USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.9!) USER MOD Set 1.2: A 98 TYR OH : rot -51:sc= 0.0561 USER MOD Set 2.1: A 73 LYS NZ :NH3+ -136:sc= -0.335 (180deg=0) USER MOD Set 2.2: A 92 ASN : amide:sc= -0.363 K(o=-0.7,f=-0.014) USER MOD Set 3.1: A 45 CYS SG : rot -83:sc= -3.08! USER MOD Set 3.2: A 67 GLN : amide:sc= -0.731 K(o=-3.8,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0058 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.176 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.0038) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0817 X(o=-0.082,f=-0.078) USER MOD Single : A 28 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.81) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00604 USER MOD Single : A 42 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.4!) USER MOD Single : A 44 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.1) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.831 USER MOD Single : A 50 MET CE :methyl -131:sc= 0 (180deg=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0.0297 K(o=0.03,f=-1.2!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.276 K(o=-0.28,f=-1) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 70:sc= 0.431 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.123 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.12 K(o=-3.1,f=-4.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 33:sc= 0.615 USER MOD Single : A 88 CYS SG : rot -65:sc= -3.78! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 103 ASN : amide:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.0673 X(o=-0.067,f=-0.088) USER MOD Single : A 117 GLN : amide:sc= -3.81! C(o=-3.8!,f=-7.4!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.143 -18.946 9.607 1.00 0.00 N ATOM 2 CA GLY A 1 1.045 -19.320 11.008 1.00 0.00 C ATOM 3 C GLY A 1 -0.284 -20.020 11.297 1.00 0.00 C ATOM 4 O GLY A 1 -0.489 -21.164 10.892 1.00 0.00 O ATOM 0 H1 GLY A 1 2.053 -18.473 9.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.080 -19.799 9.015 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.366 -18.298 9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.872 -19.980 11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.135 -18.431 11.633 1.00 0.00 H new ATOM 8 N SER A 2 -1.154 -19.305 11.995 1.00 0.00 N ATOM 9 CA SER A 2 -2.458 -19.843 12.343 1.00 0.00 C ATOM 10 C SER A 2 -3.562 -18.959 11.760 1.00 0.00 C ATOM 11 O SER A 2 -4.392 -19.427 10.984 1.00 0.00 O ATOM 12 CB SER A 2 -2.618 -19.961 13.860 1.00 0.00 C ATOM 13 OG SER A 2 -2.263 -18.755 14.530 1.00 0.00 O ATOM 0 H SER A 2 -0.981 -18.357 12.329 1.00 0.00 H new ATOM 0 HA SER A 2 -2.540 -20.843 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.651 -20.217 14.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.995 -20.777 14.228 1.00 0.00 H new ATOM 0 HG SER A 2 -2.380 -18.871 15.496 1.00 0.00 H new ATOM 19 N SER A 3 -3.535 -17.695 12.158 1.00 0.00 N ATOM 20 CA SER A 3 -4.523 -16.740 11.684 1.00 0.00 C ATOM 21 C SER A 3 -4.036 -16.080 10.393 1.00 0.00 C ATOM 22 O SER A 3 -3.511 -14.968 10.420 1.00 0.00 O ATOM 23 CB SER A 3 -4.815 -15.678 12.746 1.00 0.00 C ATOM 24 OG SER A 3 -6.199 -15.341 12.797 1.00 0.00 O ATOM 0 H SER A 3 -2.845 -17.310 12.803 1.00 0.00 H new ATOM 0 HA SER A 3 -5.449 -17.278 11.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.495 -16.043 13.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.231 -14.782 12.533 1.00 0.00 H new ATOM 0 HG SER A 3 -6.345 -14.662 13.488 1.00 0.00 H new ATOM 30 N GLY A 4 -4.226 -16.793 9.293 1.00 0.00 N ATOM 31 CA GLY A 4 -3.813 -16.290 7.994 1.00 0.00 C ATOM 32 C GLY A 4 -2.844 -17.260 7.313 1.00 0.00 C ATOM 33 O GLY A 4 -1.780 -17.560 7.852 1.00 0.00 O ATOM 0 H GLY A 4 -4.661 -17.716 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.689 -16.142 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.336 -15.317 8.112 1.00 0.00 H new ATOM 37 N SER A 5 -3.247 -17.722 6.139 1.00 0.00 N ATOM 38 CA SER A 5 -2.428 -18.651 5.379 1.00 0.00 C ATOM 39 C SER A 5 -2.163 -18.092 3.980 1.00 0.00 C ATOM 40 O SER A 5 -3.081 -17.615 3.314 1.00 0.00 O ATOM 41 CB SER A 5 -3.097 -20.024 5.284 1.00 0.00 C ATOM 42 OG SER A 5 -2.223 -21.073 5.689 1.00 0.00 O ATOM 0 H SER A 5 -4.130 -17.470 5.695 1.00 0.00 H new ATOM 0 HA SER A 5 -1.478 -18.774 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.991 -20.036 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.422 -20.199 4.258 1.00 0.00 H new ATOM 0 HG SER A 5 -2.688 -21.933 5.616 1.00 0.00 H new ATOM 48 N SER A 6 -0.903 -18.168 3.577 1.00 0.00 N ATOM 49 CA SER A 6 -0.505 -17.674 2.269 1.00 0.00 C ATOM 50 C SER A 6 0.707 -18.458 1.761 1.00 0.00 C ATOM 51 O SER A 6 0.685 -18.992 0.653 1.00 0.00 O ATOM 52 CB SER A 6 -0.188 -16.179 2.317 1.00 0.00 C ATOM 53 OG SER A 6 -1.352 -15.380 2.125 1.00 0.00 O ATOM 0 H SER A 6 -0.145 -18.564 4.133 1.00 0.00 H new ATOM 0 HA SER A 6 -1.338 -17.818 1.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.265 -15.935 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.547 -15.939 1.549 1.00 0.00 H new ATOM 0 HG SER A 6 -2.139 -15.864 2.452 1.00 0.00 H new ATOM 59 N GLY A 7 1.735 -18.501 2.595 1.00 0.00 N ATOM 60 CA GLY A 7 2.954 -19.210 2.244 1.00 0.00 C ATOM 61 C GLY A 7 3.676 -18.520 1.085 1.00 0.00 C ATOM 62 O GLY A 7 3.777 -19.076 -0.007 1.00 0.00 O ATOM 0 H GLY A 7 1.749 -18.056 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.613 -19.258 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.715 -20.237 1.968 1.00 0.00 H new ATOM 66 N MET A 8 4.159 -17.318 1.363 1.00 0.00 N ATOM 67 CA MET A 8 4.868 -16.545 0.358 1.00 0.00 C ATOM 68 C MET A 8 4.029 -16.398 -0.913 1.00 0.00 C ATOM 69 O MET A 8 4.144 -17.205 -1.834 1.00 0.00 O ATOM 70 CB MET A 8 6.190 -17.238 0.020 1.00 0.00 C ATOM 71 CG MET A 8 7.378 -16.461 0.589 1.00 0.00 C ATOM 72 SD MET A 8 8.606 -16.205 -0.681 1.00 0.00 S ATOM 73 CE MET A 8 9.555 -17.706 -0.502 1.00 0.00 C ATOM 0 H MET A 8 4.073 -16.860 2.271 1.00 0.00 H new ATOM 0 HA MET A 8 5.061 -15.551 0.760 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.187 -18.251 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.293 -17.325 -1.062 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.041 -15.501 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.815 -17.009 1.424 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.370 -17.710 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.965 -17.759 0.506 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.910 -18.567 -0.677 1.00 0.00 H new ATOM 83 N PRO A 9 3.182 -15.334 -0.922 1.00 0.00 N ATOM 84 CA PRO A 9 2.324 -15.070 -2.065 1.00 0.00 C ATOM 85 C PRO A 9 3.126 -14.486 -3.229 1.00 0.00 C ATOM 86 O PRO A 9 4.329 -14.259 -3.107 1.00 0.00 O ATOM 87 CB PRO A 9 1.256 -14.122 -1.544 1.00 0.00 C ATOM 88 CG PRO A 9 1.817 -13.526 -0.264 1.00 0.00 C ATOM 89 CD PRO A 9 3.019 -14.358 0.151 1.00 0.00 C ATOM 0 HA PRO A 9 1.871 -15.975 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.036 -13.343 -2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.323 -14.652 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.108 -12.488 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.061 -13.529 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.909 -13.739 0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.849 -14.848 1.110 1.00 0.00 H new ATOM 97 N TYR A 10 2.428 -14.258 -4.332 1.00 0.00 N ATOM 98 CA TYR A 10 3.059 -13.705 -5.517 1.00 0.00 C ATOM 99 C TYR A 10 2.256 -12.524 -6.066 1.00 0.00 C ATOM 100 O TYR A 10 2.088 -12.392 -7.277 1.00 0.00 O ATOM 101 CB TYR A 10 3.065 -14.828 -6.556 1.00 0.00 C ATOM 102 CG TYR A 10 4.174 -15.861 -6.349 1.00 0.00 C ATOM 103 CD1 TYR A 10 5.432 -15.454 -5.952 1.00 0.00 C ATOM 104 CD2 TYR A 10 3.918 -17.201 -6.559 1.00 0.00 C ATOM 105 CE1 TYR A 10 6.476 -16.426 -5.757 1.00 0.00 C ATOM 106 CE2 TYR A 10 4.962 -18.173 -6.364 1.00 0.00 C ATOM 107 CZ TYR A 10 6.189 -17.738 -5.972 1.00 0.00 C ATOM 108 OH TYR A 10 7.175 -18.656 -5.788 1.00 0.00 O ATOM 0 H TYR A 10 1.430 -14.447 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 10 4.061 -13.345 -5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.101 -15.336 -6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.171 -14.390 -7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.633 -14.406 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.934 -17.520 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.464 -16.120 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.775 -19.224 -6.526 1.00 0.00 H new ATOM 0 HH TYR A 10 6.827 -19.552 -5.977 1.00 0.00 H new ATOM 118 N VAL A 11 1.782 -11.694 -5.148 1.00 0.00 N ATOM 119 CA VAL A 11 1.001 -10.529 -5.524 1.00 0.00 C ATOM 120 C VAL A 11 0.687 -9.705 -4.274 1.00 0.00 C ATOM 121 O VAL A 11 0.593 -10.249 -3.175 1.00 0.00 O ATOM 122 CB VAL A 11 -0.254 -10.963 -6.284 1.00 0.00 C ATOM 123 CG1 VAL A 11 -1.164 -11.816 -5.399 1.00 0.00 C ATOM 124 CG2 VAL A 11 -1.007 -9.751 -6.838 1.00 0.00 C ATOM 0 H VAL A 11 1.924 -11.806 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 11 1.570 -9.891 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 11 0.062 -11.576 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.048 -12.111 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.626 -12.707 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.467 -11.239 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.895 -10.088 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.304 -9.100 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.359 -9.201 -7.520 1.00 0.00 H new ATOM 134 N ASP A 12 0.533 -8.406 -4.483 1.00 0.00 N ATOM 135 CA ASP A 12 0.231 -7.502 -3.386 1.00 0.00 C ATOM 136 C ASP A 12 0.266 -6.059 -3.896 1.00 0.00 C ATOM 137 O ASP A 12 0.642 -5.810 -5.040 1.00 0.00 O ATOM 138 CB ASP A 12 1.264 -7.632 -2.265 1.00 0.00 C ATOM 139 CG ASP A 12 0.684 -7.638 -0.849 1.00 0.00 C ATOM 140 OD1 ASP A 12 -0.283 -6.877 -0.629 1.00 0.00 O ATOM 141 OD2 ASP A 12 1.221 -8.403 -0.019 1.00 0.00 O ATOM 0 H ASP A 12 0.612 -7.958 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.755 -7.758 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.827 -8.553 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.973 -6.808 -2.348 1.00 0.00 H new ATOM 146 N ARG A 13 -0.131 -5.147 -3.021 1.00 0.00 N ATOM 147 CA ARG A 13 -0.150 -3.736 -3.368 1.00 0.00 C ATOM 148 C ARG A 13 1.252 -3.138 -3.235 1.00 0.00 C ATOM 149 O ARG A 13 1.487 -2.280 -2.385 1.00 0.00 O ATOM 150 CB ARG A 13 -1.115 -2.960 -2.469 1.00 0.00 C ATOM 151 CG ARG A 13 -2.568 -3.218 -2.873 1.00 0.00 C ATOM 152 CD ARG A 13 -3.241 -1.929 -3.350 1.00 0.00 C ATOM 153 NE ARG A 13 -4.665 -2.187 -3.660 1.00 0.00 N ATOM 154 CZ ARG A 13 -5.480 -1.297 -4.242 1.00 0.00 C ATOM 155 NH1 ARG A 13 -5.017 -0.086 -4.581 1.00 0.00 N ATOM 156 NH2 ARG A 13 -6.758 -1.617 -4.485 1.00 0.00 N ATOM 0 H ARG A 13 -0.442 -5.357 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.488 -3.653 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.965 -3.253 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.900 -1.893 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.602 -3.965 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.118 -3.628 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.161 -1.161 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.731 -1.548 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.050 -3.099 -3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.044 0.158 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.637 0.592 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.111 -2.539 -4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.378 -0.939 -4.928 1.00 0.00 H new ATOM 170 N GLN A 14 2.147 -3.614 -4.088 1.00 0.00 N ATOM 171 CA GLN A 14 3.520 -3.137 -4.076 1.00 0.00 C ATOM 172 C GLN A 14 3.680 -1.957 -5.037 1.00 0.00 C ATOM 173 O GLN A 14 4.733 -1.789 -5.650 1.00 0.00 O ATOM 174 CB GLN A 14 4.495 -4.264 -4.424 1.00 0.00 C ATOM 175 CG GLN A 14 4.360 -5.429 -3.442 1.00 0.00 C ATOM 176 CD GLN A 14 4.977 -6.705 -4.017 1.00 0.00 C ATOM 177 OE1 GLN A 14 4.515 -7.260 -5.001 1.00 0.00 O ATOM 178 NE2 GLN A 14 6.043 -7.139 -3.350 1.00 0.00 N ATOM 0 H GLN A 14 1.949 -4.325 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 14 3.757 -2.795 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.304 -4.615 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.517 -3.884 -4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.850 -5.176 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.307 -5.599 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.378 -6.626 -2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.526 -7.984 -3.655 1.00 0.00 H new ATOM 187 N ASN A 15 2.619 -1.171 -5.140 1.00 0.00 N ATOM 188 CA ASN A 15 2.628 -0.011 -6.016 1.00 0.00 C ATOM 189 C ASN A 15 2.770 1.258 -5.173 1.00 0.00 C ATOM 190 O ASN A 15 3.448 1.254 -4.147 1.00 0.00 O ATOM 191 CB ASN A 15 1.324 0.091 -6.809 1.00 0.00 C ATOM 192 CG ASN A 15 0.779 -1.298 -7.149 1.00 0.00 C ATOM 193 OD1 ASN A 15 0.107 -1.941 -6.359 1.00 0.00 O ATOM 194 ND2 ASN A 15 1.106 -1.724 -8.366 1.00 0.00 N ATOM 0 H ASN A 15 1.747 -1.314 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 15 3.463 -0.118 -6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.584 0.644 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.495 0.653 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.791 -2.639 -8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.672 -1.135 -8.978 1.00 0.00 H new ATOM 201 N ARG A 16 2.118 2.314 -5.638 1.00 0.00 N ATOM 202 CA ARG A 16 2.163 3.587 -4.940 1.00 0.00 C ATOM 203 C ARG A 16 1.066 4.518 -5.462 1.00 0.00 C ATOM 204 O ARG A 16 1.042 4.853 -6.645 1.00 0.00 O ATOM 205 CB ARG A 16 3.523 4.265 -5.117 1.00 0.00 C ATOM 206 CG ARG A 16 3.384 5.789 -5.093 1.00 0.00 C ATOM 207 CD ARG A 16 4.704 6.454 -4.698 1.00 0.00 C ATOM 208 NE ARG A 16 4.906 7.687 -5.490 1.00 0.00 N ATOM 209 CZ ARG A 16 6.090 8.296 -5.644 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.185 7.789 -5.060 1.00 0.00 N ATOM 211 NH2 ARG A 16 6.180 9.411 -6.381 1.00 0.00 N ATOM 0 H ARG A 16 1.556 2.314 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 16 2.003 3.389 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.199 3.945 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.969 3.952 -6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.073 6.145 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.603 6.075 -4.388 