.597 1.00 3.22 H new ATOM 0 HE2 LYS A 118 -16.725 5.216 -10.800 1.00 3.57 H new ATOM 0 HE3 LYS A 118 -18.384 4.680 -10.625 1.00 3.57 H new ATOM 0 HZ1 LYS A 118 -17.925 6.779 -11.977 1.00 5.30 H new ATOM 0 HZ2 LYS A 118 -19.196 6.829 -10.852 1.00 5.30 H new ATOM 0 HZ3 LYS A 118 -17.706 7.555 -10.482 1.00 5.30 H new ATOM 1766 N THR A 119 -13.125 4.650 -7.345 1.00 0.86 N ATOM 1767 CA THR A 119 -11.995 5.460 -7.766 1.00 0.64 C ATOM 1768 C THR A 119 -11.682 5.214 -9.243 1.00 0.62 C ATOM 1769 O THR A 119 -10.810 4.412 -9.572 1.00 0.69 O ATOM 1770 CB THR A 119 -10.820 5.151 -6.836 1.00 0.70 C ATOM 1771 OG1 THR A 119 -10.948 3.758 -6.567 1.00 1.10 O ATOM 1772 CG2 THR A 119 -10.968 5.812 -5.465 1.00 0.75 C ATOM 0 H THR A 119 -13.092 3.678 -7.653 1.00 0.86 H new ATOM 0 HA THR A 119 -12.220 6.524 -7.688 1.00 0.64 H new ATOM 0 HB THR A 119 -9.892 5.485 -7.300 1.00 0.70 H new ATOM 0 HG1 THR A 119 -11.596 3.623 -5.844 1.00 1.10 H new ATOM 0 HG21 THR A 119 -10.108 5.560 -4.845 1.00 0.75 H new ATOM 0 HG22 THR A 119 -11.023 6.894 -5.587 1.00 0.75 H new ATOM 0 HG23 THR A 119 -11.879 5.454 -4.985 1.00 0.75 H new ATOM 1780 N GLU A 120 -12.413 5.919 -10.096 1.00 0.77 N ATOM 1781 CA GLU A 120 -12.341 5.671 -11.526 1.00 0.85 C ATOM 1782 C GLU A 120 -11.286 6.573 -12.168 1.00 0.78 C ATOM 1783 O GLU A 120 -10.928 6.385 -13.330 1.00 0.84 O ATOM 1784 CB GLU A 120 -13.707 5.869 -12.185 1.00 1.18 C ATOM 1785 CG GLU A 120 -14.084 7.351 -12.234 1.00 2.34 C ATOM 1786 CD GLU A 120 -15.576 7.548 -11.962 1.00 2.96 C ATOM 1787 OE1 GLU A 120 -16.371 7.157 -12.844 1.00 3.07 O ATOM 1788 OE2 GLU A 120 -15.889 8.083 -10.876 1.00 4.20 O ATOM 0 H GLU A 120 -13.057 6.661 -9.824 1.00 0.77 H new ATOM 0 HA GLU A 120 -12.046 4.633 -11.682 1.00 0.85 H new ATOM 0 HB2 GLU A 120 -13.689 5.461 -13.196 1.00 1.18 H new ATOM 0 HB3 GLU A 120 -14.465 5.316 -11.631 1.00 1.18 H new ATOM 0 HG2 GLU A 120 -13.501 7.903 -11.497 1.00 2.34 H new ATOM 0 HG3 GLU A 120 -13.832 7.762 -13.212 1.00 2.34 H new ATOM 1795 N TRP A 121 -10.818 7.533 -11.385 1.00 0.76 N ATOM 1796 CA TRP A 121 -9.851 8.499 -11.880 1.00 0.84 C ATOM 1797 C TRP A 121 -8.451 7.967 -11.571 1.00 0.74 C ATOM 1798 O TRP A 121 -7.454 8.624 -11.868 1.00 0.91 O ATOM 1799 CB TRP A 121 -10.110 9.886 -11.287 1.00 0.98 C ATOM 1800 CG TRP A 121 -9.717 10.015 -9.814 1.00 0.84 C ATOM 1801 CD1 TRP A 121 -8.523 10.349 -9.304 1.00 0.85 C ATOM 1802 CD2 TRP A 121 -10.575 9.798 -8.673 1.00 0.77 C ATOM 1803 NE1 TRP A 121 -8.549 10.363 -7.924 1.00 0.77 N ATOM 1804 CE2 TRP A 121 -9.835 10.017 -7.529 1.00 0.70 C ATOM 1805 CE3 TRP A 121 -11.929 9.429 -8.611 1.00 0.85 C ATOM 1806 CZ2 TRP A 121 -10.365 9.892 -6.239 1.00 0.67 C ATOM 1807 CZ3 TRP A 121 -12.444 9.308 -7.315 1.00 0.85 C ATOM 1808 CH2 TRP A 121 -11.713 9.525 -6.152 1.00 0.74 C ATOM 0 H TRP A 121 -11.090 7.663 -10.411 1.00 0.76 H new ATOM 0 HA TRP A 121 -9.945 8.622 -12.959 1.00 0.84 H new ATOM 0 HB2 TRP A 121 -9.558 10.626 -11.866 1.00 0.98 H new ATOM 0 HB3 TRP A 121 -11.169 10.123 -11.392 1.00 0.98 H new ATOM 0 HD1 TRP A 121 -7.651 10.578 -9.898 1.00 0.85 H new ATOM 0 HE1 TRP A 121 -7.768 10.586 -7.308 1.00 0.77 H new ATOM 0 HE3 TRP A 121 -12.526 9.253 -9.494 1.00 0.85 H new ATOM 0 HZ2 TRP A 121 -9.766 10.069 -5.358 1.00 0.67 H new ATOM 0 HZ3 TRP A 121 -13.481 9.026 -7.211 1.00 0.85 H new ATOM 0 HH2 TRP A 121 -12.183 9.411 -5.186 1.00 0.74 H new ATOM 1819 N LEU A 122 -8.421 6.782 -10.980 1.00 0.56 N ATOM 1820 CA LEU A 122 -7.163 6.089 -10.757 1.00 0.58 C ATOM 1821 C LEU A 122 -7.089 4.867 -11.675 1.00 0.59 C ATOM 1822 O LEU A 122 -6.091 4.148 -11.679 1.00 0.80 O ATOM 1823 CB LEU A 122 -6.990 5.755 -9.275 1.00 0.64 C ATOM 1824 CG LEU A 122 -7.113 6.931 -8.303 1.00 0.73 C ATOM 1825 CD1 LEU A 122 -6.968 6.462 -6.854 1.00 0.88 C ATOM 1826 CD2 LEU A 122 -6.113 8.036 -8.650 1.00 0.80 C ATOM 0 H LEU A 122 -9.247 6.284 -10.649 1.00 0.56 H new ATOM 0 HA LEU A 122 -6.323 6.734 -11.015 1.00 0.58 H new ATOM 0 HB2 LEU A 122 -7.733 5.005 -9.003 1.00 0.64 H new ATOM 0 HB3 LEU A 122 -6.010 5.297 -9.138 1.00 0.64 H new ATOM 0 HG LEU A 122 -8.111 7.356 -8.406 1.00 0.73 H new ATOM 0 HD11 LEU A 122 -7.059 7.317 -6.184 1.00 0.88 H new ATOM 0 HD12 LEU A 122 -7.750 5.737 -6.626 1.00 0.88 H new ATOM 0 HD13 LEU A 122 -5.992 5.997 -6.718 1.00 0.88 H new ATOM 0 HD21 LEU A 122 -6.221 8.860 -7.944 1.00 0.80 H new ATOM 0 HD22 LEU A 122 -5.099 7.640 -8.593 1.00 0.80 H new ATOM 0 HD23 LEU A 122 -6.305 8.397 -9.661 1.00 0.80 H new ATOM 1838 N ASP A 123 -8.158 4.671 -12.432 1.00 0.58 N ATOM 1839 CA ASP A 123 -8.303 3.461 -13.224 1.00 0.70 C ATOM 1840 C ASP A 123 -7.190 3.406 -14.271 1.00 0.85 C ATOM 1841 O ASP A 123 -6.484 2.404 -14.379 1.00 1.95 O ATOM 1842 CB ASP A 123 -9.645 3.440 -13.959 1.00 0.89 C ATOM 1843 CG ASP A 123 -9.992 2.113 -14.634 1.00 1.04 C ATOM 1844 OD1 ASP A 123 -10.218 1.137 -13.885 1.00 1.71 O ATOM 1845 OD2 ASP A 123 -10.024 2.102 -15.884 1.00 2.37 O ATOM 0 H ASP A 123 -8.932 5.330 -12.514 1.00 0.58 H new ATOM 0 HA ASP A 123 -8.249 2.608 -12.548 1.00 0.70 H new ATOM 0 HB2 ASP A 123 -10.435 3.687 -13.249 1.00 0.89 H new ATOM 0 HB3 ASP A 123 -9.640 4.225 -14.716 1.00 0.89 H new ATOM 1850 N GLY A 124 -7.066 4.494 -15.016 1.00 1.49 N ATOM 1851 CA GLY A 124 -6.074 4.569 -16.074 1.00 1.58 C ATOM 1852 C GLY A 124 -4.872 5.411 -15.639 1.00 1.60 C ATOM 1853 O GLY A 124 -4.526 6.391 -16.298 1.00 2.32 O ATOM 0 H GLY A 124 -7.637 5.332 -14.907 1.00 1.49 H new ATOM 0 HA2 GLY A 124 -5.743 3.565 -16.339 1.00 1.58 H new ATOM 0 HA3 GLY A 124 -6.522 5.003 -16.968 1.00 1.58 H new ATOM 1857 N LYS A 125 -4.269 4.998 -14.535 1.00 1.08 N ATOM 1858 CA LYS A 125 -3.157 5.741 -13.967 1.00 1.09 C ATOM 1859 C LYS A 125 -2.408 4.851 -12.973 1.00 0.98 C ATOM 1860 O LYS A 125 -1.184 4.743 -13.029 1.00 1.16 O ATOM 1861 CB LYS A 125 -3.645 7.060 -13.364 1.00 1.15 C ATOM 1862 CG LYS A 125 -2.466 7.959 -12.985 1.00 2.31 C ATOM 1863 CD LYS A 125 -2.922 9.407 -12.789 1.00 3.16 C ATOM 1864 CE LYS A 125 -3.788 9.542 -11.535 1.00 4.32 C ATOM 1865 NZ LYS A 125 -5.178 9.894 -11.901 1.00 5.26 N ATOM 0 H LYS A 125 -4.529 4.158 -14.018 1.00 1.08 H new ATOM 0 HA LYS A 125 -2.447 6.017 -14.747 1.00 1.09 H new ATOM 0 HB2 LYS A 125 -4.285 7.576 -14.079 1.00 1.15 H new ATOM 0 HB3 LYS A 125 -4.252 6.858 -12.481 1.00 1.15 H new ATOM 0 HG2 LYS A 125 -2.004 7.592 -12.068 1.00 2.31 H new ATOM 0 HG3 LYS A 125 -1.706 7.916 -13.765 1.00 2.31 H new ATOM 0 HD2 LYS A 125 -2.052 10.058 -12.707 1.00 3.16 H new ATOM 0 HD3 LYS A 125 -3.485 9.736 -13.662 1.00 3.16 H new ATOM 0 HE2 LYS A 125 -3.779 8.606 -10.977 1.00 4.32 H new ATOM 0 HE3 LYS A 125 -3.373 10.308 -10.880 1.00 4.32 H new ATOM 0 HZ1 LYS A 125 -5.537 10.618 -11.246 1.00 5.26 H new ATOM 0 HZ2 LYS