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.697 6.692 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.532 5.765 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 16 4.093 8.100 -5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.117 6.940 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.086 8.252 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.347 9.797 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.081 9.874 -6.498 1.00 0.00 H new ATOM 225 N ILE A 17 0.183 4.908 -4.553 1.00 0.00 N ATOM 226 CA ILE A 17 -0.914 5.792 -4.907 1.00 0.00 C ATOM 227 C ILE A 17 -0.418 7.240 -4.899 1.00 0.00 C ATOM 228 O ILE A 17 0.571 7.558 -4.241 1.00 0.00 O ATOM 229 CB ILE A 17 -2.115 5.548 -3.992 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.430 5.717 -4.756 1.00 0.00 C ATOM 231 CG2 ILE A 17 -2.052 6.446 -2.754 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.507 4.780 -4.207 1.00 0.00 C ATOM 0 H ILE A 17 0.206 4.628 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.264 5.580 -5.917 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.075 4.516 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.769 6.750 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.269 5.511 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.917 6.253 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.139 6.234 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.054 7.491 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.431 4.920 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.175 3.746 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.683 5.005 -3.155 1.00 0.00 H new ATOM 244 N CYS A 18 -1.129 8.079 -5.639 1.00 0.00 N ATOM 245 CA CYS A 18 -0.774 9.485 -5.726 1.00 0.00 C ATOM 246 C CYS A 18 -2.065 10.302 -5.815 1.00 0.00 C ATOM 247 O CYS A 18 -3.090 9.801 -6.275 1.00 0.00 O ATOM 248 CB CYS A 18 0.159 9.761 -6.907 1.00 0.00 C ATOM 249 SG CYS A 18 -0.532 9.028 -8.435 1.00 0.00 S ATOM 0 H CYS A 18 -1.949 7.812 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.220 9.779 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.288 10.836 -7.036 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.146 9.343 -6.707 1.00 0.00 H new ATOM 0 HG CYS A 18 0.266 9.270 -9.432 1.00 0.00 H new ATOM 255 N GLY A 19 -1.973 11.545 -5.368 1.00 0.00 N ATOM 256 CA GLY A 19 -3.120 12.436 -5.392 1.00 0.00 C ATOM 257 C GLY A 19 -2.971 13.551 -4.355 1.00 0.00 C ATOM 258 O GLY A 19 -2.130 13.464 -3.461 1.00 0.00 O ATOM 0 H GLY A 19 -1.121 11.957 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.226 12.871 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.029 11.869 -5.193 1.00 0.00 H new ATOM 262 N PHE A 20 -3.799 14.574 -4.508 1.00 0.00 N ATOM 263 CA PHE A 20 -3.769 15.704 -3.596 1.00 0.00 C ATOM 264 C PHE A 20 -4.773 15.516 -2.457 1.00 0.00 C ATOM 265 O PHE A 20 -5.924 15.154 -2.693 1.00 0.00 O ATOM 266 CB PHE A 20 -4.160 16.942 -4.406 1.00 0.00 C ATOM 267 CG PHE A 20 -3.095 17.393 -5.407 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.910 16.698 -6.562 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.334 18.489 -5.143 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.921 17.117 -7.491 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.345 18.907 -6.073 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.160 18.212 -7.227 1.00 0.00 C ATOM 0 H PHE A 20 -4.495 14.644 -5.250 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.776 15.802 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.085 16.734 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.368 17.762 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.515 15.828 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.482 19.041 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.773 16.565 -8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.740 19.777 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.408 18.530 -7.934 1.00 0.00 H new ATOM 282 N LEU A 21 -4.300 15.772 -1.246 1.00 0.00 N ATOM 283 CA LEU A 21 -5.141 15.635 -0.070 1.00 0.00 C ATOM 284 C LEU A 21 -5.122 16.945 0.721 1.00 0.00 C ATOM 285 O LEU A 21 -4.096 17.621 0.783 1.00 0.00 O ATOM 286 CB LEU A 21 -4.721 14.415 0.752 1.00 0.00 C ATOM 287 CG LEU A 21 -4.754 13.071 0.021 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.277 11.939 0.933 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.144 12.795 -0.557 1.00 0.00 C ATOM 0 H LEU A 21 -3.345 16.074 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.175 15.452 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.709 14.581 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.371 14.348 1.624 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.061 13.122 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.310 10.995 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.254 12.137 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.926 11.877 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.140 11.834 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.876 12.771 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.408 13.583 -1.263 1.00 0.00 H new ATOM 301 N ASP A 22 -6.267 17.264 1.305 1.00 0.00 N ATOM 302 CA ASP A 22 -6.394 18.480 2.089 1.00 0.00 C ATOM 303 C ASP A 22 -6.190 18.152 3.569 1.00 0.00 C ATOM 304 O ASP A 22 -7.136 17.784 4.264 1.00 0.00 O ATOM 305 CB ASP A 22 -7.786 19.096 1.930 1.00 0.00 C ATOM 306 CG ASP A 22 -8.231 19.321 0.483 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.547 20.108 -0.205 1.00 0.00 O ATOM 308 OD2 ASP A 22 -9.246 18.701 0.099 1.00 0.00 O ATOM 0 H ASP A 22 -7.116 16.701 1.251 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.644 19.187 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.512 18.448 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.806 20.052 2.454 1.00 0.00 H new ATOM 313 N ILE A 23 -4.948 18.296 4.009 1.00 0.00 N ATOM 314 CA ILE A 23 -4.607 18.019 5.394 1.00 0.00 C ATOM 315 C ILE A 23 -4.849 19.274 6.235 1.00 0.00 C ATOM 316 O ILE A 23 -4.401 20.362 5.875 1.00 0.00 O ATOM 317 CB ILE A 23 -3.181 17.476 5.496 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.907 16.913 6.893 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.158 18.541 5.097 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.614 16.096 6.911 1.00 0.00 C ATOM 0 H ILE A 23 -4.165 18.601 3.430 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.251 17.237 5.796 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.079 16.652 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.835 17.730 7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.742 16.286 7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.152 18.128 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.340 18.853 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.252 19.402 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.443 15.708 7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.699 15.265 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.778 16.732 6.621 1.00 0.00 H new ATOM 332 N GLU A 24 -5.557 19.081 7.338 1.00 0.00 N ATOM 333 CA GLU A 24 -5.863 20.184 8.233 1.00 0.00 C ATOM 334 C GLU A 24 -4.586 20.696 8.902 1.00 0.00 C ATOM 335 O GLU A 24 -3.919 19.955 9.622 1.00 0.00 O ATOM 336 CB GLU A 24 -6.902 19.771 9.277 1.00 0.00 C ATOM 337 CG GLU A 24 -7.541 20.997 9.931 1.00 0.00 C ATOM 338 CD GLU A 24 -8.482 20.587 11.065 1.00 0.00 C ATOM 339 OE1 GLU A 24 -8.310 19.453 11.563 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.353 21.415 11.408 1.00 0.00 O ATOM 0 H GLU A 24 -5.928 18.177 7.632 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.291 20.995 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.674 19.162 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.430 19.152 10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.762 21.653 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.094 21.566 9.183 1.00 0.00 H new ATOM 347 N ASP A 25 -4.284 21.959 8.640 1.00 0.00 N ATOM 348 CA ASP A 25 -3.098 22.578 9.208 1.00 0.00 C ATOM 349 C ASP A 25 -3.349 22.890 10.685 1.00 0.00 C ATOM 350 O ASP A 25 -4.457 23.264 11.064 1.00 0.00 O ATOM 351 CB ASP A 25 -2.768 23.892 8.496 1.00 0.00 C ATOM 352 CG ASP A 25 -3.544 25.111 8.997 1.00 0.00 C ATOM 353 OD1 ASP A 25 -4.782 24.985 9.120 1.00 0.00 O ATOM 354 OD2 ASP A 25 -2.883 26.142 9.245 1.00 0.00 O ATOM 0 H ASP A 25 -4.840 22.571 8.042 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.265 21.885 9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.702 24.089 8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.962 23.769 7.430 1.00 0.00 H new ATOM 359 N ASN A 26 -2.300 22.726 11.478 1.00 0.00 N ATOM 360 CA ASN A 26 -2.393 22.985 12.904 1.00 0.00 C ATOM 361 C ASN A 26 -2.296 24.492 13.151 1.00 0.00 C ATOM 362 O ASN A 26 -2.581 24.964 14.251 1.00 0.00 O ATOM 363 CB ASN A 26 -1.250 22.308 13.663 1.00 0.00 C ATOM 364 CG ASN A 26 -1.467 22.395 15.175 1.00 0.00 C ATOM 365 OD1 ASN A 26 -2.288 21.701 15.751 1.00 0.00 O ATOM 366 ND2 ASN A 26 -0.688 23.286 15.782 1.00 0.00 N ATOM 0 H ASN A 26 -1.382 22.417 11.160 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.345 22.589 13.257 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.178 21.263 13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.304 22.781 13.400 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.757 23.421 16.791 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.021 23.834 15.239 1.00 0.00 H new ATOM 373 N GLU A 27 -1.893 25.206 12.110 1.00 0.00 N ATOM 374 CA GLU A 27 -1.756 26.649 12.200 1.00 0.00 C ATOM 375 C GLU A 27 -3.131 27.317 12.158 1.00 0.00 C ATOM 376 O GLU A 27 -3.253 28.513 12.418 1.00 0.00 O ATOM 377 CB GLU A 27 -0.852 27.184 11.087 1.00 0.00 C ATOM 378 CG GLU A 27 0.610 27.220 11.538 1.00 0.00 C ATOM 379 CD GLU A 27 1.155 28.650 11.517 1.00 0.00 C ATOM 380 OE1 GLU A 27 0.950 29.320 10.482 1.00 0.00 O ATOM 381 OE2 GLU A 27 1.764 29.040 12.536 1.00 0.00 O ATOM 0 H GLU A 27 -1.657 24.811 11.200 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.286 26.891 13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.948 26.555 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.173 28.186 10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.694 26.810 12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.212 26.588 10.885 1.00 0.00 H new ATOM 388 N ASN A 28 -4.134 26.515 11.829 1.00 0.00 N ATOM 389 CA ASN A 28 -5.496 27.014 11.749 1.00 0.00 C ATOM 390 C ASN A 28 -6.463 25.832 11.661 1.00 0.00 C ATOM 391 O ASN A 28 -6.643 25.251 10.592 1.00 0.00 O ATOM 392 CB ASN A 28 -5.694 27.880 10.504 1.00 0.00 C ATOM 393 CG ASN A 28 -5.433 29.355 10.814 1.00 0.00 C ATOM 394 OD1 ASN A 28 -6.110 29.976 11.618 1.00 0.00 O ATOM 395 ND2 ASN A 28 -4.418 29.880 10.135 1.00 0.00 N ATOM 0 H ASN A 28 -4.030 25.523 11.615 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.688 27.613 12.639 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.021 27.546 9.714 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.710 27.758 10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.165 30.858 10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.892 29.304 9.477 1.00 0.00 H new ATOM 402 N SER A 29 -7.060 25.510 12.800 1.00 0.00 N ATOM 403 CA SER A 29 -8.003 24.408 12.865 1.00 0.00 C ATOM 404 C SER A 29 -9.269 24.755 12.078 1.00 0.00 C ATOM 405 O SER A 29 -10.328 24.975 12.663 1.00 0.00 O ATOM 406 CB SER A 29 -8.357 24.070 14.315 1.00 0.00 C ATOM 407 OG SER A 29 -7.765 22.843 14.736 1.00 0.00 O ATOM 0 H SER A 29 -6.908 25.994 13.685 1.00 0.00 H new ATOM 0 HA SER A 29 -7.534 23.531 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.023 24.877 14.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.440 24.004 14.418 1.00 0.00 H new ATOM 0 HG SER A 29 -8.013 22.663 15.667 1.00 0.00 H new ATOM 413 N GLY A 30 -9.117 24.793 10.762 1.00 0.00 N ATOM 414 CA GLY A 30 -10.234 25.109 9.888 1.00 0.00 C ATOM 415 C GLY A 30 -9.808 25.075 8.419 1.00 0.00 C ATOM 416 O GLY A 30 -10.555 24.604 7.563 1.00 0.00 O ATOM 0 H GLY A 30 -8.237 24.610 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.042 24.396 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.625 26.096 10.134 1.00 0.00 H new ATOM 420 N LYS A 31 -8.608 25.581 8.172 1.00 0.00 N ATOM 421 CA LYS A 31 -8.074 25.614 6.822 1.00 0.00 C ATOM 422 C LYS A 31 -7.132 24.425 6.621 1.00 0.00 C ATOM 423 O LYS A 31 -6.520 23.945 7.574 1.00 0.00 O ATOM 424 CB LYS A 31 -7.423 26.969 6.536 1.00 0.00 C ATOM 425 CG LYS A 31 -8.274 27.793 5.567 1.00 0.00 C ATOM 426 CD LYS A 31 -9.361 28.568 6.314 1.00 0.00 C ATOM 427 CE LYS A 31 -9.605 29.932 5.666 1.00 0.00 C ATOM 428 NZ LYS A 31 -11.024 30.328 5.812 1.00 0.00 N ATOM 0 H LYS A 31 -7.991 25.971 8.884 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.877 25.512 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.293 27.518 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.429 26.817 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.638 28.488 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.733 27.134 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.286 27.992 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.066 28.703 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.963 30.681 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.339 29.892 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.173 31.256 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.631 29.621 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.266 30.386 6.822 1.00 0.00 H new ATOM 442 N PHE A 32 -7.045 23.984 5.374 1.00 0.00 N ATOM 443 CA PHE A 32 -6.188 22.861 5.036 1.00 0.00 C ATOM 444 C PHE A 32 -5.142 23.263 3.995 1.00 0.00 C ATOM 445 O PHE A 32 -5.433 24.037 3.084 1.00 0.00 O ATOM 446 CB PHE A 32 -7.088 21.774 4.445 1.00 0.00 C ATOM 447 CG PHE A 32 -8.239 21.352 5.360 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.321 22.163 5.510 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.180 20.167 6.024 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.389 21.771 6.360 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.248 19.776 6.874 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.330 20.586 7.024 1.00 0.00 C ATOM 0 H PHE A 32 -7.554 24.384 4.586 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.661 22.514 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.500 22.132 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.480 20.899 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.368 23.104 