A 125 -5.198 10.266 -12.872 1.00 5.26 H new ATOM 0 HZ3 LYS A 125 -5.778 9.046 -11.843 1.00 5.26 H new ATOM 1879 N HIS A 126 -3.176 4.234 -12.086 1.00 0.84 N ATOM 1880 CA HIS A 126 -2.600 3.368 -11.071 1.00 0.82 C ATOM 1881 C HIS A 126 -2.563 1.928 -11.587 1.00 0.91 C ATOM 1882 O HIS A 126 -3.267 1.588 -12.537 1.00 1.80 O ATOM 1883 CB HIS A 126 -3.354 3.505 -9.748 1.00 0.91 C ATOM 1884 CG HIS A 126 -3.052 4.780 -8.998 1.00 1.07 C ATOM 1885 ND1 HIS A 126 -2.379 5.846 -9.571 1.00 0.88 N ATOM 1886 CD2 HIS A 126 -3.339 5.151 -7.717 1.00 2.32 C ATOM 1887 CE1 HIS A 126 -2.271 6.808 -8.666 1.00 0.87 C ATOM 1888 NE2 HIS A 126 -2.866 6.375 -7.517 1.00 2.07 N ATOM 0 H HIS A 126 -4.192 4.317 -12.049 1.00 0.84 H new ATOM 0 HA HIS A 126 -1.573 3.671 -10.869 1.00 0.82 H new ATOM 0 HB2 HIS A 126 -4.425 3.457 -9.945 1.00 0.91 H new ATOM 0 HB3 HIS A 126 -3.108 2.655 -9.112 1.00 0.91 H new ATOM 0 HD1 HIS A 126 -2.026 5.884 -10.527 1.00 0.88 H new ATOM 0 HD2 HIS A 126 -3.863 4.550 -6.988 1.00 2.32 H new ATOM 0 HE1 HIS A 126 -1.795 7.767 -8.812 1.00 0.87 H new ATOM 1896 N VAL A 127 -1.736 1.122 -10.939 1.00 0.67 N ATOM 1897 CA VAL A 127 -1.630 -0.283 -11.293 1.00 0.63 C ATOM 1898 C VAL A 127 -2.234 -1.134 -10.174 1.00 0.60 C ATOM 1899 O VAL A 127 -2.048 -0.838 -8.995 1.00 0.84 O ATOM 1900 CB VAL A 127 -0.172 -0.639 -11.592 1.00 0.76 C ATOM 1901 CG1 VAL A 127 -0.024 -2.130 -11.904 1.00 0.98 C ATOM 1902 CG2 VAL A 127 0.377 0.218 -12.735 1.00 0.84 C ATOM 0 H VAL A 127 -1.133 1.415 -10.170 1.00 0.67 H new ATOM 0 HA VAL A 127 -2.195 -0.491 -12.202 1.00 0.63 H new ATOM 0 HB VAL A 127 0.416 -0.424 -10.699 1.00 0.76 H new ATOM 0 HG11 VAL A 127 1.022 -2.356 -12.113 1.00 0.98 H new ATOM 0 HG12 VAL A 127 -0.358 -2.716 -11.048 1.00 0.98 H new ATOM 0 HG13 VAL A 127 -0.630 -2.382 -12.774 1.00 0.98 H new ATOM 0 HG21 VAL A 127 1.415 -0.054 -12.928 1.00 0.84 H new ATOM 0 HG22 VAL A 127 -0.216 0.049 -13.634 1.00 0.84 H new ATOM 0 HG23 VAL A 127 0.324 1.271 -12.458 1.00 0.84 H new ATOM 1912 N VAL A 128 -2.947 -2.173 -10.583 1.00 0.49 N ATOM 1913 CA VAL A 128 -3.548 -3.090 -9.630 1.00 0.51 C ATOM 1914 C VAL A 128 -2.932 -4.479 -9.807 1.00 0.56 C ATOM 1915 O VAL A 128 -2.783 -4.958 -10.930 1.00 0.60 O ATOM 1916 CB VAL A 128 -5.070 -3.087 -9.790 1.00 0.51 C ATOM 1917 CG1 VAL A 128 -5.748 -3.764 -8.598 1.00 0.58 C ATOM 1918 CG2 VAL A 128 -5.598 -1.665 -9.987 1.00 0.56 C ATOM 0 H VAL A 128 -3.122 -2.400 -11.562 1.00 0.49 H new ATOM 0 HA VAL A 128 -3.340 -2.770 -8.609 1.00 0.51 H new ATOM 0 HB VAL A 128 -5.314 -3.661 -10.684 1.00 0.51 H new ATOM 0 HG11 VAL A 128 -6.829 -3.748 -8.737 1.00 0.58 H new ATOM 0 HG12 VAL A 128 -5.407 -4.797 -8.524 1.00 0.58 H new ATOM 0 HG13 VAL A 128 -5.492 -3.230 -7.683 1.00 0.58 H new ATOM 0 HG21 VAL A 128 -6.682 -1.692 -10.098 1.00 0.56 H new ATOM 0 HG22 VAL A 128 -5.337 -1.057 -9.121 1.00 0.56 H new ATOM 0 HG23 VAL A 128 -5.152 -1.232 -10.882 1.00 0.56 H new ATOM 1928 N PHE A 129 -2.589 -5.087 -8.680 1.00 0.75 N ATOM 1929 CA PHE A 129 -1.942 -6.388 -8.698 1.00 0.86 C ATOM 1930 C PHE A 129 -2.262 -7.178 -7.428 1.00 0.89 C ATOM 1931 O PHE A 129 -1.475 -8.021 -7.002 1.00 1.06 O ATOM 1932 CB PHE A 129 -0.434 -6.135 -8.761 1.00 0.98 C ATOM 1933 CG PHE A 129 0.191 -5.764 -7.416 1.00 1.50 C ATOM 1934 CD1 PHE A 129 -0.116 -4.578 -6.827 1.00 2.33 C ATOM 1935 CD2 PHE A 129 1.056 -6.621 -6.808 1.00 2.70 C ATOM 1936 CE1 PHE A 129 0.465 -4.232 -5.579 1.00 3.12 C ATOM 1937 CE2 PHE A 129 1.636 -6.276 -5.559 1.00 3.47 C ATOM 1938 CZ PHE A 129 1.328 -5.089 -4.971 1.00 3.34 C ATOM 0 H PHE A 129 -2.747 -4.702 -7.749 1.00 0.75 H new ATOM 0 HA PHE A 129 -2.294 -6.967 -9.551 1.00 0.86 H new ATOM 0 HB2 PHE A 129 0.058 -7.029 -9.145 1.00 0.98 H new ATOM 0 HB3 PHE A 129 -0.240 -5.333 -9.474 1.00 0.98 H new ATOM 0 HD1 PHE A 129 -0.803 -3.898 -7.309 1.00 2.33 H new ATOM 0 HD2 PHE A 129 1.301 -7.563 -7.276 1.00 2.70 H new ATOM 0 HE1 PHE A 129 0.222 -3.289 -5.113 1.00 3.12 H new ATOM 0 HE2 PHE A 129 2.322 -6.956 -5.076 1.00 3.47 H new ATOM 0 HZ PHE A 129 1.769 -4.827 -4.021 1.00 3.34 H new ATOM 1948 N GLY A 130 -3.420 -6.875 -6.858 1.00 0.81 N ATOM 1949 CA GLY A 130 -3.853 -7.545 -5.644 1.00 0.85 C ATOM 1950 C GLY A 130 -5.292 -7.164 -5.291 1.00 0.84 C ATOM 1951 O GLY A 130 -5.827 -6.188 -5.815 1.00 0.83 O ATOM 0 H GLY A 130 -4.071 -6.175 -7.215 1.00 0.81 H new ATOM 0 HA2 GLY A 130 -3.781 -8.625 -5.775 1.00 0.85 H new ATOM 0 HA3 GLY A 130 -3.190 -7.278 -4.821 1.00 0.85 H new ATOM 1955 N LYS A 131 -5.880 -7.955 -4.405 1.00 0.92 N ATOM 1956 CA LYS A 131 -7.240 -7.701 -3.961 1.00 0.99 C ATOM 1957 C LYS A 131 -7.380 -8.113 -2.494 1.00 1.03 C ATOM 1958 O LYS A 131 -6.834 -9.133 -2.078 1.00 1.29 O ATOM 1959 CB LYS A 131 -8.243 -8.388 -4.890 1.00 1.08 C ATOM 1960 CG LYS A 131 -9.675 -7.955 -4.568 1.00 1.80 C ATOM 1961 CD LYS A 131 -10.688 -8.976 -5.088 1.00 2.06 C ATOM 1962 CE LYS A 131 -10.869 -10.124 -4.092 1.00 2.24 C ATOM 1963 NZ LYS A 131 -11.698 -9.689 -2.946 1.00 3.27 N ATOM 0 H LYS A 131 -5.439 -8.772 -3.983 1.00 0.92 H new ATOM 0 HA LYS A 131 -7.465 -6.636 -4.016 1.00 0.99 H new ATOM 0 HB2 LYS A 131 -8.010 -8.144 -5.927 1.00 1.08 H new ATOM 0 HB3 LYS A 131 -8.155 -9.470 -4.790 1.00 1.08 H new ATOM 0 HG2 LYS A 131 -9.790 -7.840 -3.490 1.00 1.80 H new ATOM 0 HG3 LYS A 131 -9.873 -6.981 -5.015 1.00 1.80 H new ATOM 0 HD2 LYS A 131 -11.646 -8.487 -5.263 1.00 2.06 H new ATOM 0 HD3 LYS A 131 -10.352 -9.371 -6.047 1.00 2.06 H new ATOM 0 HE2 LYS A 131 -11.340 -10.973 -4.588 1.00 2.24 H new ATOM 0 HE3 LYS A 131 -9.896 -10.462 -3.737 1.00 2.24 H new ATOM 0 HZ1 LYS A 131 -12.023 -10.523 -2.416 1.00 3.27 H new ATOM 0 HZ2 LYS A 131 -11.133 -9.080 -2.320 1.00 3.27 H new ATOM 0 HZ3 LYS A 131 -12.521 -9.158 -3.295 1.00 3.27 H new ATOM 1977 N VAL A 132 -8.112 -7.297 -1.751 1.00 0.85 N ATOM 1978 CA VAL A 132 -8.332 -7.566 -0.340 1.00 0.87 C ATOM 1979 C VAL A 132 -9.353 -8.695 -0.193 1.00 1.02 C ATOM 1980 O VAL A 132 -10.431 -8.643 -0.782 1.00 1.19 O ATOM 1981 CB VAL A 132 -8.754 -6.281 0.377 1.00 0.79 C ATOM 1982 CG1 VAL A 132 -8.879 -6.511 1.885 1.00 0.79 C ATOM 1983 CG2 VAL A 132 -7.782 -5.139 0.075 1.00 0.89 C ATOM 0 H VAL A 132 -8.560 -6.449 -2.099 1.00 0.85 H new ATOM 0 HA VAL A 132 -7.409 -7.900 0.134 1.00 0.87 H new ATOM 0 HB VAL A 132 -9.735 -5.993 -0.001 1.00 0.79 H new ATOM 0 HG11 VAL A 132 -9.180 -5.583 2.371 1.00 0.79 H new ATOM 0 HG12 VAL A 132 -9.628 -7.279 2.075 1.00 0.79 H new ATOM 0 HG13 VAL A 132 -7.918 -6.835 2.285 1.00 0.79 H new ATOM 0 HG21 VAL A 132 -8.105 -4.238 0.597 1.00 0.89 H new ATOM 0 HG22 VAL A 132 -6.782 -5.414 0.411 1.00 0.89 H new ATOM 0 HG23 VAL A 132 -7.765 -4.950 -0.998 1.00 0.89 H new ATOM 1993 N LYS A 133 -8.977 -9.691 0.596 1.00 1.13 N ATOM 1994 CA LYS A 133 -9.866 -10.807 0.869 1.00 1.33 C ATOM 1995 C LYS A 133 -10.638 -10.533 2.162 1.00 1.37 C ATOM 1996 O LYS A 133 -11.849 -10.318 2.132 1.00 2.45 O ATOM 1997 CB LYS A 133 -9.086 -12.123 0.885 1.00 1.55 C ATOM 1998 CG LYS A 133 -10.035 -13.322 0.904 1.00 2.19 C ATOM 1999 CD LYS A 133 -9.464 -14.460 1.754 1.00 2.31 C ATOM 2000 CE LYS A 133 -8.142 -14.967 1.175 1.00 1.97 C ATOM 2001 NZ LYS A 133 -8.349 -15.521 -0.181 1.00 3.26 N ATOM 0 H LYS A 133 -8.068 -9.748 1.055 1.00 1.13 H new ATOM 0 HA LYS A 133 -10.603 -10.911 0.073 1.00 1.33 H new ATOM 0 HB2 LYS A 133 -8.442 -12.179 0.008 1.00 1.55 H new ATOM 0 HB3 LYS A 133 -8.437 -12.155 1.760 1.00 1.55 H new ATOM 0 HG2 LYS A 133 -11.003 -13.018 1.301 1.00 2.19 H new ATOM 0 HG3 LYS A 133 -10.204 -13.673 -0.114 1.00 2.19 H new ATOM 0 HD2 LYS A 133 -9.308 -14.113 2.775 1.00 2.31 H new ATOM 0 HD3 LYS A 133 -10.182 -15.279 1.802 1.00 2.31 H new ATOM 0 HE2 LYS A 133 -7.419 -14.152 1.135 1.00 1.97 H new ATOM 0 HE3 LYS A 133 -7.723 -15.733 1.827 1.00 1.97 H new ATOM 0 HZ1 LYS A 133 -7.549 -16.137 -0.430 1.00 3.26 H new ATOM 0 HZ2 LYS A 133 -9.230 -16.073 -0.200 1.00 3.26 H new ATOM 0 HZ3 LYS A 133 -8.413 -14.743 -0.868 1.00 3.26 H new ATOM 2015 N GLU A 134 -9.906 -10.551 3.266 1.00 0.88 N ATOM 2016 CA GLU A 134 -10.511 -10.335 4.569 1.00 0.83 C ATOM 2017 C GLU A 134 -9.619 -9.436 5.426 1.00 0.82 C ATOM 2018 O GLU A 134 -8.409 -9.368 5.211 1.00 1.51 O ATOM 2019 CB GLU A 134 -10.786 -11.666 5.272 1.00 1.12 C ATOM 2020 CG GLU A 134 -11.895 -12.444 4.562 1.00 1.85 C ATOM 2021 CD GLU A 134 -12.040 -13.850 5.146 1.00 2.01 C ATOM 2022 OE1 GLU A 134 -12.820 -13.984 6.113 1.00 2.43 O ATOM 2023 OE2 GLU A 134 -11.368 -14.759 4.613 1.00 2.62 O ATOM 0 H GLU A 134 -8.899 -10.712 3.285 1.00 0.88 H new ATOM 0 HA GLU A 134 -11.468 -9.833 4.426 1.00 0.83 H new ATOM 0 HB2 GLU A 134 -9.875 -12.264 5.295 1.00 1.12 H new ATOM 0 HB3 GLU A 134 -11.072 -11.482 6.307 1.00 1.12 H new ATOM 0 HG2 GLU A 134 -12.839 -11.908 4.658 1.00 1.85 H new ATOM 0 HG3 GLU A 134 -11.673 -12.510 3.497 1.00 1.85 H new ATOM 2030 N GLY A 135 -10.250 -8.767 6.380 1.00 0.81 N ATOM 2031 CA GLY A 135 -9.519 -7.923 7.311 1.00 0.80 C ATOM 2032 C GLY A 135 -9.686 -6.445 6.957 1.00 0.71 C ATOM 2033 O GLY A 135 -9.115 -5.577 7.616 1.00 0.88 O ATOM 0 H GLY A 135 -11.259 -8.792 6.529 1.00 0.81 H new ATOM 0 HA2 GLY A 135 -9.876 -8.100 8.326 1.00 0.80 H new ATOM 0 HA3 GLY A 135 -8.462 -8.188 7.294 1.00 0.80 H new ATOM 2037 N MET A 136 -10.470 -6.202 5.917 1.00 0.64 N ATOM 2038 CA MET A 136 -10.649 -4.851 5.413 1.00 0.84 C ATOM 2039 C MET A 136 -11.424 -3.991 6.413 1.00 0.67 C ATOM 2040 O MET A 136 -11.421 -2.766 6.317 1.00 0.69 O ATOM 2041 CB MET A 136 -11.405 -4.897 4.084 1.00 1.17 C ATOM 2042 CG MET A 136 -12.915 -4.994 4.316 1.00 1.64 C ATOM 2043 SD MET A 136 -13.781 -4.875 2.760 1.00 1.99 S ATOM 2044 CE MET A 136 -13.478 -3.160 2.369 1.00 1.57 C ATOM 0 H MET A 136 -10.989 -6.919 5.409 1.00 0.64 H new ATOM 0 HA MET A 136 -9.665 -4.405 5.265 1.00 0.84 H new ATOM 0 HB2 MET A 136 -11.179 -4.003 3.502 1.00 1.17 H new ATOM 0 HB3 MET A 136 -11.068 -5.752 3.499 1.00 1.17 H new ATOM 0 HG2 MET A 136 -13.156 -5.938 4.804 1.00 1.64 H new ATOM 0 HG3 MET A 136 -13.240 -4.197 4.985 1.00 1.64 H new ATOM 0 HE1 MET A 136 -14.275 -2.787 1.726 1.00 1.57 H new ATOM 0 HE2 MET A 136 -13.451 -2.576 3.289 1.00 1.57 H new ATOM 0 HE3 MET A 136 -12.522 -3.068 1.853 1.00 1.57 H new ATOM 2054 N ASN A 137 -12.071 -4.670 7.351 1.00 0.60 N ATOM 2055 CA ASN A 137 -12.838 -3.983 8.376 1.00 0.63 C ATOM 2056 C ASN A 137 -11.878 -3.301 9.353 1.00 0.56 C ATOM 2057 O ASN A 137 -12.236 -2.312 9.992 1.00 0.60 O ATOM 2058 CB ASN A 137 -13.700 -4.966 9.169 1.00 0.77 C ATOM 2059 CG ASN A 137 -12.833 -6.006 9.882 1.00 1.58 C ATOM 2060 OD1 ASN A 137 -12.367 -5.807 10.992 1.00 2.74 O ATOM 2061 ND2 ASN A 137 -12.645 -7.122 9.185 1.00 2.92 N ATOM 0 H ASN A 137 -12.079 -5.688 7.422 1.00 0.60 H new ATOM 0 HA ASN A 137 -13.482 -3.254 7.884 1.00 0.63 H new ATOM 0 HB2 ASN A 137 -14.298 -4.422 9.901 1.00 0.77 H new ATOM 0 HB3 ASN A 137 -14.397 -5.467 8.498 1.00 0.77 H new ATOM 0 HD21 ASN A 137 -12.081 -7.878 9.574 1.00 2.92 H new ATOM 0 HD22 ASN A 137 -13.065 -7.223 8.261 1.00 2.92 H new ATOM 2068 N ILE A 138 -10.679 -3.856 9.440 1.00 0.55 N ATOM 2069 CA ILE A 138 -9.626 -3.243 10.233 1.00 0.60 C ATOM 2070 C ILE A 138 -9.046 -2.051 9.470 1.00 0.57 C ATOM 2071 O ILE A 138 -8.651 -1.055 10.075 1.00 0.62 O ATOM 2072 CB ILE A 138 -8.580 -4.287 10.632 1.00 0.72 C ATOM 2073 CG1 ILE A 138 -9.223 -5.441 11.402 1.00 0.88 C ATOM 2074 CG2 ILE A 138 -7.434 -3.642 11.413 1.00 0.98 C ATOM 2075 CD1 ILE A 138 -9.880 -4.941 12.691 1.00 1.43 C ATOM 0 H ILE A 138 -10.412 -4.724 8.975 1.00 0.55 H new ATOM 0 HA ILE A 138 -10.030 -2.856 11.169 1.00 0.60 H new ATOM 0 HB ILE A 138 -8.152 -4.708 9.722 1.00 0.72 H new ATOM 0 HG12 ILE A 138 -9.969 -5.930 10.775 1.00 0.88 H new ATOM 0 HG13 ILE A 138 -8.467 -6.189 11.641 1.00 0.88 H new ATOM 0 HG21 ILE A 138 -6.704 -4.405 11.685 1.00 0.98 H new ATOM 0 HG22 ILE A 138 -6.953 -2.884 10.794 1.00 0.98 H new ATOM 0 HG23 ILE A 138 -7.826 -3.177 12.317 1.00 0.98 H new ATOM 0 HD11 ILE A 138 -10.330 -5.781 13.220 1.00 1.43 H new ATOM 0 HD12 ILE A 138 -9.127 -4.474 13.326 1.00 1.43 H new ATOM 0 HD13 ILE A 138 -10.652 -4.211 12.447 1.00 1.43 H new ATOM 2087 N VAL A 139 -9.013 -2.192 8.153 1.00 0.55 N ATOM 2088 CA VAL A 139 -8.523 -1.123 7.298 1.00 0.61 C ATOM 2089 C VAL A 139 -9.499 0.054 7.352 1.00 0.65 C ATOM 2090 O VAL A 139 -9.080 1.210 7.399 1.00 0.73 O ATOM 2091 CB VAL A 139 -8.298 -1.649 5.880 1.00 0.71 C ATOM 2092 CG1 VAL A 139 -7.843 -0.527 4.944 1.00 0.98 C ATOM 2093 CG2 VAL A 139 -7.296 -2.806 5.875 1.00 0.80 C ATOM 0 H VAL A 139 -9.317 -3.030 7.657 1.00 0.55 H new ATOM 0 HA VAL A 139 -7.558 -0.762 7.653 1.00 0.61 H new ATOM 0 HB VAL A 139 -9.250 -2.029 5.510 1.00 0.71 H new ATOM 0 HG11 VAL A 139 -7.690 -0.928 3.942 1.00 0.98 H new ATOM 0 HG12 VAL A 139 -8.606 0.251 4.911 1.00 0.98 H new ATOM 0 HG13 VAL A 139 -6.908 -0.103 5.311 1.00 0.98 H new ATOM 0 HG21 VAL A 139 -7.155 -3.161 4.854 1.00 0.80 H new ATOM 0 HG22 VAL A 139 -6.342 -2.463 6.275 1.00 0.80 H new ATOM 0 HG23 VAL A 139 -7.677 -3.620 6.492 1.00 0.80 H new ATOM 2103 N GLU A 140 -10.780 -0.280 7.344 1.00 0.66 N ATOM 2104 CA GLU A 140 -11.818 0.730 7.458 1.00 0.77 C ATOM 2105 C GLU A 140 -11.674 1.494 8.776 1.00 0.84 C ATOM 2106 O GLU A 140 -11.806 2.716 8.807 1.00 1.01 O ATOM 2107 CB GLU A 140 -13.210 0.105 7.336 1.00 0.80 C ATOM 2108 CG GLU A 140 -14.230 1.130 6.838 1.00 0.92 C ATOM 2109 CD GLU A 140 -14.190 1.248 5.313 1.00 2.62 C ATOM 2110 OE1 GLU A 140 -14.570 0.253 4.657 1.00 3.51 O ATOM 2111 