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.321 19.523 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.248 22.414 6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.201 18.835 7.402 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.142 20.288 7.670 1.00 0.00 H new ATOM 462 N LEU A 33 -3.945 22.719 4.164 1.00 0.00 N ATOM 463 CA LEU A 33 -2.854 23.011 3.250 1.00 0.00 C ATOM 464 C LEU A 33 -2.936 22.069 2.048 1.00 0.00 C ATOM 465 O LEU A 33 -2.499 20.921 2.123 1.00 0.00 O ATOM 466 CB LEU A 33 -1.512 22.958 3.983 1.00 0.00 C ATOM 467 CG LEU A 33 -1.261 24.071 5.002 1.00 0.00 C ATOM 468 CD1 LEU A 33 0.235 24.362 5.138 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.060 25.328 4.651 1.00 0.00 C ATOM 0 H LEU A 33 -3.707 22.078 4.921 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.941 24.027 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.438 21.999 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.714 22.985 3.241 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.613 23.728 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.386 25.157 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.752 23.462 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.634 24.675 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.863 26.103 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.763 25.684 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.124 25.093 4.646 1.00 0.00 H new ATOM 481 N ARG A 34 -3.498 22.588 0.966 1.00 0.00 N ATOM 482 CA ARG A 34 -3.643 21.807 -0.251 1.00 0.00 C ATOM 483 C ARG A 34 -2.267 21.433 -0.808 1.00 0.00 C ATOM 484 O ARG A 34 -1.523 22.299 -1.267 1.00 0.00 O ATOM 485 CB ARG A 34 -4.422 22.583 -1.314 1.00 0.00 C ATOM 486 CG ARG A 34 -4.202 21.982 -2.703 1.00 0.00 C ATOM 487 CD ARG A 34 -4.408 20.466 -2.683 1.00 0.00 C ATOM 488 NE ARG A 34 -4.947 20.011 -3.984 1.00 0.00 N ATOM 489 CZ ARG A 34 -6.202 20.236 -4.397 1.00 0.00 C ATOM 490 NH1 ARG A 34 -7.054 20.911 -3.614 1.00 0.00 N ATOM 491 NH2 ARG A 34 -6.604 19.786 -5.593 1.00 0.00 N ATOM 0 H ARG A 34 -3.859 23.540 0.907 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.196 20.902 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.485 22.570 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.107 23.626 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.892 22.437 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.193 22.211 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.462 19.965 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.094 20.195 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.325 19.494 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.748 21.254 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.009 21.082 -3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.955 19.272 -6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.559 19.957 -5.908 1.00 0.00 H new ATOM 505 N ARG A 35 -1.971 20.143 -0.749 1.00 0.00 N ATOM 506 CA ARG A 35 -0.699 19.644 -1.241 1.00 0.00 C ATOM 507 C ARG A 35 -0.898 18.319 -1.980 1.00 0.00 C ATOM 508 O ARG A 35 -1.965 17.713 -1.897 1.00 0.00 O ATOM 509 CB ARG A 35 0.293 19.437 -0.095 1.00 0.00 C ATOM 510 CG ARG A 35 0.402 20.694 0.770 1.00 0.00 C ATOM 511 CD ARG A 35 1.195 21.787 0.050 1.00 0.00 C ATOM 512 NE ARG A 35 1.391 22.946 0.950 1.00 0.00 N ATOM 513 CZ ARG A 35 0.513 23.950 1.084 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.626 23.943 0.378 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.774 24.960 1.924 1.00 0.00 N ATOM 0 H ARG A 35 -2.591 19.428 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.294 20.389 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.026 18.595 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.273 19.183 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.595 21.062 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.888 20.449 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.161 21.396 -0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.665 22.100 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 35 2.248 22.983 1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.825 23.174 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.294 24.707 0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.641 24.965 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.106 25.724 2.026 1.00 0.00 H new ATOM 529 N TYR A 36 0.145 17.909 -2.686 1.00 0.00 N ATOM 530 CA TYR A 36 0.098 16.668 -3.439 1.00 0.00 C ATOM 531 C TYR A 36 0.712 15.517 -2.638 1.00 0.00 C ATOM 532 O TYR A 36 1.931 15.363 -2.601 1.00 0.00 O ATOM 533 CB TYR A 36 0.939 16.904 -4.696 1.00 0.00 C ATOM 534 CG TYR A 36 0.971 15.713 -5.655 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.197 15.053 -5.976 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.170 15.299 -6.200 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.166 13.932 -6.880 1.00 0.00 C ATOM 538 CE2 TYR A 36 2.201 14.178 -7.104 1.00 0.00 C ATOM 539 CZ TYR A 36 1.031 13.550 -7.399 1.00 0.00 C ATOM 540 OH TYR A 36 1.060 12.491 -8.252 1.00 0.00 O ATOM 0 H TYR A 36 1.028 18.415 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.933 16.399 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.547 17.773 -5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.959 17.145 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.135 15.377 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.085 15.816 -5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.073 13.407 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.132 13.844 -7.538 1.00 0.00 H new ATOM 0 HH TYR A 36 1.982 12.332 -8.545 1.00 0.00 H new ATOM 550 N PHE A 37 -0.162 14.739 -2.017 1.00 0.00 N ATOM 551 CA PHE A 37 0.278 13.607 -1.219 1.00 0.00 C ATOM 552 C PHE A 37 0.604 12.404 -2.107 1.00 0.00 C ATOM 553 O PHE A 37 -0.092 12.147 -3.088 1.00 0.00 O ATOM 554 CB PHE A 37 -0.878 13.241 -0.286 1.00 0.00 C ATOM 555 CG PHE A 37 -0.974 14.121 0.961 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.028 15.475 0.836 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.007 13.551 2.195 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.117 16.292 1.993 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.096 14.369 3.353 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.150 15.722 3.227 1.00 0.00 C ATOM 0 H PHE A 37 -1.173 14.870 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 37 1.179 13.870 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.814 13.310 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.767 12.202 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.003 15.928 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.966 12.476 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.159 17.367 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.121 13.916 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.219 16.344 4.107 1.00 0.00 H new ATOM 570 N ILE A 38 1.660 11.700 -1.729 1.00 0.00 N ATOM 571 CA ILE A 38 2.086 10.530 -2.479 1.00 0.00 C ATOM 572 C ILE A 38 2.488 9.422 -1.502 1.00 0.00 C ATOM 573 O ILE A 38 3.359 9.622 -0.657 1.00 0.00 O ATOM 574 CB ILE A 38 3.187 10.902 -3.474 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.613 11.677 -4.662 1.00 0.00 C ATOM 576 CG2 ILE A 38 3.965 9.663 -3.919 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.731 12.291 -5.507 1.00 0.00 C ATOM 0 H ILE A 38 2.233 11.917 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 38 1.263 10.143 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 38 3.894 11.562 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.010 11.010 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.950 12.464 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.741 9.955 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.424 9.190 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.285 8.959 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.296 12.836 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.317 12.975 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.377 11.499 -5.886 1.00 0.00 H new ATOM 589 N LEU A 39 1.834 8.280 -1.651 1.00 0.00 N ATOM 590 CA LEU A 39 2.112 7.141 -0.793 1.00 0.00 C ATOM 591 C LEU A 39 3.313 6.372 -1.348 1.00 0.00 C ATOM 592 O LEU A 39 3.182 5.619 -2.312 1.00 0.00 O ATOM 593 CB LEU A 39 0.859 6.281 -0.620 1.00 0.00 C ATOM 594 CG LEU A 39 0.824 5.388 0.621 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.734 6.226 1.898 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.307 4.362 0.528 1.00 0.00 C ATOM 0 H LEU A 39 1.112 8.119 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 39 2.381 7.476 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.009 6.940 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.752 5.649 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 39 1.760 4.831 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.711 5.566 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.602 6.882 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.175 6.828 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.309 3.740 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.262 4.880 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.157 3.733 -0.350 1.00 0.00 H new ATOM 608 N ASP A 40 4.457 6.587 -0.714 1.00 0.00 N ATOM 609 CA ASP A 40 5.680 5.924 -1.132 1.00 0.00 C ATOM 610 C ASP A 40 5.950 4.734 -0.210 1.00 0.00 C ATOM 611 O ASP A 40 6.169 4.909 0.988 1.00 0.00 O ATOM 612 CB ASP A 40 6.878 6.871 -1.044 1.00 0.00 C ATOM 613 CG ASP A 40 8.192 6.306 -1.589 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.259 5.066 -1.732 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.098 7.126 -1.849 1.00 0.00 O ATOM 0 H ASP A 40 4.562 7.211 0.086 1.00 0.00 H new ATOM 0 HA ASP A 40 5.552 5.600 -2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.640 7.785 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.025 7.150 -0.001 1.00 0.00 H new ATOM 620 N THR A 41 5.926 3.549 -0.802 1.00 0.00 N ATOM 621 CA THR A 41 6.165 2.330 -0.049 1.00 0.00 C ATOM 622 C THR A 41 7.668 2.089 0.112 1.00 0.00 C ATOM 623 O THR A 41 8.104 1.507 1.104 1.00 0.00 O ATOM 624 CB THR A 41 5.439 1.185 -0.758 1.00 0.00 C ATOM 625 OG1 THR A 41 6.334 0.795 -1.796 1.00 0.00 O ATOM 626 CG2 THR A 41 4.188 1.658 -1.503 1.00 0.00 C ATOM 0 H THR A 41 5.744 3.407 -1.796 1.00 0.00 H new ATOM 0 HA THR A 41 5.769 2.407 0.964 1.00 0.00 H new ATOM 0 HB THR A 41 5.162 0.424 -0.028 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.942 0.055 -2.305 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.710 0.807 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.492 2.110 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.469 2.394 -2.256 1.00 0.00 H new ATOM 634 N GLN A 42 8.418 2.548 -0.879 1.00 0.00 N ATOM 635 CA GLN A 42 9.862 2.390 -0.860 1.00 0.00 C ATOM 636 C GLN A 42 10.468 3.187 0.297 1.00 0.00 C ATOM 637 O GLN A 42 11.348 2.694 1.001 1.00 0.00 O ATOM 638 CB GLN A 42 10.477 2.809 -2.196 1.00 0.00 C ATOM 639 CG GLN A 42 9.872 2.010 -3.353 1.00 0.00 C ATOM 640 CD GLN A 42 10.888 1.825 -4.482 1.00 0.00 C ATOM 641 OE1 GLN A 42 12.076 2.051 -4.326 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.355 1.402 -5.625 1.00 0.00 N ATOM 0 H GLN A 42 8.052 3.030 -1.701 1.00 0.00 H new ATOM 0 HA GLN A 42 10.091 1.335 -0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.311 3.874 -2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.556 2.655 -2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.542 1.036 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.990 2.525 -3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.351 1.232 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.950 1.248 -6.439 1.00 0.00 H new ATOM 651 N ALA A 43 9.974 4.406 0.457 1.00 0.00 N ATOM 652 CA ALA A 43 10.455 5.276 1.516 1.00 0.00 C ATOM 653 C ALA A 43 9.831 4.848 2.845 1.00 0.00 C ATOM 654 O ALA A 43 10.463 4.956 3.895 1.00 0.00 O ATOM 655 CB ALA A 43 10.139 6.731 1.165 1.00 0.00 C ATOM 0 H ALA A 43 9.245 4.812 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 43 11.537 5.193 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.500 7.384 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.630 6.994 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.061 6.853 1.057 1.00 0.00 H new ATOM 661 N ASN A 44 8.598 4.371 2.757 1.00 0.00 N ATOM 662 CA ASN A 44 7.882 3.926 3.941 1.00 0.00 C ATOM 663 C ASN A 44 7.413 5.146 4.737 1.00 0.00 C ATOM 664 O ASN A 44 7.273 5.079 5.957 1.00 0.00 O ATOM 665 CB ASN A 44 8.784 3.088 4.848 1.00 0.00 C ATOM 666 CG ASN A 44 7.954 2.222 5.798 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.058 1.498 5.396 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.300 2.336 7.076 1.00 0.00 N ATOM 0 H ASN A 44 8.077 4.283 1.885 1.00 0.00 H new ATOM 0 HA ASN A 44 7.036 3.321 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.428 2.453 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.436 3.744 5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.805 1.799 7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.060 2.961 7.345 1.00 0.00 H new ATOM 675 N CYS A 45 7.184 6.232 4.013 1.00 0.00 N ATOM 676 CA CYS A 45 6.734 7.465 4.637 1.00 0.00 C ATOM 677 C CYS A 45 5.870 8.226 3.629 1.00 0.00 C ATOM 678 O CYS A 45 6.054 8.088 2.420 1.00 0.00 O ATOM 679 CB CYS A 45 7.910 8.310 5.133 1.00 0.00 C ATOM 680 SG CYS A 45 9.101 7.255 6.037 1.00 0.00 S ATOM 0 H CYS A 45 7.302 6.284 3.001 1.00 0.00 H new ATOM 0 HA CYS A 45 6.140 7.233 5.521 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.405 8.790 4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.548 9.105 5.785 1.00 0.00 H new ATOM 0 HG CYS A 45 8.700 7.102 7.264 1.00 0.00 H new ATOM 686 N LEU A 46 4.947 9.011 4.164 1.00 0.00 N ATOM 687 CA LEU A 46 4.054 9.794 3.326 1.00 0.00 C ATOM 688 C LEU A 46 4.641 11.193 3.130 1.00 0.00 C ATOM 689 O LEU A 46 4.966 11.875 4.101 1.00 0.00 O ATOM 690 CB LEU A 46 2.639 9.796 3.908 1.00 0.00 C ATOM 691 CG LEU A 46 1.554 10.424 3.030 1.00 0.00 C ATOM 692 CD1 LEU A 46 1.937 11.846 2.617 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.247 9.538 1.820 1.00 0.00 C ATOM 0 H LEU A 46 4.798 9.122 5.167 1.00 0.00 H new ATOM 0 HA LEU A 46 3.967 9.344 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.354 8.766 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.660 10.326 4.860 1.00 0.00 H new ATOM 0 HG LEU A 46 0.639 10.496 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.149 12.269 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.065 12.461 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.871 11.823 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.473 10.007 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.150 9.412 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.899 8.563 2.162 1.00 0.00 H new ATOM 705 N LEU A 47 4.759 11.579 1.868 1.00 0.00 N ATOM 706 CA LEU A 47 5.301 12.885 1.533 1.00 0.00 C ATOM 707 C LEU A 47 4.302 13.635 0.649 1.00 0.00 C ATOM 708 O LEU A 47 3.797 13.085 -0.329 1.00 0.00 O ATOM 709 CB LEU A 47 6.690 12.744 0.908 1.00 0.00 C ATOM 710 CG LEU A 47 7.597 11.677 1.523 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.336 10.892 0.437 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.560 12.295 2.539 1.00 0.00 C ATOM 0 H LEU A 47 4.489 11.011 1.065 1.00 0.00 H new ATOM 0 HA LEU A 47 5.441 13.482 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.569 12.522 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.197 13.707 0.976 1.00 0.00 H new ATOM 0 HG LEU A 47 6.971 10.967 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.974 10.140 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.612 10.402 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.949 11.574 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.193 11.515 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.183 13.040 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.990 12.771 3.337 1.00 0.00 H new ATOM 724 N TRP A 48 4.047 14.880 1.025 1.00 0.00 N ATOM 725 CA TRP A 48 3.118 15.711 0.278 1.00 0.00 C ATOM 726 C TRP A 48 3.864 16.969 -0.170 1.00 0.00 C ATOM 727 O TRP A 48 4.443 17.678 0.651 1.00 0.00 O ATOM 728 CB TRP A 48 1.870 16.020 1.108 1.00 0.00 C ATOM 729 CG TRP A 48 2.161 16.754 2.419 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.469 18.047 2.589 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.157 16.182 3.744 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.664 18.349 3.922 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.468 17.179 4.646 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.899 14.866 4.166 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.551 16.965 6.027 1.00 0.00 C ATOM 736 CZ3 TRP A 48 1.986 14.669 5.549 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.298 15.661 6.471 1.00 0.00 C ATOM 0 H TRP A 48 4.467 15.333 1.837 1.00 0.00 H new ATOM 0 HA TRP A 48 2.757 15.187 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.188 16.624 0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.355 15.086 1.333 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.554 18.763 1.785 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.907 19.263 4.305 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.653 14.071 3.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.797 17.762 6.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.797 13.675 5.927 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.345 15.428 7.524 1.00 0.00 H new ATOM 748 N TYR A 49 3.826 17.208 -1.473 1.00 0.00 N ATOM 749 CA TYR A 49 4.492 18.368 -2.041 1.00 0.00 C ATOM 750 C TYR A 49 3.477 19.346 -2.635 1.00 0.00 C ATOM 751 O TYR A 49 2.487 18.931 -3.236 1.00 0.00 O ATOM 752 CB TYR A 49 5.385 17.834 -3.163 1.00 0.00 C ATOM 753 CG TYR A 49 6.051 16.494 -2.844 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.338 15.320 -2.978 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.365 16.460 -2.422 1.00 0.00 C ATOM 756 CE1 TYR A 49 5.965 14.059 -2.678 1.00 0.00 C ATOM 757 CE2 TYR A 49 7.992 15.198 -2.122 1.00 0.00 C ATOM 758 CZ TYR A 49 7.261 14.060 -2.265 1.00 0.00 C ATOM 759 OH TYR A 49 7.853 12.869 -1.982 1.00 0.00 O ATOM 0 H TYR A 49 3.344 16.618 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 49 5.056 18.900 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.787 17.725 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.159 18.570 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.310 15.347 -3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.923 17.379 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.418 13.133 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.019 15.157 -1.791 1.00 0.00 H new ATOM 0 HH TYR A 49 8.824 12.990 -1.934 1.00 0.00 H new ATOM 769 N MET A 50 3.758 20.627 -2.447 1.00 0.00 N ATOM 770 CA MET A 50 2.881 21.668 -2.957 1.00 0.00 C ATOM 771 C MET A 50 2.313 21.285 -4.325 1.00 0.00 C ATOM 772 O MET A 50 1.140 21.529 -4.604 1.00 0.00 O ATOM 773 CB MET A 50 3.662 22.979 -3.077 1.00 0.00 C ATOM 774 CG MET A 50 3.767 23.680 -1.722 1.00 0.00 C ATOM 775 SD MET A 50 3.408 25.419 -1.904 1.00 0.00 S ATOM 776 CE MET A 50 1.630 25.355 -2.046 1.00 0.00 C ATOM 0 H MET A 50 4.580 20.968 -1.949 1.00 0.00 H new ATOM 0 HA MET A 50 2.051 21.791 -2.262 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.661 22.777 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.169 23.636 -3.793 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.071 23.229 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.768 23.548 -1.312 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.312 25.946 -2.905 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.313 24.321 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.178 25.760 -1.140 1.00 0.00 H new ATOM 786 N ASP A 51 3.171 20.691 -5.141 1.00 0.00 N ATOM 787 CA ASP A 51 2.768 20.272 -6.473 1.00 0.00 C ATOM 788 C ASP A 51 3.542 19.010 -6.861 1.00 0.00 C ATOM 789 O ASP A 51 4.461 18.599 -6.154 1.00 0.00 O ATOM 790 CB ASP A 51 3.079 21.354 -7.509 1.00 0.00 C ATOM 791 CG ASP A 51 1.872 22.174 -7.969 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.802 22.009 -7.344 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.047 22.948 -8.935 1.00 0.00 O ATOM 0 H ASP A 51 4.143 20.490 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 51 1.694 20.086 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.823 22.033 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.532 20.882 -8.381 1.00 0.00 H new ATOM 798 N ASN A 52 3.142 18.431 -7.984 1.00 0.00 N ATOM 799 CA ASN A 52 3.786 17.224 -8.474 1.00 0.00 C ATOM 800 C ASN A 52 5.305 17.402 -8.413 1.00 0.00 C ATOM 801 O ASN A 52 5.818 18.487 -8.682 1.00 0.00 O ATOM 802 CB ASN A 52 3.400 16.946 -9.928 1.00 0.00 C ATOM 803 CG ASN A 52 1.883 16.999 -10.113 1.00 0.00 C ATOM 804 OD1 ASN A 52 1.285 18.054 -10.257 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.294 15.807 -10.100 1.00 0.00 N ATOM 0 H ASN A 52 2.380 18.775 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 52 3.463 16.391 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.875 17.679 -10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.772 15.966 -10.226 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.283 15.736 -10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.853 14.963 -9.975 1.00 0.00 H new ATOM 812 N PRO A 53 5.999 16.290 -8.049 1.00 0.00 N ATOM 813 CA PRO A 53 7.448 16.312 -7.950 1.00 0.00 C ATOM 814 C PRO A 53 8.093 16.303 -9.337 1.00 0.00 C ATOM 815 O PRO A 53 9.214 16.780 -9.508 1.00 0.00 O ATOM 816 CB PRO A 53 7.805 15.089 -7.121 1.00 0.00 C ATOM 817 CG PRO A 53 6.590 14.178 -7.179 1.00 0.00 C ATOM 818 CD PRO A 53 5.425 14.988 -7.724 1.00 0.00 C ATOM 0 HA PRO A 53 7.823 17.220 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.687 14.590 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.036 15.368 -6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.788 13.317 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.355 13.791 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.992 14.515 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.627 15.080 -6.987 1.00 0.00 H new ATOM 826 N GLN A 54 7.358 15.754 -10.293 1.00 0.00 N ATOM 827 CA GLN A 54 7.844 15.675 -11.660 1.00 0.00 C ATOM 828 C GLN A 54 7.888 17.070 -12.288 1.00 0.00 C ATOM 829 O GLN A 54 8.467 17.255 -13.357 1.00 0.00 O ATOM 830 CB GLN A 54 6.983 14.725 -12.494 1.00 0.00 C ATOM 831 CG GLN A 54 7.640 13.347 -12.608 1.00 0.00 C ATOM 832 CD GLN A 54 6.816 12.419 -13.502 1.00 0.00 C ATOM 833 OE1 GLN A 54 6.856 12.491 -14.719 1.00 0.00 O ATOM 834 NE2 GLN A 54 6.069 11.546 -12.833 1.00 0.00 N ATOM 0 H GLN A 54 6.429 15.359 -10.148 1.00 0.00 H new ATOM 0 HA GLN A 54 8.857 15.273 -11.643 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.998 14.626 -12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.833 15.144 -13.489 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.645 13.452 -13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.743 12.906 -11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.082 11.539 -11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.483 10.883 -13.340 1.00 0.00 H new ATOM 843 N ASN A 55 7.268 18.015 -11.597 1.00 0.00 N ATOM 844 CA ASN A 55 7.229 19.387 -12.074 1.00 0.00 C ATOM 845 C ASN A 55 8.171 20.244 -11.226 1.00 0.00 C ATOM 846 O ASN A 55 8.655 21.278 -11.684 1.00 0.00 O ATOM 847 CB ASN A 55 5.820 19.972 -11.954 1.00 0.00 C ATOM 848 CG ASN A 55 4.858 19.290 -12.928 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.242 18.789 -13.972 1.00 0.00 O ATOM 850 ND2 ASN A 55 3.589 19.298 -12.530 1.00 0.00 N ATOM 0 H ASN A 55 6.789 17.858 -10.711 1.00 0.00 H new ATOM 0 HA ASN A 55 7.532 19.389 -13.121 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.457 19.849 -10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.849 21.043 -12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.870 18.867 -13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.335 19.735 -11.644 1.00 0.00 H new ATOM 857 N LEU A 56 8.401 19.783 -10.006 1.00 0.00 N ATOM 858 CA LEU A 56 9.277 20.494 -9.090 1.00 0.00 C ATOM 859 C LEU A 56 10.710 20.448 -9.622 1.00 0.00 C ATOM 860 O LEU A 56 10.946 20.006 -10.745 1.00 0.00 O ATOM 861 CB LEU A 56 9.129 19.943 -7.671 1.00 0.00 C ATOM 862 CG LEU A 56 7.831 20.299 -6.944 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.968 20.079 -5.436 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.391 21.726 -7.276 1.00 0.00 C ATOM 0 H LEU A 56 7.996 18.926 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 56 8.993 21.545 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.212 18.857 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.967 20.303 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 56 7.047 19.629 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.031 20.340 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.202 19.032 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.769 20.708 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.466 21.954 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.167 22.427 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.226 21.815 -8.350 1.00 0.00 H new ATOM 876 N ALA A 57 11.632 20.911 -8.790 1.00 0.00 N ATOM 877 CA ALA A 57 13.036 20.928 -9.162 1.00 0.00 C ATOM 878 C ALA A 57 13.740 19.723 -8.537 1.00 0.00 C ATOM 879 O ALA A 57 13.122 18.949 -7.807 1.00 0.00 O ATOM 880 CB ALA A 57 13.662 22.257 -8.733 1.00 0.00 C ATOM 0 H ALA A 57 11.433 21.277 -7.859 1.00 0.00 H new ATOM 0 HA ALA A 57 13.147 20.849 -10.243 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.716 22.270 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.145 23.079 -9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.571 22.370 -7.653 1.00 0.00 H new ATOM 886 N VAL A 58 15.023 19.601 -8.845 1.00 0.00 N ATOM 887 CA VAL A 58 15.817 18.502 -8.322 1.00 0.00 C ATOM 888 C VAL A 58 16.173 18.786 -6.862 1.00 0.00 C ATOM 889 O VAL A 58 16.159 17.882 -6.028 1.00 0.00 O ATOM 890 CB VAL A 58 17.047 18.279 -9.205 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.670 19.612 -9.623 1.00 0.00 C ATOM 892 CG2 VAL A 58 18.074 17.391 -8.500 1.00 0.00 C ATOM 0 H VAL A 58 15.532 20.245 -9.450 1.00 0.00 H new ATOM 0 HA VAL A 58 15.246 17.574 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 58 16.722 17.763 -10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.542 19.425 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.939 20.196 -10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.973 20.166 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 58 18.938 17.248 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.392 17.868 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.625 16.423 -8.275 1.00 0.00 H new ATOM 902 N GLY A 59 16.484 20.047 -6.596 1.00 0.00 N ATOM 903 CA GLY A 59 16.844 20.461 -5.250 1.00 0.00 C ATOM 904 C GLY A 59 15.605 20.883 -4.457 1.00 0.00 C ATOM 905 O GLY A 59 15.693 21.718 -3.559 1.00 0.00 O ATOM 0 H GLY A 59 16.494 20.795 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.348 19.642 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.550 21.290 -5.297 1.00 0.00 H new ATOM 909 N ALA A 60 14.479 20.285 -4.819 1.00 0.00 N ATOM 910 CA ALA A 60 13.224 20.588 -4.152 1.00 0.00 C ATOM 911 C ALA A 60 13.040 19.641 -2.965 1.00 0.00 C ATOM 912 O ALA A 60 13.913 18.823 -2.678 1.00 0.00 O ATOM 913 CB ALA A 60 12.075 20.492 -5.158 1.00 0.00 C ATOM 0 H ALA A 60 14.410 19.593 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 60 13.233 21.606 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.134 20.719 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.238 21.205 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.034 19.483 -5.568 1.00 0.00 H new ATOM 919 N GLY A 61 11.899 19.782 -2.307 1.00 0.00 N ATOM 920 CA GLY A 61 11.590 18.949 -1.157 1.00 0.00 C ATOM 921 C GLY A 61 10.078 18.784 -0.991 1.00 0.00 C ATOM 922 O GLY A 61 9.315 19.043 -1.921 1.00 0.00 O ATOM 0 H GLY A 61 11.177 20.461 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.055 17.971 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.012 19.395 -0.256 1.00 0.00 H new ATOM 926 N ALA A 62 9.689 18.352 0.200 1.00 0.00 N ATOM 927 CA ALA A 62 8.282 18.149 0.500 1.00 0.00 C ATOM 928 C ALA A 62 7.838 19.164 1.555 1.00 0.00 C ATOM 929 O ALA A 62 8.638 19.591 2.386 1.00 0.00 O ATOM 930 CB ALA A 62 8.060 16.704 0.950 1.00 0.00 C ATOM 0 H ALA A 62 10.324 18.137 0.969 1.00 0.00 H new ATOM 0 HA ALA A 62 7.672 18.311 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.005 16.551 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.363 16.024 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.654 16.505 1.842 1.00 0.00 H new ATOM 936 N VAL A 63 6.564 19.520 1.488 1.00 0.00 N ATOM 937 CA VAL A 63 6.004 20.477 2.428 1.00 0.00 C ATOM 938 C VAL A 63 5.907 19.830 3.811 1.00 0.00 C ATOM 939 O VAL A 63 6.013 20.513 4.828 1.00 0.00 O ATOM 940 CB VAL