OE2 GLU A 140 -13.781 2.328 4.837 1.00 3.94 O ATOM 0 H GLU A 140 -11.124 -1.237 7.260 1.00 0.66 H new ATOM 0 HA GLU A 140 -11.700 1.436 6.636 1.00 0.77 H new ATOM 0 HB2 GLU A 140 -13.174 -0.740 6.649 1.00 0.80 H new ATOM 0 HB3 GLU A 140 -13.524 -0.284 8.305 1.00 0.80 H new ATOM 0 HG2 GLU A 140 -15.230 0.838 7.157 1.00 0.92 H new ATOM 0 HG3 GLU A 140 -14.023 2.102 7.287 1.00 0.92 H new ATOM 2118 N ALA A 141 -11.406 0.741 9.833 1.00 0.79 N ATOM 2119 CA ALA A 141 -11.216 1.334 11.146 1.00 0.90 C ATOM 2120 C ALA A 141 -9.987 2.243 11.117 1.00 0.86 C ATOM 2121 O ALA A 141 -9.993 3.320 11.710 1.00 1.00 O ATOM 2122 CB ALA A 141 -11.099 0.226 12.194 1.00 0.96 C ATOM 0 H ALA A 141 -11.316 -0.275 9.807 1.00 0.79 H new ATOM 0 HA ALA A 141 -12.074 1.949 11.418 1.00 0.90 H new ATOM 0 HB1 ALA A 141 -10.956 0.670 13.179 1.00 0.96 H new ATOM 0 HB2 ALA A 141 -12.010 -0.372 12.194 1.00 0.96 H new ATOM 0 HB3 ALA A 141 -10.247 -0.411 11.957 1.00 0.96 H new ATOM 2128 N MET A 142 -8.960 1.776 10.420 1.00 0.78 N ATOM 2129 CA MET A 142 -7.723 2.529 10.315 1.00 0.87 C ATOM 2130 C MET A 142 -7.926 3.806 9.495 1.00 0.97 C ATOM 2131 O MET A 142 -7.241 4.804 9.714 1.00 1.16 O ATOM 2132 CB MET A 142 -6.652 1.662 9.650 1.00 0.98 C ATOM 2133 CG MET A 142 -5.295 2.370 9.649 1.00 1.37 C ATOM 2134 SD MET A 142 -3.983 1.172 9.484 1.00 1.56 S ATOM 2135 CE MET A 142 -4.034 0.898 7.721 1.00 1.41 C ATOM 0 H MET A 142 -8.961 0.885 9.923 1.00 0.78 H new ATOM 0 HA MET A 142 -7.405 2.810 11.319 1.00 0.87 H new ATOM 0 HB2 MET A 142 -6.570 0.711 10.177 1.00 0.98 H new ATOM 0 HB3 MET A 142 -6.948 1.434 8.626 1.00 0.98 H new ATOM 0 HG2 MET A 142 -5.250 3.087 8.829 1.00 1.37 H new ATOM 0 HG3 MET A 142 -5.169 2.935 10.573 1.00 1.37 H new ATOM 0 HE1 MET A 142 -3.272 0.169 7.444 1.00 1.41 H new ATOM 0 HE2 MET A 142 -5.017 0.520 7.440 1.00 1.41 H new ATOM 0 HE3 MET A 142 -3.844 1.837 7.201 1.00 1.41 H new ATOM 2145 N GLU A 143 -8.872 3.732 8.570 1.00 0.92 N ATOM 2146 CA GLU A 143 -9.209 4.884 7.751 1.00 1.02 C ATOM 2147 C GLU A 143 -9.982 5.914 8.577 1.00 1.07 C ATOM 2148 O GLU A 143 -9.688 7.108 8.519 1.00 1.22 O ATOM 2149 CB GLU A 143 -10.006 4.463 6.515 1.00 1.09 C ATOM 2150 CG GLU A 143 -9.497 5.181 5.264 1.00 2.06 C ATOM 2151 CD GLU A 143 -10.290 4.756 4.027 1.00 2.07 C ATOM 2152 OE1 GLU A 143 -9.975 3.669 3.496 1.00 2.96 O ATOM 2153 OE2 GLU A 143 -11.193 5.528 3.638 1.00 2.56 O ATOM 0 H GLU A 143 -9.415 2.892 8.370 1.00 0.92 H new ATOM 0 HA GLU A 143 -8.283 5.344 7.406 1.00 1.02 H new ATOM 0 HB2 GLU A 143 -9.927 3.385 6.377 1.00 1.09 H new ATOM 0 HB3 GLU A 143 -11.062 4.689 6.664 1.00 1.09 H new ATOM 0 HG2 GLU A 143 -9.579 6.259 5.400 1.00 2.06 H new ATOM 0 HG3 GLU A 143 -8.440 4.958 5.117 1.00 2.06 H new ATOM 2160 N ARG A 144 -10.953 5.417 9.328 1.00 1.11 N ATOM 2161 CA ARG A 144 -11.769 6.279 10.166 1.00 1.23 C ATOM 2162 C ARG A 144 -10.905 6.948 11.237 1.00 1.16 C ATOM 2163 O ARG A 144 -11.235 8.030 11.720 1.00 1.36 O ATOM 2164 CB ARG A 144 -12.889 5.488 10.844 1.00 1.45 C ATOM 2165 CG ARG A 144 -13.850 6.423 11.581 1.00 2.09 C ATOM 2166 CD ARG A 144 -14.522 7.395 10.611 1.00 3.87 C ATOM 2167 NE ARG A 144 -15.795 7.887 11.186 1.00 4.62 N ATOM 2168 CZ ARG A 144 -16.955 7.220 11.122 1.00 5.09 C ATOM 2169 NH1 ARG A 144 -16.986 5.976 10.625 1.00 4.96 N ATOM 2170 NH2 ARG A 144 -18.084 7.796 11.557 1.00 6.35 N ATOM 0 H ARG A 144 -11.194 4.427 9.374 1.00 1.11 H new ATOM 0 HA ARG A 144 -12.215 7.040 9.525 1.00 1.23 H new ATOM 0 HB2 ARG A 144 -13.436 4.913 10.097 1.00 1.45 H new ATOM 0 HB3 ARG A 144 -12.461 4.773 11.547 1.00 1.45 H new ATOM 0 HG2 ARG A 144 -14.609 5.836 12.097 1.00 2.09 H new ATOM 0 HG3 ARG A 144 -13.306 6.982 12.343 1.00 2.09 H new ATOM 0 HD2 ARG A 144 -13.858 8.235 10.406 1.00 3.87 H new ATOM 0 HD3 ARG A 144 -14.711 6.899 9.659 1.00 3.87 H new ATOM 0 HE ARG A 144 -15.788 8.790 11.660 1.00 4.62 H new ATOM 0 HH11 ARG A 144 -16.126 5.537 10.295 1.00 4.96 H new ATOM 0 HH12 ARG A 144 -17.869 5.468 10.576 1.00 4.96 H new ATOM 0 HH21 ARG A 144 -18.060 8.742 11.937 1.00 6.35 H new ATOM 0 HH22 ARG A 144 -18.967 7.288 11.508 1.00 6.35 H new ATOM 2184 N PHE A 145 -9.815 6.276 11.578 1.00 1.04 N ATOM 2185 CA PHE A 145 -8.937 6.760 12.630 1.00 1.11 C ATOM 2186 C PHE A 145 -8.012 7.862 12.108 1.00 1.07 C ATOM 2187 O PHE A 145 -7.262 8.463 12.876 1.00 1.27 O ATOM 2188 CB PHE A 145 -8.088 5.572 13.085 1.00 1.30 C ATOM 2189 CG PHE A 145 -8.744 4.720 14.175 1.00 1.57 C ATOM 2190 CD1 PHE A 145 -10.099 4.642 14.253 1.00 2.41 C ATOM 2191 CD2 PHE A 145 -7.971 4.042 15.065 1.00 2.46 C ATOM 2192 CE1 PHE A 145 -10.707 3.852 15.264 1.00 2.79 C ATOM 2193 CE2 PHE A 145 -8.580 3.251 16.075 1.00 2.72 C ATOM 2194 CZ PHE A 145 -9.935 3.174 16.154 1.00 2.39 C ATOM 0 H PHE A 145 -9.520 5.401 11.145 1.00 1.04 H new ATOM 0 HA PHE A 145 -9.528 7.175 13.447 1.00 1.11 H new ATOM 0 HB2 PHE A 145 -7.874 4.940 12.223 1.00 1.30 H new ATOM 0 HB3 PHE A 145 -7.131 5.942 13.454 1.00 1.30 H new ATOM 0 HD1 PHE A 145 -10.713 5.181 13.546 1.00 2.41 H new ATOM 0 HD2 PHE A 145 -6.895 4.105 15.004 1.00 2.46 H new ATOM 0 HE1 PHE A 145 -11.783 3.790 15.326 1.00 2.79 H new ATOM 0 HE2 PHE A 145 -7.967 2.710 16.781 1.00 2.72 H new ATOM 0 HZ PHE A 145 -10.398 2.574 16.924 1.00 2.39 H new ATOM 2204 N GLY A 146 -8.095 8.093 10.807 1.00 1.01 N ATOM 2205 CA GLY A 146 -7.290 9.126 10.176 1.00 1.08 C ATOM 2206 C GLY A 146 -7.925 10.505 10.365 1.00 1.24 C ATOM 2207 O GLY A 146 -8.512 10.785 11.409 1.00 1.83 O ATOM 0 H GLY A 146 -8.708 7.582 10.171 1.00 1.01 H new ATOM 0 HA2 GLY A 146 -6.287 9.122 10.602 1.00 1.08 H new ATOM 0 HA3 GLY A 146 -7.185 8.912 9.112 1.00 1.08 H new ATOM 2211 N SER A 147 -7.785 11.331 9.338 1.00 1.11 N ATOM 2212 CA SER A 147 -8.348 12.670 9.372 1.00 1.35 C ATOM 2213 C SER A 147 -8.792 13.088 7.969 1.00 1.28 C ATOM 2214 O SER A 147 -9.957 12.925 7.609 1.00 2.22 O ATOM 2215 CB SER A 147 -7.342 13.677 9.932 1.00 2.31 C ATOM 2216 OG SER A 147 -7.226 13.585 11.349 1.00 3.28 O ATOM 0 H SER A 147 -7.290 11.098 8.477 1.00 1.11 H new ATOM 0 HA SER A 147 -9.215 12.659 10.032 1.00 1.35 H new ATOM 0 HB2 SER A 147 -6.367 13.506 9.477 1.00 2.31 H new ATOM 0 HB3 SER A 147 -7.649 14.686 9.658 1.00 2.31 H new ATOM 0 HG SER A 147 -7.716 12.798 11.667 1.00 3.28 H new ATOM 2222 N ARG A 148 -7.839 13.617 7.215 1.00 2.23 N ATOM 2223 CA ARG A 148 -8.132 14.120 5.883 1.00 2.61 C ATOM 2224 C ARG A 148 -6.859 14.657 5.228 1.00 2.76 C ATOM 2225 O ARG A 148 -6.598 14.386 4.056 1.00 3.17 O ATOM 2226 CB ARG A 148 -9.181 15.233 5.933 1.00 2.98 C ATOM 2227 CG ARG A 148 -9.666 15.593 4.527 1.00 4.01 C ATOM 2228 CD ARG A 148 -11.154 15.951 4.537 1.00 4.63 C ATOM 2229 NE ARG A 148 -11.953 14.780 4.963 1.00 5.69 N ATOM 2230 CZ ARG A 148 -12.126 13.678 4.221 1.00 7.23 C ATOM 2231 NH1 ARG A 148 -11.675 13.641 2.960 1.00 7.85 N ATOM 2232 NH2 ARG A 148 -12.748 12.610 4.742 1.00 8.55 N ATOM 0 H ARG A 148 -6.864 13.708 7.501 1.00 2.23 H new ATOM 0 HA ARG A 148 -8.526 13.292 5.294 1.00 2.61 H new ATOM 0 HB2 ARG A 148 -10.026 14.914 6.543 1.00 2.98 H new ATOM 0 HB3 ARG A 148 -8.758 16.115 6.413 1.00 2.98 H new ATOM 0 HG2 ARG A 148 -9.088 16.434 4.143 1.00 4.01 H new ATOM 0 HG3 ARG A 148 -9.494 14.754 3.853 1.00 4.01 H new ATOM 0 HD2 ARG A 148 -11.331 16.788 5.213 1.00 4.63 H new ATOM 0 HD3 ARG A 148 -11.466 16.273 3.543 1.00 4.63 H new ATOM 0 HE ARG A 148 -12.400 14.814 5.879 1.00 5.69 H new ATOM 0 HH11 ARG A 148 -11.200 14.452 2.564 1.00 7.85 H new ATOM 0 HH12 ARG A 148 -11.807 12.802 2.396 1.00 7.85 H new ATOM 0 HH21 ARG A 148 -13.089 12.637 5.703 1.00 8.55 H new ATOM 0 HH22 ARG A 148 -12.880 11.771 4.177 1.00 8.55 H new ATOM 2246 N ASN A 149 -6.099 15.408 6.011 1.00 2.65 N ATOM 2247 CA ASN A 149 -4.872 16.007 5.512 1.00 3.03 C ATOM 2248 C ASN A 149 -3.872 14.901 5.173 1.00 2.92 C ATOM 2249 O ASN A 149 -2.944 15.116 4.394 1.00 3.41 O ATOM 2250 CB ASN A 149 -4.234 16.914 6.568 1.00 3.34 C ATOM 2251 CG ASN A 149 -3.855 16.118 7.818 1.00 3.23 C ATOM 2252 OD1 ASN A 149 -2.786 15.536 7.914 1.00 4.29 O ATOM 2253 ND2 ASN A 149 -4.786 16.124 8.766 1.00 2.71 N ATOM 0 H ASN A 149 -6.309 15.616 6.987 1.00 2.65 H new ATOM 0 HA ASN A 149 -5.118 16.598 4.630 1.00 3.03 H new ATOM 0 HB2 ASN A 149 -3.346 17.392 6.154 1.00 3.34 H new ATOM 0 HB3 ASN A 149 -4.929 17.710 6.836 1.00 3.34 H new ATOM 0 HD21 ASN A 149 -4.628 15.621 9.639 1.00 2.71 H new ATOM 0 HD22 ASN A 149 -5.659 16.632 8.621 1.00 2.71 H new ATOM 2260 N GLY A 150 -4.094 13.741 5.772 1.00 2.46 N ATOM 2261 CA GLY A 150 -3.267 12.581 5.489 1.00 2.61 C ATOM 2262 C GLY A 150 -2.764 11.936 6.782 1.00 2.18 C ATOM 2263 O GLY A 150 -2.731 10.712 6.898 1.00 2.95 O ATOM 0 H GLY A 150 -4.836 13.579 6.453 1.00 2.46 H new ATOM 0 HA2 GLY A 150 -3.840 11.853 4.915 1.00 2.61 H new ATOM 0 HA3 GLY A 150 -2.418 12.877 4.872 1.00 2.61 H new ATOM 2267 N LYS A 151 -2.385 12.789 7.723 1.00 2.08 N ATOM 2268 CA LYS A 151 -1.905 12.318 9.011 1.00 2.04 C ATOM 2269 C LYS A 151 -3.100 11.957 9.894 1.00 1.57 C ATOM 2270 O LYS A 151 -4.240 12.278 9.564 1.00 1.97 O ATOM 2271 CB LYS A 151 -0.962 13.347 9.639 1.00 2.58 C ATOM 2272 CG LYS A 151 0.294 13.533 8.787 1.00 3.07 C ATOM 2273 CD LYS A 151 1.126 14.716 9.287 1.00 3.70 C ATOM 2274 CE LYS A 151 1.775 14.400 10.634 1.00 3.76 C ATOM 2275 NZ LYS A 151 2.748 15.453 11.001 1.00 4.85 N ATOM 0 H LYS A 151 -2.401 13.804 7.619 1.00 2.08 H new ATOM 0 HA LYS A 151 -1.313 11.411 8.890 1.00 2.04 H new ATOM 0 HB2 LYS A 151 -1.478 14.301 9.745 1.00 2.58 H new ATOM 0 HB3 LYS A 151 -0.681 13.024 10.641 1.00 2.58 H new ATOM 0 HG2 LYS A 151 0.895 12.624 8.815 1.00 3.07 H new ATOM 0 HG3 LYS A 151 0.011 13.696 7.747 1.00 3.07 H new ATOM 0 HD2 LYS A 151 1.897 14.957 8.556 1.00 3.70 H new ATOM 0 HD3 LYS A 151 0.491 15.597 9.383 1.00 3.70 H new ATOM 0 HE2 LYS A 151 1.008 14.321 11.404 1.00 3.76 H new ATOM 0 HE3 LYS A 151 2.277 13.434 10.584 1.00 3.76 H new ATOM 0 HZ1 LYS A 151 3.179 15.222 11.919 1.00 4.85 H new ATOM 0 HZ2 LYS A 151 3.490 15.509 10.274 1.00 4.85 H new ATOM 0 HZ3 LYS A 151 2.260 16.369 11.068 1.00 4.85 H new ATOM 2289 N THR A 152 -2.797 11.294 11.001 1.00 1.74 N ATOM 2290 CA THR A 152 -3.830 10.902 11.944 1.00 1.54 C ATOM 2291 C THR A 152 -3.788 11.797 13.185 1.00 1.78 C ATOM 2292 O THR A 152 -2.965 12.708 13.271 1.00 2.32 O ATOM 2293 CB THR A 152 -3.643 9.417 12.260 1.00 1.58 C ATOM 2294 OG1 THR A 152 -2.717 9.407 13.343 1.00 2.46 O ATOM 2295 CG2 THR A 152 -2.917 8.668 11.141 1.00 1.56 C ATOM 0 H THR A 152 -1.851 11.019 11.265 1.00 1.74 H new ATOM 0 HA THR A 152 -4.825 11.036 11.519 1.00 1.54 H new ATOM 0 HB THR A 152 -4.616 8.957 12.433 1.00 1.58 H new ATOM 0 HG1 THR A 152 -2.539 8.482 13.613 1.00 2.46 H new ATOM 0 HG21 THR A 152 -2.810 7.619 11.415 1.00 1.56 H new ATOM 0 HG22 THR A 152 -3.493 8.745 10.219 1.00 1.56 H new ATOM 0 HG23 THR A 152 -1.930 9.106 10.991 1.00 1.56 H new ATOM 2303 N SER A 153 -4.686 11.507 14.115 1.00 1.75 N ATOM 2304 CA SER A 153 -4.698 12.209 15.387 1.00 2.22 C ATOM 2305 C SER A 153 -4.006 11.364 16.458 1.00 1.79 C ATOM 2306 O SER A 153 -4.183 11.602 17.653 1.00 2.27 O ATOM 2307 CB SER A 153 -6.128 12.544 15.818 1.00 2.94 C ATOM 2308 OG SER A 153 -6.811 13.322 14.839 1.00 3.93 O ATOM 0 H SER A 153 -5.410 10.796 14.013 1.00 1.75 H new ATOM 0 HA SER A 153 -4.155 13.146 15.265 1.00 2.22 H new ATOM 0 HB2 SER A 153 -6.679 11.621 15.996 1.00 2.94 H new ATOM 0 HB3 SER A 153 -6.104 13.088 16.762 1.00 2.94 H new ATOM 0 HG SER A 153 -7.720 13.514 15.150 1.00 3.93 H new ATOM 2314 N LYS A 154 -3.234 10.393 15.994 1.00 1.24 N ATOM 2315 CA LYS A 154 -2.543 9.488 16.896 1.00 1.09 C ATOM 2316 C LYS A 154 -1.356 8.855 16.168 1.00 1.11 C ATOM 2317 O LYS A 154 -0.806 9.446 15.240 1.00 1.51 O ATOM 2318 CB LYS A 154 -3.521 8.467 17.482 1.00 1.20 C ATOM 2319 CG LYS A 154 -4.100 7.571 16.385 1.00 2.80 C ATOM 2320 CD LYS A 154 -5.461 7.008 16.799 1.00 3.12 C ATOM 2321 CE LYS A 154 -6.547 8.083 16.720 1.00 4.10 C ATOM 2322 NZ LYS A 154 -7.323 7.946 15.467 1.00 6.07 N ATOM 0 H LYS A 154 -3.072 10.213 15.003 1.00 1.24 H new ATOM 0 HA LYS A 154 -2.139 10.035 17.748 1.00 1.09 H new ATOM 0 HB2 LYS A 154 -3.011 7.854 18.225 1.00 1.20 H new ATOM 0 HB3 LYS A 154 -4.329 8.986 17.997 1.00 1.20 H new ATOM 0 HG2 LYS A 154 -4.204 8.141 15.462 1.00 2.80 H new ATOM 0 HG3 LYS A 154 -3.411 6.752 16.178 1.00 2.80 H new ATOM 0 HD2 LYS A 154 -5.725 6.172 16.152 1.00 3.12 H new ATOM 0 HD3 LYS A 154 -5.403 6.618 17.815 1.00 3.12 H new ATOM 0 HE2 LYS A 154 -7.213 7.999 17.578 1.00 4.10 H new ATOM 0 HE3 LYS A 154 -6.092 9.072 16.766 1.00 4.10 H new ATOM 0 HZ1 LYS A 154 -8.191 8.515 15.532 1.00 6.07 H new ATOM 0 HZ2 LYS A 154 -6.750 8.279 14.666 1.00 6.07 H new ATOM 0 HZ3 LYS A 154 -7.574 6.947 15.322 1.00 6.07 H new ATOM 2336 N LYS A 155 -0.996 7.661 16.616 1.00 1.03 N ATOM 2337 CA LYS A 155 0.175 6.984 16.085 1.00 1.10 C ATOM 2338 C LYS A 155 -0.228 5.597 15.580 1.00 1.03 C ATOM 2339 O LYS A 155 -0.388 4.668 16.370 1.00 1.28 O ATOM 2340 CB LYS A 155 1.296 6.959 17.126 1.00 1.24 C ATOM 2341 CG LYS A 155 1.673 8.376 17.562 1.00 2.13 C ATOM 2342 CD LYS A 155 2.839 8.354 18.554 1.00 2.54 C ATOM 2343 CE LYS A 155 2.379 7.861 19.927 1.00 3.78 C ATOM 2344 NZ LYS A 155 3.453 8.044 20.928 1.00 4.58 N ATOM 0 H LYS A 155 -1.495 7.145 17.341 1.00 1.03 H new ATOM 0 HA LYS A 155 0.577 7.529 15.231 1.00 1.10 H new ATOM 0 HB2 LYS A 155 0.978 6.380 17.993 1.00 1.24 H new ATOM 0 HB3 LYS A 155 2.171 6.458 16.711 1.00 1.24 H new