A 63 4.658 20.990 1.912 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.357 22.387 2.460 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.616 20.979 0.383 1.00 0.00 C ATOM 0 H VAL A 63 5.903 19.163 0.798 1.00 0.00 H new ATOM 0 HA VAL A 63 6.654 21.347 2.521 1.00 0.00 H new ATOM 0 HB VAL A 63 3.882 20.315 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.395 22.728 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.323 22.351 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.139 23.078 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.648 21.348 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.407 21.620 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.763 19.961 0.022 1.00 0.00 H new ATOM 952 N GLY A 64 5.708 18.520 3.804 1.00 0.00 N ATOM 953 CA GLY A 64 5.596 17.773 5.045 1.00 0.00 C ATOM 954 C GLY A 64 5.818 16.278 4.807 1.00 0.00 C ATOM 955 O GLY A 64 5.570 15.776 3.712 1.00 0.00 O ATOM 0 H GLY A 64 5.621 17.957 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.327 18.143 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.610 17.933 5.482 1.00 0.00 H new ATOM 959 N SER A 65 6.284 15.609 5.852 1.00 0.00 N ATOM 960 CA SER A 65 6.542 14.181 5.770 1.00 0.00 C ATOM 961 C SER A 65 5.842 13.456 6.921 1.00 0.00 C ATOM 962 O SER A 65 5.751 13.984 8.029 1.00 0.00 O ATOM 963 CB SER A 65 8.045 13.891 5.797 1.00 0.00 C ATOM 964 OG SER A 65 8.666 14.400 6.974 1.00 0.00 O ATOM 0 H SER A 65 6.489 16.029 6.759 1.00 0.00 H new ATOM 0 HA SER A 65 6.145 13.815 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.208 12.815 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.515 14.333 4.919 1.00 0.00 H new ATOM 0 HG SER A 65 9.624 14.193 6.954 1.00 0.00 H new ATOM 970 N LEU A 66 5.365 12.257 6.620 1.00 0.00 N ATOM 971 CA LEU A 66 4.675 11.454 7.616 1.00 0.00 C ATOM 972 C LEU A 66 5.267 10.043 7.625 1.00 0.00 C ATOM 973 O LEU A 66 5.392 9.412 6.577 1.00 0.00 O ATOM 974 CB LEU A 66 3.164 11.487 7.377 1.00 0.00 C ATOM 975 CG LEU A 66 2.308 11.946 8.559 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.837 12.066 8.156 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.499 11.026 9.766 1.00 0.00 C ATOM 0 H LEU A 66 5.443 11.822 5.701 1.00 0.00 H new ATOM 0 HA LEU A 66 4.825 11.869 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.964 12.146 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.840 10.488 7.086 1.00 0.00 H new ATOM 0 HG LEU A 66 2.643 12.940 8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.250 12.394 9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.739 12.793 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.473 11.097 7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.879 11.375 10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.208 10.010 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.546 11.036 10.069 1.00 0.00 H new ATOM 989 N GLN A 67 5.614 9.590 8.821 1.00 0.00 N ATOM 990 CA GLN A 67 6.189 8.265 8.981 1.00 0.00 C ATOM 991 C GLN A 67 5.082 7.211 9.053 1.00 0.00 C ATOM 992 O GLN A 67 4.054 7.428 9.693 1.00 0.00 O ATOM 993 CB GLN A 67 7.087 8.203 10.218 1.00 0.00 C ATOM 994 CG GLN A 67 8.309 9.108 10.054 1.00 0.00 C ATOM 995 CD GLN A 67 9.274 8.544 9.009 1.00 0.00 C ATOM 996 OE1 GLN A 67 9.429 7.344 8.854 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.911 9.475 8.303 1.00 0.00 N ATOM 0 H GLN A 67 5.508 10.117 9.688 1.00 0.00 H new ATOM 0 HA GLN A 67 6.810 8.052 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.521 8.507 11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.411 7.176 10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.989 10.107 9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.822 9.209 11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.734 10.463 8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.576 9.201 7.580 1.00 0.00 H new ATOM 1006 N LEU A 68 5.330 6.093 8.387 1.00 0.00 N ATOM 1007 CA LEU A 68 4.367 5.005 8.368 1.00 0.00 C ATOM 1008 C LEU A 68 4.391 4.284 9.717 1.00 0.00 C ATOM 1009 O LEU A 68 3.344 3.909 10.243 1.00 0.00 O ATOM 1010 CB LEU A 68 4.624 4.083 7.174 1.00 0.00 C ATOM 1011 CG LEU A 68 4.359 4.684 5.793 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.456 3.616 4.702 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.015 5.415 5.762 1.00 0.00 C ATOM 0 H LEU A 68 6.183 5.917 7.857 1.00 0.00 H new ATOM 0 HA LEU A 68 3.358 5.393 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.662 3.754 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.003 3.194 7.287 1.00 0.00 H new ATOM 0 HG LEU A 68 5.133 5.424 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.263 4.070 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.455 3.180 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.719 2.836 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.851 5.833 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.214 4.714 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.021 6.219 6.498 1.00 0.00 H new ATOM 1025 N THR A 69 5.596 4.113 10.240 1.00 0.00 N ATOM 1026 CA THR A 69 5.770 3.444 11.518 1.00 0.00 C ATOM 1027 C THR A 69 4.761 3.975 12.539 1.00 0.00 C ATOM 1028 O THR A 69 4.377 3.262 13.465 1.00 0.00 O ATOM 1029 CB THR A 69 7.226 3.625 11.952 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.441 5.031 11.868 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.215 3.036 10.944 1.00 0.00 C ATOM 0 H THR A 69 6.462 4.426 9.802 1.00 0.00 H new ATOM 0 HA THR A 69 5.571 2.376 11.436 1.00 0.00 H new ATOM 0 HB THR A 69 7.376 3.156 12.924 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.939 5.482 12.579 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.233 3.191 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.028 1.968 10.833 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.089 3.529 9.980 1.00 0.00 H new ATOM 1039 N TYR A 70 4.361 5.221 12.335 1.00 0.00 N ATOM 1040 CA TYR A 70 3.404 5.855 13.226 1.00 0.00 C ATOM 1041 C TYR A 70 1.985 5.349 12.956 1.00 0.00 C ATOM 1042 O TYR A 70 1.350 4.773 13.838 1.00 0.00 O ATOM 1043 CB TYR A 70 3.467 7.352 12.915 1.00 0.00 C ATOM 1044 CG TYR A 70 4.799 8.008 13.281 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.831 7.241 13.783 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.969 9.367 13.109 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.086 7.859 14.127 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.224 9.985 13.454 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.220 9.200 13.945 1.00 0.00 C ATOM 1050 OH TYR A 70 8.405 9.784 14.271 1.00 0.00 O ATOM 0 H TYR A 70 4.682 5.809 11.566 1.00 0.00 H new ATOM 0 HA TYR A 70 3.642 5.634 14.266 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.281 7.500 11.851 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.665 7.858 13.452 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.698 6.178 13.918 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.162 9.967 12.716 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.902 7.271 14.520 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.370 11.047 13.326 1.00 0.00 H new ATOM 0 HH TYR A 70 8.357 10.745 14.088 1.00 0.00 H new ATOM 1060 N ILE A 71 1.530 5.583 11.734 1.00 0.00 N ATOM 1061 CA ILE A 71 0.198 5.159 11.338 1.00 0.00 C ATOM 1062 C ILE A 71 -0.005 3.695 11.736 1.00 0.00 C ATOM 1063 O ILE A 71 0.860 2.856 11.490 1.00 0.00 O ATOM 1064 CB ILE A 71 -0.029 5.429 9.850 1.00 0.00 C ATOM 1065 CG1 ILE A 71 -0.060 6.932 9.563 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.293 4.724 9.351 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.348 7.469 9.304 1.00 0.00 C ATOM 0 H ILE A 71 2.060 6.061 11.005 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.560 5.741 11.863 1.00 0.00 H new ATOM 0 HB ILE A 71 0.812 5.013 9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.693 7.128 8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.504 7.458 10.408 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.431 4.932 8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.193 3.649 9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.157 5.088 9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.298 8.539 9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.971 7.293 10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.780 6.958 8.444 1.00 0.00 H new ATOM 1079 N SER A 72 -1.154 3.434 12.343 1.00 0.00 N ATOM 1080 CA SER A 72 -1.481 2.087 12.777 1.00 0.00 C ATOM 1081 C SER A 72 -2.735 1.594 12.052 1.00 0.00 C ATOM 1082 O SER A 72 -2.799 0.441 11.627 1.00 0.00 O ATOM 1083 CB SER A 72 -1.688 2.031 14.292 1.00 0.00 C ATOM 1084 OG SER A 72 -0.479 1.735 14.985 1.00 0.00 O ATOM 0 H SER A 72 -1.869 4.133 12.544 1.00 0.00 H new ATOM 0 HA SER A 72 -0.644 1.435 12.528 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.081 2.986 14.640 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.436 1.274 14.528 1.00 0.00 H new ATOM 0 HG SER A 72 -0.652 1.710 15.949 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.702 2.492 11.931 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.950 2.163 11.265 1.00 0.00 C ATOM 1092 C LYS A 73 -5.464 3.395 10.516 1.00 0.00 C ATOM 1093 O LYS A 73 -5.248 4.525 10.952 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.956 1.587 12.264 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.357 1.518 11.653 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.177 2.757 12.019 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.651 2.691 13.473 1.00 0.00 C ATOM 1098 NZ LYS A 73 -9.234 3.987 13.887 1.00 0.00 N ATOM 0 H LYS A 73 -3.646 3.448 12.283 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.790 1.381 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.639 0.590 12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.977 2.205 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.281 1.435 10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.868 0.622 12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.575 3.653 11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.038 2.837 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.392 1.900 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.814 2.438 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.887 4.237 14.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.955 4.725 13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.271 3.910 13.907 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.133 3.135 9.403 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.679 4.208 8.590 1.00 0.00 C ATOM 1114 C VAL A 74 -8.168 3.952 8.348 1.00 0.00 C ATOM 1115 O VAL A 74 -8.533 3.188 7.456 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.877 4.343 7.294 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.383 5.519 6.456 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.382 4.481 7.587 1.00 0.00 C ATOM 0 H VAL A 74 -6.310 2.196 9.045 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.594 5.162 9.110 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.022 3.432 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.796 5.593 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.431 5.361 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.283 6.442 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.835 4.575 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.211 5.368 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.033 3.598 8.123 1.00 0.00 H new ATOM 1128 N SER A 75 -8.988 4.606 9.158 1.00 0.00 N ATOM 1129 CA SER A 75 -10.429 4.458 9.042 1.00 0.00 C ATOM 1130 C SER A 75 -11.055 5.778 8.589 1.00 0.00 C ATOM 1131 O SER A 75 -10.460 6.842 8.756 1.00 0.00 O ATOM 1132 CB SER A 75 -11.044 4.007 10.368 1.00 0.00 C ATOM 1133 OG SER A 75 -12.446 4.260 10.420 1.00 0.00 O ATOM 0 H SER A 75 -8.682 5.239 9.897 1.00 0.00 H new ATOM 0 HA SER A 75 -10.636 3.690 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.863 2.941 10.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.551 4.525 11.191 1.00 0.00 H new ATOM 0 HG SER A 75 -12.801 3.957 11.281 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.248 5.667 8.023 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.962 6.838 7.544 1.00 0.00 C ATOM 1141 C ILE A 76 -13.460 7.651 8.741 1.00 0.00 C ATOM 1142 O ILE A 76 -13.921 7.086 9.731 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.072 6.430 6.573 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.506 5.627 5.400 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.865 7.651 6.102 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -14.443 5.687 4.192 1.00 0.00 C ATOM 0 H ILE A 76 -12.738 4.783 7.885 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.294 7.484 6.974 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.768 5.779 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.527 6.019 5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.361 4.590 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.647 7.333 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.317 8.145 6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.196 8.346 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.017 5.108 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.414 5.272 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.566 6.724 3.878 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.350 8.965 8.610 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.784 9.862 9.668 1.00 0.00 C ATOM 1160 C ALA A 77 -15.288 9.692 9.890 1.00 0.00 C ATOM 1161 O ALA A 77 -16.067 9.723 8.938 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.406 11.300 9.306 1.00 0.00 C ATOM 0 H ALA A 77 -12.967 9.430 7.787 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.283 9.620 10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.732 11.973 10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.325 11.374 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.892 11.580 8.371 1.00 0.00 H new ATOM 1168 N THR A 78 -15.652 9.517 11.151 1.00 0.00 N ATOM 1169 CA THR A 78 -17.049 9.343 11.510 1.00 0.00 C ATOM 1170 C THR A 78 -17.781 10.685 11.471 1.00 0.00 C ATOM 1171 O THR A 78 -17.155 11.741 11.556 1.00 0.00 O ATOM 1172 CB THR A 78 -17.104 8.660 12.878 1.00 0.00 C ATOM 1173 OG1 THR A 78 -16.500 9.602 13.761 1.00 0.00 O ATOM 1174 CG2 THR A 78 -16.191 7.435 12.959 1.00 0.00 C ATOM 0 H THR A 78 -15.003 9.492 11.938 1.00 0.00 H new ATOM 0 HA THR A 78 -17.565 8.706 10.792 1.00 0.00 H new ATOM 0 HB THR A 78 -18.130 8.362 13.093 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.496 9.240 14.672 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.268 6.989 13.950 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.494 6.705 12.208 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.160 7.737 12.777 1.00 0.00 H new ATOM 1182 N PRO A 79 -19.132 10.600 11.339 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.957 11.795 11.287 1.00 0.00 C ATOM 1184 C PRO A 79 -20.098 12.424 12.675 1.00 0.00 C ATOM 1185 O PRO A 79 -21.188 12.445 13.243 1.00 0.00 O ATOM 1186 CB PRO A 79 -21.283 11.333 10.707 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.315 9.824 10.888 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.908 9.367 11.235 1.00 0.00 C ATOM 0 HA PRO A 79 -19.521 12.581 10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -22.120 11.806 11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.363 11.602 9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -22.012 9.549 11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.661 9.337 9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.893 8.809 12.171 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.504 8.709 10.465 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.978 12.922 13.180 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.964 13.550 14.490 1.00 0.00 C ATOM 1198 C LYS A 80 -17.591 14.181 14.733 1.00 0.00 C ATOM 1199 O LYS A 80 -17.495 15.265 15.306 1.00 0.00 O ATOM 1200 CB LYS A 80 -19.379 12.548 15.570 1.00 0.00 C ATOM 1201 CG LYS A 80 -20.295 13.205 16.604 1.00 0.00 C ATOM 1202 CD LYS A 80 -20.366 12.368 17.883 1.00 0.00 C ATOM 1203 CE LYS A 80 -21.117 13.116 18.987 1.00 0.00 C ATOM 1204 NZ LYS A 80 -22.241 12.299 19.494 1.00 0.00 N ATOM 0 H LYS A 80 -18.075 12.903 12.706 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.699 14.354 14.534 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.891 11.703 15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.492 12.152 16.064 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.927 14.204 16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -21.295 13.323 16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.865 11.422 17.675 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.358 12.129 18.222 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.434 13.353 19.803 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -21.493 14.064 18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -22.740 12.821 20.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -22.900 12.095 18.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.874 11.406 19.881 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.563 13.477 14.283 1.00 0.00 N ATOM 1219 CA GLN A 81 -15.201 13.955 14.444 1.00 0.00 C ATOM 1220 C GLN A 81 -14.970 15.199 13.585 1.00 0.00 C ATOM 1221 O GLN A 81 -14.612 16.257 14.101 1.00 0.00 O ATOM 1222 CB GLN A 81 -14.191 12.857 14.103 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.857 12.016 15.337 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.573 11.212 15.121 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.950 11.258 14.073 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -12.214 10.475 16.169 1.00 0.00 N ATOM 0 H GLN A 81 -16.646 12.579 13.807 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.053 14.227 15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.596 12.216 13.320 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.280 13.306 13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.742 12.666 16.204 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.683 11.338 15.554 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.782 10.483 17.016 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.371 9.902 16.125 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.184 15.032 12.288 1.00 0.00 N ATOM 1236 CA LYS A 82 -15.004 16.128 11.352 1.00 0.00 C ATOM 1237 C LYS A 82 -15.964 15.950 10.174 1.00 0.00 C ATOM 1238 O LYS A 82 -15.544 15.590 9.075 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.536 16.243 10.937 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.797 17.259 11.810 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.220 18.688 11.465 1.00 0.00 C ATOM 1242 CE LYS A 82 -12.445 19.707 12.302 1.00 0.00 C ATOM 1243 NZ LYS A 82 -13.341 20.794 12.757 1.00 0.00 N ATOM 0 H LYS A 82 -15.481 14.153 11.863 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.252 17.078 11.826 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.054 15.269 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.473 16.543 9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.003 17.059 12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.722 17.150 11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.047 18.876 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.289 18.807 11.640 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.997 19.213 13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.628 20.124 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.798 21.477 13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.749 21.276 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.106 20.394 13.337 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.268 16.217 10.450 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.291 16.090 9.426 1.00 0.00 C ATOM 1259 C PRO A 83 -18.225 17.257 8.438 1.00 0.00 C ATOM 1260 O PRO A 83 -17.471 18.207 8.642 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.605 16.030 10.187 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.312 16.590 11.570 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.802 16.645 11.739 1.00 0.00 C ATOM 0 HA PRO A 83 -18.162 15.200 8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.375 16.615 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -19.973 15.006 10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.745 17.584 11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.760 15.961 12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.468 17.652 11.991 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.470 15.988 12.543 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.026 17.147 7.387 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.068 18.181 6.367 1.00 0.00 C ATOM 1273 C LYS A 84 -17.886 17.999 5.414 1.00 0.00 C ATOM 1274 O LYS A 84 -17.410 18.964 4.817 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.131 19.567 7.012 1.00 0.00 C ATOM 1276 CG LYS A 84 -20.087 19.574 8.206 1.00 0.00 C ATOM 1277 CD LYS A 84 -20.994 20.806 8.175 1.00 0.00 C ATOM 1278 CE LYS A 84 -21.186 21.381 9.580 1.00 0.00 C ATOM 1279 NZ LYS A 84 -20.827 22.816 9.606 1.00 0.00 N ATOM 0 H LYS A 84 -19.650 16.358 7.220 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.976 18.091 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.135 19.866 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.459 20.300 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.695 18.670 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.516 19.562 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.560 21.565 7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.962 20.539 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -22.222 21.254 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -20.568 20.833 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.963 23.191 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.831 22.930 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -21.434 23.338 8.942 1.00 0.00 H new ATOM 1293 N THR A 85 -17.445 16.754 5.299 1.00 0.00 N ATOM 1294 CA THR A 85 -16.327 16.433 4.428 1.00 0.00 C ATOM 1295 C THR A 85 -16.649 15.202 3.580 1.00 0.00 C ATOM 1296 O THR A 85 -16.726 14.089 4.098 1.00 0.00 O ATOM 1297 CB THR A 85 -15.082 16.262 5.300 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.419 15.195 6.181 1.00 0.00 O ATOM 1299 CG2 THR A 85 -14.851 17.455 6.231 1.00 0.00 C ATOM 0 H THR A 85 -17.842 15.956 5.795 1.00 0.00 H new ATOM 0 HA THR A 85 -16.135 17.237 3.718 1.00 0.00 H new ATOM 0 HB THR A 85 -14.209 16.124 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.011 14.565 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 85 -13.955 17.283 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.723 18.360 5.638 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.710 17.573 6.892 1.00 0.00 H new ATOM 1307 N PRO A 86 -16.832 15.448 2.255 1.00 0.00 N ATOM 1308 CA PRO A 86 -17.143 14.372 1.329 1.00 0.00 C ATOM 1309 C PRO A 86 -15.903 13.525 1.036 1.00 0.00 C ATOM 1310 O PRO A 86 -14.994 13.971 0.337 1.00 0.00 O ATOM 1311 CB PRO A 86 -17.696 15.063 0.094 1.00 0.00 C ATOM 1312 CG PRO A 86 -17.244 16.512 0.189 1.00 0.00 C ATOM 1313 CD PRO A 86 -16.748 16.753 1.605 1.00 0.00 C ATOM 0 HA PRO A 86 -17.869 13.667 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -17.320 14.596 -0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -18.783 14.994 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.452 16.713 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.068 17.185 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -15.726 17.131 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.363 17.492 2.119 1.00 0.00 H new ATOM 1321 N PHE A 87 -15.906 12.319 1.584 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.793 11.406 1.390 1.00 0.00 C ATOM 1323 C PHE A 87 -13.568 11.857 2.189 1.00 0.00 C ATOM 1324 O PHE A 87 -12.571 12.288 1.612 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.451 11.429 -0.101 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.658 11.653 -1.013 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.676 10.752 -1.028 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.714 12.755 -1.809 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.797 10.960 -1.875 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.835 12.964 -2.655 1.00 0.00 C ATOM 1331 CZ PHE A 87 -17.853 12.062 -2.670 1.00 0.00 C ATOM 0 H PHE A 87 -16.662 11.953 2.163 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.067 10.407 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.720 12.216 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.976 10.485 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.632 9.878 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.906 13.471 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.605 10.243 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.879 13.839 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.706 12.221 -3.313 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.684 11.742 3.504 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.598 12.132 4.387 1.00 0.00 C ATOM 1343 C CYS A 88 -12.213 10.921 5.239 1.00 0.00 C ATOM 1344 O CYS A 88 -13.082 10.216 5.750 1.00 0.00 O ATOM 1345 CB CYS A 88 -12.977 13.339 5.249 1.00 0.00 C ATOM 1346 SG CYS A 88 -11.904 14.763 4.837 1.00 0.00 S ATOM 0 H CYS A 88 -14.513 11.385 3.979 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.739 12.446 3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.022 13.601 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.874 13.089 6.305 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.676 14.490 5.164 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.910 10.717 5.365 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.399 9.603 6.146 1.00 0.00 C ATOM 1354 C PHE A 89 -9.489 10.096 7.273 1.00 0.00 C ATOM 1355 O PHE A 89 -8.816 11.116 7.131 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.584 8.726 5.194 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.297 9.383 4.691 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.257 9.584 5.544 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.193 9.767 3.390 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.063 10.194 5.077 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -6.999 10.377 2.923 1.00 0.00 C ATOM 1362 CZ PHE A 89 -5.959 10.577 3.776 1.00 0.00 C ATOM 0 H PHE A 89 -10.193 11.304 4.939 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.226 9.054 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.330 7.795 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.205 8.463 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.339 9.280 6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.019 9.608 2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.237 10.354 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.917 10.682 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.050 11.040 3.420 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.497 9.348 8.367 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.680 9.696 9.517 1.00 0.00 C ATOM 1374 C VAL A 90 -7.549 8.675 9.662 1.00 0.00 C ATOM 1375 O VAL A 90 -7.801 7.476 9.764 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.555 9.800 10.768 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.723 9.604 12.037 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.304 11.134 10.804 1.00 0.00 C ATOM 0 H VAL A 90 -10.056 8.503 8.481 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.219 10.674 9.376 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.295 9.001 10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.369 9.683 12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.257 8.619 12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.950 10.371 12.087 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.918 11.182 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.586 11.954 10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.942 11.217 9.924 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.328 9.189 9.665 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.158 8.338 9.795 1.00 0.00 C ATOM 1390 C ILE A 91 -4.859 8.113 11.279 1.00 0.00 C ATOM 1391 O ILE A 91 -4.363 9.010 11.959 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.981 8.921 9.012 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.089 8.580 7.524 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.647 8.468 9.609 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.111 9.418 6.698 1.00 0.00 C ATOM 0 H ILE A 91 -6.124 10.185 9.579 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.349 7.359 9.356 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.019 10.007 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.882 7.520 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.108 8.758 7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.827 