ATOM 0 HG2 LYS A 155 1.945 8.968 16.689 1.00 2.13 H new ATOM 0 HG3 LYS A 155 0.811 8.861 18.020 1.00 2.13 H new ATOM 0 HD2 LYS A 155 3.630 7.706 18.177 1.00 2.54 H new ATOM 0 HD3 LYS A 155 3.263 9.354 18.646 1.00 2.54 H new ATOM 0 HE2 LYS A 155 1.488 8.407 20.237 1.00 3.78 H new ATOM 0 HE3 LYS A 155 2.103 6.808 19.869 1.00 3.78 H new ATOM 0 HZ1 LYS A 155 3.125 7.705 21.855 1.00 4.58 H new ATOM 0 HZ2 LYS A 155 4.293 7.503 20.639 1.00 4.58 H new ATOM 0 HZ3 LYS A 155 3.697 9.053 20.995 1.00 4.58 H new ATOM 2358 N ILE A 156 -0.379 5.502 14.268 1.00 0.93 N ATOM 2359 CA ILE A 156 -0.737 4.238 13.645 1.00 0.92 C ATOM 2360 C ILE A 156 0.501 3.635 12.979 1.00 0.95 C ATOM 2361 O ILE A 156 1.051 4.214 12.043 1.00 1.23 O ATOM 2362 CB ILE A 156 -1.919 4.426 12.693 1.00 1.10 C ATOM 2363 CG1 ILE A 156 -3.067 5.167 13.382 1.00 1.54 C ATOM 2364 CG2 ILE A 156 -2.371 3.085 12.110 1.00 1.57 C ATOM 2365 CD1 ILE A 156 -4.297 5.237 12.475 1.00 1.56 C ATOM 0 H ILE A 156 -0.260 6.279 13.618 1.00 0.93 H new ATOM 0 HA ILE A 156 -1.074 3.524 14.396 1.00 0.92 H new ATOM 0 HB ILE A 156 -1.590 5.046 11.859 1.00 1.10 H new ATOM 0 HG12 ILE A 156 -3.325 4.661 14.312 1.00 1.54 H new ATOM 0 HG13 ILE A 156 -2.747 6.175 13.646 1.00 1.54 H new ATOM 0 HG21 ILE A 156 -3.213 3.246 11.436 1.00 1.57 H new ATOM 0 HG22 ILE A 156 -1.547 2.632 11.559 1.00 1.57 H new ATOM 0 HG23 ILE A 156 -2.676 2.421 12.919 1.00 1.57 H new ATOM 0 HD11 ILE A 156 -5.098 5.769 12.989 1.00 1.56 H new ATOM 0 HD12 ILE A 156 -4.042 5.765 11.556 1.00 1.56 H new ATOM 0 HD13 ILE A 156 -4.629 4.227 12.233 1.00 1.56 H new ATOM 2377 N THR A 157 0.903 2.479 13.486 1.00 0.84 N ATOM 2378 CA THR A 157 2.082 1.804 12.970 1.00 0.96 C ATOM 2379 C THR A 157 1.829 0.300 12.860 1.00 0.85 C ATOM 2380 O THR A 157 0.986 -0.246 13.570 1.00 0.83 O ATOM 2381 CB THR A 157 3.263 2.157 13.875 1.00 1.17 C ATOM 2382 OG1 THR A 157 3.013 1.427 15.073 1.00 1.30 O ATOM 2383 CG2 THR A 157 3.243 3.621 14.320 1.00 1.48 C ATOM 0 H THR A 157 0.433 1.992 14.249 1.00 0.84 H new ATOM 0 HA THR A 157 2.318 2.137 11.959 1.00 0.96 H new ATOM 0 HB THR A 157 4.196 1.950 13.351 1.00 1.17 H new ATOM 0 HG1 THR A 157 3.733 1.597 15.716 1.00 1.30 H new ATOM 0 HG21 THR A 157 4.103 3.818 14.960 1.00 1.48 H new ATOM 0 HG22 THR A 157 3.287 4.268 13.444 1.00 1.48 H new ATOM 0 HG23 THR A 157 2.325 3.821 14.873 1.00 1.48 H new ATOM 2391 N ILE A 158 2.574 -0.329 11.962 1.00 0.98 N ATOM 2392 CA ILE A 158 2.510 -1.773 11.815 1.00 1.00 C ATOM 2393 C ILE A 158 3.510 -2.424 12.775 1.00 0.78 C ATOM 2394 O ILE A 158 4.687 -2.066 12.786 1.00 0.82 O ATOM 2395 CB ILE A 158 2.713 -2.173 10.353 1.00 1.37 C ATOM 2396 CG1 ILE A 158 1.561 -1.668 9.482 1.00 1.80 C ATOM 2397 CG2 ILE A 158 2.912 -3.684 10.220 1.00 1.45 C ATOM 2398 CD1 ILE A 158 1.760 -2.073 8.020 1.00 2.17 C ATOM 0 H ILE A 158 3.225 0.136 11.329 1.00 0.98 H new ATOM 0 HA ILE A 158 1.520 -2.140 12.087 1.00 1.00 H new ATOM 0 HB ILE A 158 3.624 -1.696 9.992 1.00 1.37 H new ATOM 0 HG12 ILE A 158 0.618 -2.072 9.850 1.00 1.80 H new ATOM 0 HG13 ILE A 158 1.493 -0.583 9.556 1.00 1.80 H new ATOM 0 HG21 ILE A 158 3.054 -3.941 9.170 1.00 1.45 H new ATOM 0 HG22 ILE A 158 3.790 -3.987 10.790 1.00 1.45 H new ATOM 0 HG23 ILE A 158 2.034 -4.202 10.605 1.00 1.45 H new ATOM 0 HD11 ILE A 158 0.927 -1.702 7.423 1.00 2.17 H new ATOM 0 HD12 ILE A 158 2.692 -1.647 7.648 1.00 2.17 H new ATOM 0 HD13 ILE A 158 1.803 -3.160 7.946 1.00 2.17 H new ATOM 2410 N ALA A 159 3.004 -3.367 13.557 1.00 0.82 N ATOM 2411 CA ALA A 159 3.811 -3.998 14.585 1.00 0.87 C ATOM 2412 C ALA A 159 4.868 -4.887 13.924 1.00 0.86 C ATOM 2413 O ALA A 159 6.059 -4.750 14.200 1.00 0.99 O ATOM 2414 CB ALA A 159 2.905 -4.782 15.537 1.00 1.07 C ATOM 0 H ALA A 159 2.045 -3.709 13.498 1.00 0.82 H new ATOM 0 HA ALA A 159 4.334 -3.246 15.176 1.00 0.87 H new ATOM 0 HB1 ALA A 159 3.511 -5.256 16.309 1.00 1.07 H new ATOM 0 HB2 ALA A 159 2.191 -4.102 16.003 1.00 1.07 H new ATOM 0 HB3 ALA A 159 2.366 -5.547 14.979 1.00 1.07 H new ATOM 2420 N ASP A 160 4.393 -5.775 13.063 1.00 0.81 N ATOM 2421 CA ASP A 160 5.267 -6.760 12.448 1.00 0.85 C ATOM 2422 C ASP A 160 4.767 -7.066 11.034 1.00 0.84 C ATOM 2423 O ASP A 160 3.699 -6.605 10.636 1.00 0.89 O ATOM 2424 CB ASP A 160 5.265 -8.069 13.242 1.00 0.84 C ATOM 2425 CG ASP A 160 5.929 -7.990 14.618 1.00 1.98 C ATOM 2426 OD1 ASP A 160 5.217 -7.605 15.570 1.00 2.73 O ATOM 2427 OD2 ASP A 160 7.134 -8.317 14.687 1.00 3.21 O ATOM 0 H ASP A 160 3.416 -5.833 12.777 1.00 0.81 H new ATOM 0 HA ASP A 160 6.277 -6.350 12.428 1.00 0.85 H new ATOM 0 HB2 ASP A 160 4.234 -8.397 13.371 1.00 0.84 H new ATOM 0 HB3 ASP A 160 5.772 -8.834 12.654 1.00 0.84 H new ATOM 2432 N CYS A 161 5.565 -7.841 10.313 1.00 0.92 N ATOM 2433 CA CYS A 161 5.218 -8.211 8.952 1.00 0.96 C ATOM 2434 C CYS A 161 5.739 -9.626 8.693 1.00 0.91 C ATOM 2435 O CYS A 161 6.674 -10.078 9.352 1.00 1.05 O ATOM 2436 CB CYS A 161 5.763 -7.207 7.935 1.00 1.34 C ATOM 2437 SG CYS A 161 7.525 -6.857 8.284 1.00 2.67 S ATOM 0 H CYS A 161 6.450 -8.222 10.646 1.00 0.92 H new ATOM 0 HA CYS A 161 4.135 -8.195 8.833 1.00 0.96 H new ATOM 0 HB2 CYS A 161 5.656 -7.604 6.926 1.00 1.34 H new ATOM 0 HB3 CYS A 161 5.185 -6.284 7.977 1.00 1.34 H new ATOM 0 HG CYS A 161 7.979 -6.005 7.413 1.00 2.67 H new ATOM 2443 N GLY A 162 5.112 -10.287 7.731 1.00 0.90 N ATOM 2444 CA GLY A 162 5.536 -11.620 7.338 1.00 1.10 C ATOM 2445 C GLY A 162 4.817 -12.071 6.066 1.00 0.85 C ATOM 2446 O GLY A 162 4.095 -11.292 5.446 1.00 1.25 O ATOM 0 H GLY A 162 4.313 -9.924 7.212 1.00 0.90 H new ATOM 0 HA2 GLY A 162 6.613 -11.629 7.174 1.00 1.10 H new ATOM 0 HA3 GLY A 162 5.331 -12.323 8.145 1.00 1.10 H new ATOM 2450 N GLN A 163 5.038 -13.330 5.714 1.00 1.00 N ATOM 2451 CA GLN A 163 4.472 -13.877 4.493 1.00 0.86 C ATOM 2452 C GLN A 163 3.954 -15.296 4.737 1.00 0.85 C ATOM 2453 O GLN A 163 4.583 -16.076 5.450 1.00 1.01 O ATOM 2454 CB GLN A 163 5.494 -13.854 3.356 1.00 1.03 C ATOM 2455 CG GLN A 163 4.883 -14.385 2.057 1.00 1.56 C ATOM 2456 CD GLN A 163 5.810 -14.126 0.868 1.00 2.06 C ATOM 2457 OE1 GLN A 163 5.537 -13.315 -0.001 1.00 3.07 O ATOM 2458 NE2 GLN A 163 6.920 -14.860 0.877 1.00 2.38 N ATOM 0 H GLN A 163 5.602 -13.987 6.254 1.00 1.00 H new ATOM 0 HA GLN A 163 3.631 -13.251 4.194 1.00 0.86 H new ATOM 0 HB2 GLN A 163 5.851 -12.835 3.204 1.00 1.03 H new ATOM 0 HB3 GLN A 163 6.360 -14.458 3.628 1.00 1.03 H new ATOM 0 HG2 GLN A 163 4.696 -15.455 2.150 1.00 1.56 H new ATOM 0 HG3 GLN A 163 3.919 -13.907 1.882 1.00 1.56 H new ATOM 0 HE21 GLN A 163 7.088 -15.521 1.635 1.00 2.38 H new ATOM 0 HE22 GLN A 163 7.603 -14.761 0.126 1.00 2.38 H new ATOM 2467 N LEU A 164 2.814 -15.588 4.130 1.00 0.86 N ATOM 2468 CA LEU A 164 2.198 -16.896 