8.897 9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.579 8.804 10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.584 7.380 9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.208 9.156 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.336 10.476 6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.092 9.219 7.029 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.173 6.910 11.737 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.944 6.555 13.128 1.00 0.00 C ATOM 1409 C ASN A 92 -3.485 6.130 13.307 1.00 0.00 C ATOM 1410 O ASN A 92 -3.019 5.204 12.645 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.833 5.385 13.552 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.736 5.778 14.723 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.500 5.426 15.867 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.779 6.526 14.374 1.00 0.00 N ATOM 0 H ASN A 92 -5.584 6.169 11.170 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.178 7.425 13.741 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.444 5.064 12.709 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.211 4.536 13.837 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.441 6.841 15.083 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.917 6.785 13.397 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.805 6.827 14.206 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.409 6.533 14.481 1.00 0.00 C ATOM 1423 C ALA A 93 -1.220 6.342 15.988 1.00 0.00 C ATOM 1424 O ALA A 93 -2.088 5.790 16.661 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.531 7.653 13.920 1.00 0.00 C ATOM 0 H ALA A 93 -3.195 7.594 14.753 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.108 5.607 13.991 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.516 7.432 14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.681 7.728 12.843 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.802 8.598 14.390 1.00 0.00 H new ATOM 1431 N LEU A 94 -0.079 6.811 16.472 1.00 0.00 N ATOM 1432 CA LEU A 94 0.235 6.699 17.886 1.00 0.00 C ATOM 1433 C LEU A 94 -1.030 6.956 18.708 1.00 0.00 C ATOM 1434 O LEU A 94 -1.647 6.020 19.213 1.00 0.00 O ATOM 1435 CB LEU A 94 1.402 7.620 18.250 1.00 0.00 C ATOM 1436 CG LEU A 94 2.495 7.769 17.190 1.00 0.00 C ATOM 1437 CD1 LEU A 94 2.734 6.446 16.460 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.168 8.907 16.221 1.00 0.00 C ATOM 0 H LEU A 94 0.639 7.269 15.910 1.00 0.00 H new ATOM 0 HA LEU A 94 0.569 5.689 18.123 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.002 8.609 18.473 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.860 7.248 19.166 1.00 0.00 H new ATOM 0 HG LEU A 94 3.425 8.032 17.693 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.515 6.579 15.712 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.044 5.686 17.177 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.813 6.129 15.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.961 8.991 15.478 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.222 8.698 15.721 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.087 9.843 16.773 1.00 0.00 H new ATOM 1450 N SER A 95 -1.379 8.230 18.815 1.00 0.00 N ATOM 1451 CA SER A 95 -2.560 8.622 19.566 1.00 0.00 C ATOM 1452 C SER A 95 -3.142 9.913 18.988 1.00 0.00 C ATOM 1453 O SER A 95 -3.588 10.784 19.733 1.00 0.00 O ATOM 1454 CB SER A 95 -2.233 8.804 21.049 1.00 0.00 C ATOM 1455 OG SER A 95 -2.946 7.882 21.870 1.00 0.00 O ATOM 0 H SER A 95 -0.865 9.004 18.394 1.00 0.00 H new ATOM 0 HA SER A 95 -3.301 7.827 19.480 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.162 8.673 21.203 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.476 9.822 21.352 1.00 0.00 H new ATOM 0 HG SER A 95 -2.709 8.029 22.809 1.00 0.00 H new ATOM 1461 N GLN A 96 -3.120 9.995 17.666 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.641 11.165 16.980 1.00 0.00 C ATOM 1463 C GLN A 96 -4.422 10.746 15.733 1.00 0.00 C ATOM 1464 O GLN A 96 -4.239 9.642 15.224 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.515 12.137 16.621 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.965 13.122 15.540 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.845 14.106 15.195 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.732 14.017 15.686 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -2.201 15.047 14.326 1.00 0.00 N ATOM 0 H GLN A 96 -2.749 9.270 17.052 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.323 11.683 17.654 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.205 12.685 17.511 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.646 11.579 16.271 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.262 12.575 14.645 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.842 13.670 15.884 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.150 15.064 13.953 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.525 15.752 14.032 1.00 0.00 H new ATOM 1478 N ARG A 97 -5.277 11.650 15.278 1.00 0.00 N ATOM 1479 CA ARG A 97 -6.087 11.388 14.101 1.00 0.00 C ATOM 1480 C ARG A 97 -5.981 12.552 13.113 1.00 0.00 C ATOM 1481 O ARG A 97 -6.468 13.648 13.386 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.556 11.179 14.477 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.962 12.099 15.630 1.00 0.00 C ATOM 1484 CD ARG A 97 -9.416 12.552 15.484 1.00 0.00 C ATOM 1485 NE ARG A 97 -9.858 13.241 16.718 1.00 0.00 N ATOM 1486 CZ ARG A 97 -10.250 12.609 17.832 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.258 11.269 17.875 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -10.635 13.316 18.903 1.00 0.00 N ATOM 0 H ARG A 97 -5.426 12.565 15.703 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.710 10.477 13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.188 11.374 13.611 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.718 10.139 14.762 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.833 11.578 16.579 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.307 12.970 15.653 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.513 13.221 14.629 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.056 11.691 15.289 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.864 14.261 16.720 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.966 10.731 17.059 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.556 10.788 18.723 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.630 14.335 18.870 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.934 12.835 19.751 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.343 12.273 11.986 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.167 13.284 10.957 1.00 0.00 C ATOM 1504 C TYR A 98 -6.368 13.316 10.009 1.00 0.00 C ATOM 1505 O TYR A 98 -6.755 12.287 9.456 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.922 12.871 10.169 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.613 13.037 10.943 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.402 12.322 12.104 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.643 13.903 10.480 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -1.170 12.478 12.833 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.410 14.059 11.209 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.235 13.339 12.349 1.00 0.00 C ATOM 1513 OH TYR A 98 0.929 13.487 13.038 1.00 0.00 O ATOM 0 H TYR A 98 -4.942 11.362 11.763 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.070 14.274 11.404 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.024 11.828 9.868 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.870 13.463 9.255 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.161 11.645 12.466 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.808 14.463 9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.993 11.924 13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.358 14.733 10.858 1.00 0.00 H new ATOM 0 HH TYR A 98 0.730 13.679 13.978 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.925 14.508 9.851 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.074 14.687 8.980 1.00 0.00 C ATOM 1525 C PHE A 99 -7.640 15.159 7.590 1.00 0.00 C ATOM 1526 O PHE A 99 -7.270 16.318 7.412 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.955 15.763 9.618 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.648 15.315 10.907 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.265 14.105 10.962 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.646 16.128 11.997 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.908 13.690 12.158 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.288 15.713 13.193 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.906 14.503 13.249 1.00 0.00 C ATOM 0 H PHE A 99 -6.602 15.359 10.311 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.604 13.742 8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.343 16.639 9.832 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.713 16.072 8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.266 13.459 10.096 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.156 17.089 11.953 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.399 12.729 12.202 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.286 16.358 14.059 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.395 14.188 14.159 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.700 14.236 6.642 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.318 14.543 5.274 1.00 0.00 C ATOM 1545 C LEU A 100 -8.537 14.392 4.362 1.00 0.00 C ATOM 1546 O LEU A 100 -9.396 13.545 4.603 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.122 13.689 4.847 1.00 0.00 C ATOM 1548 CG LEU A 100 -4.888 13.764 5.749 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.031 12.829 6.952 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.611 13.485 4.956 1.00 0.00 C ATOM 0 H LEU A 100 -8.007 13.275 6.794 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.986 15.578 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.445 12.649 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.830 13.986 3.840 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.810 14.780 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.141 12.901 7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.907 13.116 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.147 11.803 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.749 13.545 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.664 12.488 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.508 14.224 4.161 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.574 15.227 3.334 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.674 15.197 2.385 1.00 0.00 C ATOM 1564 C GLN A 101 -9.173 14.768 1.005 1.00 0.00 C ATOM 1565 O GLN A 101 -8.016 15.003 0.660 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.376 16.554 2.316 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.834 16.397 1.880 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.332 17.655 1.166 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.124 17.850 -0.020 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.000 18.495 1.952 1.00 0.00 N ATOM 0 H GLN A 101 -7.860 15.928 3.137 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.404 14.464 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.335 17.038 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.851 17.203 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.928 15.537 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.458 16.198 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.139 18.270 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.374 19.364 1.569 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.069 14.146 0.252 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.732 13.683 -1.083 1.00 0.00 C ATOM 1581 C ALA A 102 -10.498 14.513 -2.115 1.00 0.00 C ATOM 1582 O ALA A 102 -11.122 15.516 -1.771 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.036 12.187 -1.197 1.00 0.00 C ATOM 0 H ALA A 102 -11.028 13.952 0.541 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.668 13.816 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.783 11.840 -2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.445 11.639 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.096 12.016 -1.011 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.425 14.065 -3.360 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.104 14.754 -4.445 1.00 0.00 C ATOM 1591 C ASN A 103 -12.447 14.073 -4.714 1.00 0.00 C ATOM 1592 O ASN A 103 -13.488 14.728 -4.724 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.280 14.701 -5.732 1.00 0.00 C ATOM 1594 CG ASN A 103 -8.845 15.170 -5.485 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -7.880 14.479 -5.768 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.758 16.382 -4.943 1.00 0.00 N ATOM 0 H ASN A 103 -9.906 13.233 -3.642 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.244 15.794 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.272 13.683 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.746 15.328 -6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.843 16.785 -4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.606 16.908 -4.731 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.380 12.767 -4.926 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.578 11.990 -5.195 1.00 0.00 C ATOM 1605 C ASP A 104 -13.698 10.869 -4.160 1.00 0.00 C ATOM 1606 O ASP A 104 -12.890 10.785 -3.236 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.518 11.348 -6.582 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.653 12.323 -7.753 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -14.427 13.292 -7.598 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.979 12.078 -8.777 1.00 0.00 O ATOM 0 H ASP A 104 -11.515 12.227 -4.917 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.434 12.663 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.571 10.816 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.311 10.603 -6.656 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.711 10.037 -4.350 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.946 8.926 -3.444 1.00 0.00 C ATOM 1617 C GLN A 105 -13.939 7.805 -3.707 1.00 0.00 C ATOM 1618 O GLN A 105 -13.672 6.987 -2.828 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.382 8.413 -3.568 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.509 6.996 -3.003 