4.281 1.00 0.99 C ATOM 2469 C LEU A 164 2.486 -17.737 3.037 1.00 1.16 C ATOM 2470 O LEU A 164 1.563 -18.175 2.352 1.00 1.54 O ATOM 2471 CB LEU A 164 0.708 -16.753 4.597 1.00 0.96 C ATOM 2472 CG LEU A 164 0.349 -15.769 5.712 1.00 0.87 C ATOM 2473 CD1 LEU A 164 -1.161 -15.531 5.768 1.00 1.05 C ATOM 2474 CD2 LEU A 164 0.907 -16.237 7.057 1.00 1.10 C ATOM 0 H LEU A 164 2.300 -14.941 3.532 1.00 0.86 H new ATOM 0 HA LEU A 164 2.630 -17.425 5.130 1.00 0.99 H new ATOM 0 HB2 LEU A 164 0.192 -16.444 3.688 1.00 0.96 H new ATOM 0 HB3 LEU A 164 0.319 -17.735 4.867 1.00 0.96 H new ATOM 0 HG LEU A 164 0.817 -14.811 5.486 1.00 0.87 H new ATOM 0 HD11 LEU A 164 -1.389 -14.828 6.569 1.00 1.05 H new ATOM 0 HD12 LEU A 164 -1.500 -15.120 4.817 1.00 1.05 H new ATOM 0 HD13 LEU A 164 -1.671 -16.475 5.958 1.00 1.05 H new ATOM 0 HD21 LEU A 164 0.638 -15.520 7.832 1.00 1.10 H new ATOM 0 HD22 LEU A 164 0.489 -17.213 7.305 1.00 1.10 H new ATOM 0 HD23 LEU A 164 1.993 -16.313 6.994 1.00 1.10 H new ATOM 2486 N GLU A 165 3.771 -17.938 2.781 1.00 1.65 N ATOM 2487 CA GLU A 165 4.192 -18.712 1.626 1.00 2.02 C ATOM 2488 C GLU A 165 4.649 -20.106 2.058 1.00 2.82 C ATOM 2489 O GLU A 165 5.600 -20.240 2.827 1.00 3.99 O ATOM 2490 CB GLU A 165 5.296 -17.987 0.853 1.00 3.17 C ATOM 2491 CG GLU A 165 5.643 -18.733 -0.437 1.00 4.40 C ATOM 2492 CD GLU A 165 6.585 -17.906 -1.312 1.00 5.69 C ATOM 2493 OE1 GLU A 165 6.074 -16.983 -1.982 1.00 6.76 O ATOM 2494 OE2 GLU A 165 7.797 -18.215 -1.293 1.00 6.18 O ATOM 0 H GLU A 165 4.534 -17.578 3.354 1.00 1.65 H new ATOM 0 HA GLU A 165 3.339 -18.823 0.957 1.00 2.02 H new ATOM 0 HB2 GLU A 165 4.973 -16.973 0.615 1.00 3.17 H new ATOM 0 HB3 GLU A 165 6.185 -17.900 1.477 1.00 3.17 H new ATOM 0 HG2 GLU A 165 6.110 -19.688 -0.195 1.00 4.40 H new ATOM 0 HG3 GLU A 165 4.730 -18.956 -0.989 1.00 4.40 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -6.782 17.849 -4.613 1.00 1.24 N HETATM 2503 CA DAL B 201 -7.687 16.790 -5.026 1.00 1.08 C HETATM 2504 CB DAL B 201 -9.134 17.265 -4.874 1.00 1.10 C HETATM 2505 C DAL B 201 -7.398 15.530 -4.208 1.00 0.93 C HETATM 2506 O DAL B 201 -6.829 15.608 -3.121 1.00 0.94 O HETATM 0 HB3 DAL B 201 -9.326 17.520 -3.832 1.00 1.10 H new HETATM 0 HB2 DAL B 201 -9.296 18.144 -5.498 1.00 1.10 H new HETATM 0 HB1 DAL B 201 -9.812 16.470 -5.184 1.00 1.10 H new HETATM 0 HA DAL B 201 -7.534 16.543 -6.077 1.00 1.08 H new HETATM 0 H DAL B 201 -7.155 18.740 -4.286 1.00 1.24 H new HETATM 2512 N MLE B 202 -7.803 14.398 -4.763 1.00 0.84 N HETATM 2513 CN MLE B 202 -8.608 14.293 -6.381 1.00 0.89 C HETATM 2514 CA MLE B 202 -7.621 13.125 -4.084 1.00 0.77 C HETATM 2515 CB MLE B 202 -8.977 12.516 -3.718 1.00 0.75 C HETATM 2516 CG MLE B 202 -9.622 13.039 -2.433 1.00 1.21 C HETATM 2517 CD1 MLE B 202 -8.663 12.915 -1.247 1.00 3.03 C HETATM 2518 CD2 MLE B 202 -10.123 14.473 -2.617 1.00 1.07 C HETATM 2519 C MLE B 202 -6.750 12.211 -4.948 1.00 0.77 C HETATM 2520 O MLE B 202 -7.240 11.239 -5.521 1.00 0.73 O HETATM 0 HD23 MLE B 202 -9.285 15.121 -2.877 1.00 1.07 H new HETATM 0 HD22 MLE B 202 -10.864 14.500 -3.416 1.00 1.07 H new HETATM 0 HD21 MLE B 202 -10.577 14.822 -1.689 1.00 1.07 H new HETATM 0 HD13 MLE B 202 -8.397 11.868 -1.102 1.00 3.03 H new HETATM 0 HD12 MLE B 202 -7.762 13.495 -1.446 1.00 3.03 H new HETATM 0 HD11 MLE B 202 -9.147 13.294 -0.347 1.00 3.03 H new HETATM 0 HN3 MLE B 202 -8.011 13.668 -7.045 1.00 0.89 H new HETATM 0 HN2 MLE B 202 -9.600 13.856 -6.266 1.00 0.89 H new HETATM 0 HN1 MLE B 202 -8.699 15.292 -6.808 1.00 0.89 H new HETATM 0 HG MLE B 202 -10.491 12.419 -2.210 1.00 1.21 H new HETATM 0 HB3 MLE B 202 -9.666 12.691 -4.544 1.00 0.75 H new HETATM 0 HB2 MLE B 202 -8.856 11.437 -3.627 1.00 0.75 H new HETATM 0 HA MLE B 202 -7.095 13.268 -3.140 1.00 0.77 H new HETATM 2531 N MLE B 203 -5.472 12.556 -5.015 1.00 0.84 N HETATM 2532 CN MLE B 203 -4.768 13.998 -4.179 1.00 0.98 C HETATM 2533 CA MLE B 203 -4.526 11.773 -5.790 1.00 0.85 C HETATM 2534 CB MLE B 203 -3.782 12.663 -6.788 1.00 0.89 C HETATM 2535 CG MLE B 203 -4.633 13.697 -7.527 1.00 0.90 C HETATM 2536 CD1 MLE B 203 -3.801 14.446 -8.570 1.00 0.96 C HETATM 2537 CD2 MLE B 203 -5.874 13.047 -8.142 1.00 0.83 C HETATM 2538 C MLE B 203 -3.601 11.010 -4.838 1.00 0.89 C HETATM 2539 O MLE B 203 -3.302 11.486 -3.744 1.00 0.96 O HETATM 0 HD23 MLE B 203 -5.568 12.276 -8.850 1.00 0.83 H new HETATM 0 HD22 MLE B 203 -6.478 12.597 -7.354 1.00 0.83 H new HETATM 0 HD21 MLE B 203 -6.462 13.804 -8.661 1.00 0.83 H new HETATM 0 HD13 MLE B 203 -2.976 14.960 -8.077 1.00 0.96 H new HETATM 0 HD12 MLE B 203 -3.404 13.737 -9.296 1.00 0.96 H new HETATM 0 HD11 MLE B 203 -4.429 15.175 -9.081 1.00 0.96 H new HETATM 0 HN3 MLE B 203 -3.991 13.674 -3.487 1.00 0.98 H new HETATM 0 HN2 MLE B 203 -4.337 14.673 -4.919 1.00 0.98 H new HETATM 0 HN1 MLE B 203 -5.552 14.517 -3.627 1.00 0.98 H new HETATM 0 HG MLE B 203 -4.981 14.434 -6.803 1.00 0.90 H new HETATM 0 HB3 MLE B 203 -2.989 13.188 -6.256 1.00 0.89 H new HETATM 0 HB2 MLE B 203 -3.300 12.023 -7.527 1.00 0.89 H new HETATM 0 HA MLE B 203 -5.050 11.030 -6.391 1.00 0.85 H new HETATM 2550 N MVA B 204 -3.175 9.840 -5.289 1.00 0.91 N HETATM 2551 CN MVA B 204 -3.621 9.153 -6.903 1.00 1.00 C HETATM 2552 CA MVA B 204 -2.292 9.007 -4.491 1.00 0.96 C HETATM 2553 CB MVA B 204 -3.014 7.720 -4.084 1.00 1.04 C HETATM 2554 CG1 MVA B 204 -2.332 7.067 -2.880 1.00 1.25 C HETATM 2555 CG2 MVA B 204 -4.493 7.987 -3.800 1.00 0.89 C HETATM 2556 C MVA B 204 -1.000 8.748 -5.268 1.00 1.00 C HETATM 2557 O MVA B 204 -0.901 7.769 -6.006 1.00 0.98 O HETATM 0 HG23 MVA B 204 -4.583 8.709 -2.989 1.00 0.89 H new HETATM 0 HG22 MVA B 204 -4.969 8.386 -4.696 1.00 0.89 H new HETATM 0 HG21 MVA B 204 -4.982 7.056 -3.513 1.00 0.89 H new HETATM 0 HG13 MVA B 204 -1.300 6.824 -3.134 1.00 1.25 H new HETATM 0 HG12 MVA B 204 -2.345 7.757 -2.036 1.00 1.25 H new HETATM 0 HG11 MVA B 204 -2.864 6.155 -2.611 1.00 1.25 H new HETATM 0 HN3 MVA B 204 -2.719 8.998 -7.495 1.00 1.00 H new HETATM 0 HN2 MVA B 204 -4.132 8.200 -6.764 1.00 1.00 H new HETATM 0 HN1 MVA B 204 -4.282 9.846 -7.424 1.00 1.00 H new HETATM 0 HB MVA B 204 -2.955 7.023 -4.920 1.00 1.04 H new HETATM 0 HA MVA B 204 -2.018 9.517 -3.567 1.00 0.96 H new HETATM 2566 N BMT B 205 -0.147 9.815 -5.351 1.00 0.99 N HETATM 2567 CN BMT B 205 -0.053 10.979 -3.967 1.00 1.16 C HETATM 2568 CA BMT B 205 1.084 9.665 -6.110 1.00 1.05 C HETATM 2569 C BMT B 205 2.265 9.423 -5.169 1.00 1.23 C HETATM 2570 O BMT B 205 2.075 9.081 -4.004 1.00 1.35 O HETATM 2571 CB BMT B 205 1.251 10.905 -6.991 1.00 1.05 C HETATM 2572 OG1 BMT B 205 1.793 11.885 -6.110 1.00 1.31 O HETATM 2573 CG2 BMT B 205 -0.090 11.498 -7.428 1.00 0.98 C HETATM 2574 CD1 BMT B 205 -0.861 10.495 -8.289 1.00 1.21 C HETATM 2575 CD2 BMT B 205 -0.017 12.843 -8.012 1.00 1.28 C HETATM 2576 CE BMT B 205 1.296 13.331 -8.395 1.00 1.18 C HETATM 2577 CZ BMT B 205 1.850 13.450 -9.535 1.00 1.30 C HETATM 2578 CH BMT B 205 3.241 13.897 -9.910 1.00 1.33 C HETATM 0 HD23 BMT B 205 -0.655 12.863 -8.895 1.00 1.28 H new HETATM 0 HD22 BMT B 205 -0.443 13.546 -7.296 1.00 1.28 H new HETATM 0 HD13 BMT B 205 -0.275 10.250 -9.175 1.00 1.21 H new HETATM 0 HD12 BMT B 205 -1.045 9.588 -7.714 1.00 1.21 H new HETATM 0 HD11 BMT B 205 -1.813 10.932 -8.592 1.00 1.21 H new HETATM 0 HZ BMT B 205 1.214 13.185 -10.380 1.00 1.30 H new HETATM 0 HN3 BMT B 205 0.710 10.646 -3.263 1.00 1.16 H new HETATM 0 HN2 BMT B 205 0.206 11.969 -4.341 1.00 1.16 H new HETATM 0 HN1 BMT B 205 -1.018 11.023 -3.462 1.00 1.16 H new HETATM 0 HH3 BMT B 205 3.405 14.914 -9.554 1.00 1.33 H new HETATM 0 HH2 BMT B 205 3.973 13.231 -9.454 1.00 1.33 H new HETATM 0 HH1 BMT B 205 3.352 13.870 -10.994 1.00 1.33 H new HETATM 0 HG2 BMT B 205 -0.661 11.670 -6.516 1.00 0.98 H new HETATM 0 HG1 BMT B 205 1.126 12.585 -5.950 1.00 1.31 H new HETATM 0 HE BMT B 205 1.917 13.652 -7.559 1.00 1.18 H new HETATM 0 HB BMT B 205 1.838 10.648 -7.872 1.00 1.05 H new HETATM 0 HA BMT B 205 1.044 8.791 -6.760 1.00 1.05 H new HETATM 2593 N ABA B 206 3.459 9.611 -5.711 1.00 1.32 N HETATM 2594 CA ABA B 206 4.672 9.252 -4.995 1.00 1.59 C HETATM 2595 C ABA B 206 5.769 10.288 -5.251 1.00 1.68 C HETATM 2596 O ABA B 206 6.671 10.055 -6.053 1.00 1.81 O HETATM 2597 CB ABA B 206 5.065 7.834 -5.411 1.00 1.75 C HETATM 2598 CG ABA B 206 4.014 6.795 -5.019 1.00 1.58 C HETATM 0 HG3 ABA B 206 3.067 7.035 -5.502 1.00 1.58 H new HETATM 0 HG2 ABA B 206 3.881 6.802 -3.937 1.00 1.58 H new HETATM 0 HG1 ABA B 206 4.343 5.806 -5.338 1.00 1.58 H new HETATM 0 HB3 ABA B 206 6.018 7.574 -4.949 1.00 1.75 H new HETATM 0 HB2 ABA B 206 5.215 7.804 -6.490 1.00 1.75 H new HETATM 0 HA ABA B 206 4.511 9.256 -3.917 1.00 1.59 H new HETATM 0 H ABA B 206 3.435 10.456 -6.282 1.00 1.32 H new HETATM 2606 N SAR B 207 5.654 11.408 -4.552 1.00 1.68 N HETATM 2607 CA SAR B 207 6.653 12.506 -4.694 1.00 1.80 C HETATM 2608 C SAR B 207 6.228 13.966 -4.468 1.00 1.81 C HETATM 2609 O SAR B 207 6.800 14.796 -3.778 1.00 1.93 O HETATM 2610 CN SAR B 207 4.210 11.524 -3.414 1.00 1.64 C HETATM 0 HN3 SAR B 207 4.563 11.658 -2.391 1.00 1.64 H new HETATM 0 HN2 SAR B 207 3.590 12.374 -3.699 1.00 1.64 H new HETATM 0 HN1 SAR B 207 3.622 10.608 -3.478 1.00 1.64 H new HETATM 0 HA3 SAR B 207 7.468 12.295 -4.001 1.00 1.80 H new HETATM 0 HA2 SAR B 207 7.066 12.441 -5.701 1.00 1.80 H new HETATM 2613 N MLE B 208 5.121 14.332 -5.099 1.00 1.68 N HETATM 2614 CN MLE B 208 4.080 13.558 -6.360 1.00 1.55 C HETATM 2615 CA MLE B 208 4.679 15.643 -4.657 1.00 1.72 C HETATM 2616 CB MLE B 208 5.420 16.744 -5.418 1.00 1.75 C HETATM 2617 CG MLE B 208 4.720 18.103 -5.483 1.00 1.67 C HETATM 2618 CD1 MLE B 208 4.542 18.695 -4.083 1.00 3.11 C HETATM 2619 CD2 MLE B 208 5.461 19.059 -6.419 1.00 2.45 C HETATM 2620 C MLE B 208 3.155 15.729 -4.777 1.00 1.61 C HETATM 2621 O MLE B 208 2.628 15.969 -5.862 1.00 1.76 O HETATM 0 HD23 MLE B 208 6.478 19.208 -6.056 1.00 2.45 H new HETATM 0 HD22 MLE B 208 5.492 18.635 -7.422 1.00 2.45 H new HETATM 0 HD21 MLE B 208 4.942 20.017 -6.446 1.00 2.45 H new HETATM 0 HD13 MLE B 208 3.939 18.020 -3.476 1.00 3.11 H new HETATM 0 HD12 MLE B 208 5.518 18.827 -3.617 1.00 3.11 H new HETATM 0 HD11 MLE B 208 4.042 19.661 -4.157 1.00 3.11 H new HETATM 0 HN3 MLE B 208 3.070 13.431 -5.970 1.00 1.55 H new HETATM 0 HN2 MLE B 208 4.050 14.192 -7.246 1.00 1.55 H new HETATM 0 HN1 MLE B 208 4.492 12.584 -6.624 1.00 1.55 H new HETATM 0 HG MLE B 208 3.724 17.954 -5.900 1.00 1.67 H new HETATM 0 HB3 MLE B 208 6.397 16.883 -4.956 1.00 1.75 H new HETATM 0 HB2 MLE B 208 5.595 16.399 -6.437 1.00 1.75 H new HETATM 0 HA MLE B 208 4.926 15.794 -3.606 1.00 1.72 H new ATOM 2632 N VAL B 209 2.492 15.531 -3.647 1.00 1.49 N ATOM 2633 CA VAL B 209 1.041 15.454 -3.635 1.00 1.37 C ATOM 2634 C VAL B 209 0.460 16.816 -4.020 1.00 1.46 C ATOM 2635 O VAL B 209 0.966 17.853 -3.596 1.00 1.66 O ATOM 2636 CB VAL B 209 0.555 14.960 -2.271 1.00 1.38 C ATOM 2637 CG1 VAL B 209 -0.966 14.799 -2.257 1.00 1.31 C ATOM 2638 CG2 VAL B 209 1.249 13.653 -1.882 1.00 1.39 C ATOM 0 H VAL B 209 2.933 15.422 -2.734 1.00 1.49 H new ATOM 0 HA VAL B 209 0.690 14.731 -4.371 1.00 1.37 H new ATOM 0 HB VAL B 209 0.819 15.713 -1.528 1.00 1.38 H new ATOM 0 HG11 VAL B 209 -1.286 14.447 -1.276 1.00 1.31 H new ATOM 0 HG12 VAL B 209 -1.436 15.760 -2.468 1.00 1.31 H new ATOM 0 HG13 VAL B 209 -1.262 14.076 -3.017 1.00 1.31 H new ATOM 0 HG21 VAL B 209 0.886 13.324 -0.909 1.00 1.39 H new ATOM 0 HG22 VAL B 209 1.031 12.889 -2.628 1.00 1.39 H new ATOM 0 HG23 VAL B 209 2.326 13.814 -1.832 1.00 1.39 H new HETATM 2648 N MLE B 210 -0.595 16.768 -4.820 1.00 1.37 N HETATM 2649 CN MLE B 210 -1.331 15.232 -5.434 1.00 1.25 C HETATM 2650 CA MLE B 210 -1.250 17.985 -5.269 1.00 1.49 C HETATM 2651 CB MLE B 210 -1.214 18.080 -6.796 1.00 1.60 C HETATM 2652 CG MLE B 210 0.069 17.590 -7.469 1.00 1.74 C HETATM 2653 CD1 MLE B 210 -0.140 17.392 -8.971 1.00 1.89 C HETATM 2654 CD2 MLE B 210 1.238 18.533 -7.172 1.00 1.96 C HETATM 2655 C MLE B 210 -2.661 18.046 -4.682 1.00 1.42 C HETATM 2656 O MLE B 210 -3.029 17.217 -3.852 1.00 1.31 O HETATM 0 HD23 MLE B 210 1.006 19.530 -7.547 1.00 1.96 H new HETATM 0 HD22 MLE B 210 1.404 18.579 -6.096 1.00 1.96 H new HETATM 0 HD21 MLE B 210 2.138 18.162 -7.662 1.00 1.96 H new HETATM 0 HD13 MLE B 210 -0.924 16.653 -9.135 1.00 1.89 H new HETATM 0 HD12 MLE B 210 -0.433 18.338 -9.425 1.00 1.89 H new HETATM 0 HD11 MLE B 210 0.788 17.043 -9.425 1.00 1.89 H new HETATM 0 HN3 MLE B 210 -2.368 15.168 -5.104 1.00 1.25 H new HETATM 0 HN2 MLE B 210 -1.296 15.222 -6.523 1.00 1.25 H new HETATM 0 HN1 MLE B 210 -0.773 14.380 -5.045 1.00 1.25 H new HETATM 0 HG MLE B 210 0.325 16.617 -7.049 1.00 1.74 H new HETATM 0 HB3 MLE B 210 -2.051 17.508 -7.195 1.00 1.60 H new HETATM 0 HB2 MLE B 210 -1.375 19.120 -7.079 1.00 1.60 H new HETATM 0 HA MLE B 210 -0.715 18.862 -4.905 1.00 1.49 H new ATOM 2667 N ALA B 211 -3.414 19.037 -5.136 1.00 1.54 N ATOM 2668 CA ALA B 211 -4.787 19.200 -4.690 1.00 1.52 C ATOM 2669 C ALA B 211 -5.638 18.057 -5.248 1.00 1.34 C ATOM 2670 O ALA B 211 -5.251 17.405 -6.217 1.00 1.37 O ATOM 2671 CB ALA B 211 -5.305 20.575 -5.117 1.00 1.72 C ATOM 0 H ALA B 211 -3.099 19.736 -5.809 1.00 1.54 H new ATOM 0 HA ALA B 211 -4.845 19.155 -3.602 1.00 1.52 H new ATOM 0 HB1 ALA B 211 -6.335 20.696 -4.782 1.00 1.72 H new ATOM 0 HB2 ALA B 211 -4.685 21.352 -4.671 1.00 1.72 H new ATOM 0 HB3 ALA B 211 -5.265 20.658 -6.203 1.00 1.72 H new TER 2677 ALA B 211