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.932 6.462 -3.176 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.694 6.913 -4.015 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.247 5.479 -2.337 1.00 0.00 N ATOM 0 H GLN A 105 -15.378 10.110 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.808 9.280 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.058 9.082 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.685 8.419 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.805 6.335 -3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.243 6.997 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.561 5.148 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.174 5.056 -2.372 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.407 7.803 -4.921 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.435 6.796 -5.310 1.00 0.00 C ATOM 1634 C LYS A 106 -11.098 7.093 -4.629 1.00 0.00 C ATOM 1635 O LYS A 106 -10.641 6.323 -3.786 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.342 6.702 -6.834 1.00 0.00 C ATOM 1637 CG LYS A 106 -12.277 5.243 -7.291 1.00 0.00 C ATOM 1638 CD LYS A 106 -12.092 5.151 -8.807 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.331 3.881 -9.191 1.00 0.00 C ATOM 1640 NZ LYS A 106 -10.341 4.171 -10.252 1.00 0.00 N ATOM 0 H LYS A 106 -13.631 8.483 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.752 5.810 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.206 7.190 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.457 7.235 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.452 4.737 -6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.192 4.726 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.066 5.158 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.549 6.026 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.826 3.474 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.031 3.121 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.833 3.298 -10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.831 4.538 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.662 4.881 -9.909 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.507 8.213 -5.021 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.231 8.622 -4.459 1.00 0.00 C ATOM 1656 C ASP A 107 -9.271 8.453 -2.939 1.00 0.00 C ATOM 1657 O ASP A 107 -8.289 8.026 -2.333 1.00 0.00 O ATOM 1658 CB ASP A 107 -8.941 10.093 -4.764 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.498 10.397 -5.169 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.013 9.714 -6.097 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -6.912 11.307 -4.543 1.00 0.00 O ATOM 0 H ASP A 107 -10.888 8.849 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.452 8.002 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.604 10.420 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.188 10.687 -3.884 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.415 8.797 -2.367 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.595 8.689 -0.929 1.00 0.00 C ATOM 1668 C LEU A 108 -10.356 7.241 -0.497 1.00 0.00 C ATOM 1669 O LEU A 108 -9.346 6.937 0.137 1.00 0.00 O ATOM 1670 CB LEU A 108 -11.964 9.234 -0.518 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.392 8.955 0.924 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.089 7.597 1.035 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.204 9.069 1.881 1.00 0.00 C ATOM 0 H LEU A 108 -11.227 9.151 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.862 9.304 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.965 10.313 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.716 8.814 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.116 9.715 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.383 7.423 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.975 7.590 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.406 6.810 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.536 8.866 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.438 8.347 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.790 10.076 1.829 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.300 6.385 -0.858 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.205 4.976 -0.516 1.00 0.00 C ATOM 1687 C LYS A 109 -9.802 4.467 -0.856 1.00 0.00 C ATOM 1688 O LYS A 109 -9.077 4.001 0.022 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.327 4.183 -1.190 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.427 3.830 -0.187 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.721 2.329 -0.201 1.00 0.00 C ATOM 1692 CE LYS A 109 -15.066 2.027 0.463 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.882 1.116 1.615 1.00 0.00 N ATOM 0 H LYS A 109 -12.135 6.640 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.346 4.834 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.749 4.767 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.921 3.270 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.123 4.135 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.334 4.384 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.729 1.966 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.926 1.794 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.530 2.955 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.743 1.574 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.804 0.921 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.459 0.224 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.253 1.562 2.313 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.462 4.573 -2.132 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.160 4.130 -2.599 1.00 0.00 C ATOM 1709 C ASP A 110 -7.093 4.535 -1.580 1.00 0.00 C ATOM 1710 O ASP A 110 -6.383 3.683 -1.047 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.805 4.778 -3.938 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.856 4.609 -5.037 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -9.931 4.060 -4.714 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.561 5.034 -6.175 1.00 0.00 O ATOM 0 H ASP A 110 -10.066 4.960 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.196 3.047 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.638 5.843 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.863 4.358 -4.289 1.00 0.00 H new ATOM 1719 N TRP A 111 -7.013 5.835 -1.339 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.044 6.363 -0.394 1.00 0.00 C ATOM 1721 C TRP A 111 -6.141 5.540 0.892 1.00 0.00 C ATOM 1722 O TRP A 111 -5.174 4.896 1.296 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.263 7.860 -0.163 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.380 8.759 -1.030 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.748 9.529 -2.063 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.955 8.951 -0.896 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.670 10.201 -2.603 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.545 9.838 -1.871 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.044 8.394 0.018 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.215 10.247 -2.024 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.718 8.813 -0.149 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.289 9.705 -1.125 1.00 0.00 C ATOM 0 H TRP A 111 -7.604 6.539 -1.782 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.032 6.274 -0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.309 8.098 -0.358 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.075 8.087 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.761 9.613 -2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.694 10.845 -3.393 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.343 7.698 0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.919 10.944 -2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.977 8.415 0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.246 9.979 -1.189 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.318 5.587 1.500 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.553 4.853 2.732 1.00 0.00 C ATOM 1745 C VAL A 112 -7.004 3.432 2.587 1.00 0.00 C ATOM 1746 O VAL A 112 -6.374 2.910 3.505 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.042 4.886 3.083 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.331 4.037 4.323 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.528 6.323 3.278 1.00 0.00 C ATOM 0 H VAL A 112 -8.118 6.122 1.162 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.026 5.321 3.563 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.593 4.457 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.396 4.077 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.039 3.004 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.764 4.424 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.589 6.318 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.968 6.790 4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.374 6.887 2.358 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.263 2.847 1.427 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.803 1.497 1.150 1.00 0.00 C ATOM 1761 C GLU A 113 -5.276 1.465 1.060 1.00 0.00 C ATOM 1762 O GLU A 113 -4.630 0.638 1.702 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.439 0.953 -0.131 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.955 1.154 -0.118 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.682 -0.122 -0.546 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.293 -1.195 -0.036 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.610 0.003 -1.374 1.00 0.00 O ATOM 0 H GLU A 113 -7.786 3.283 0.668 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.113 0.852 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.009 1.457 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.210 -0.108 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.278 1.443 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.223 1.971 -0.788 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.743 2.376 0.260 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.304 2.462 0.078 1.00 0.00 C ATOM 1776 C ALA A 114 -2.634 2.679 1.437 1.00 0.00 C ATOM 1777 O ALA A 114 -1.598 2.083 1.724 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.981 3.580 -0.916 1.00 0.00 C ATOM 0 H ALA A 114 -5.282 3.061 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.914 1.533 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.902 3.645 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.456 3.364 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.355 4.529 -0.531 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.255 3.534 2.236 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.732 3.837 3.558 1.00 0.00 C ATOM 1786 C LEU A 115 -2.966 2.640 4.481 1.00 0.00 C ATOM 1787 O LEU A 115 -2.349 2.538 5.540 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.329 5.145 4.083 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.801 6.429 3.440 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.811 7.569 3.584 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.430 6.802 4.006 1.00 0.00 C ATOM 0 H LEU A 115 -4.115 4.026 1.994 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.655 4.000 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.409 5.110 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.148 5.199 5.157 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.670 6.248 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.411 8.470 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.745 7.292 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.997 7.759 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.078 7.718 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.511 6.958 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.723 5.996 3.808 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.860 1.764 4.046 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.183 0.577 4.820 1.00 0.00 C ATOM 1805 C ASN A 116 -3.244 -0.561 4.417 1.00 0.00 C ATOM 1806 O ASN A 116 -3.115 -1.549 5.138 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.620 0.121 4.555 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.533 0.477 5.730 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.291 0.116 6.870 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.594 1.203 5.389 1.00 0.00 N ATOM 0 H ASN A 116 -4.371 1.852 3.168 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.071 0.822 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.993 0.591 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.639 -0.956 4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.265 1.491 6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.737 1.471 4.415 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.612 -0.385 3.266 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.689 -1.385 2.758 1.00 0.00 C ATOM 1819 C GLN A 117 -0.248 -0.999 3.099 1.00 0.00 C ATOM 1820 O GLN A 117 0.473 -1.772 3.727 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.862 -1.576 1.250 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.248 -2.138 0.925 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.148 -3.561 0.372 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.077 -4.133 0.250 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.320 -4.099 0.047 1.00 0.00 N ATOM 0 H GLN A 117 -2.721 0.436 2.671 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.914 -2.336 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.723 -0.622 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.094 -2.252 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.865 -2.136 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.743 -1.495 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.179 -3.565 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.359 -5.046 -0.330 1.00 0.00 H new ATOM 1834 N ALA A 118 0.128 0.197 2.670 1.00 0.00 N ATOM 1835 CA ALA A 118 1.470 0.695 2.922 1.00 0.00 C ATOM 1836 C ALA A 118 1.834 0.446 4.387 1.00 0.00 C ATOM 1837 O ALA A 118 2.982 0.137 4.701 1.00 0.00 O ATOM 1838 CB ALA A 118 1.544 2.176 2.546 1.00 0.00 C ATOM 0 H ALA A 118 -0.473 0.836 2.150 1.00 0.00 H new ATOM 0 HA ALA A 118 2.198 0.166 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.550 2.550 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.305 2.295 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.829 2.740 3.146 1.00 0.00 H new ATOM 1844 N SER A 119 0.835 0.591 5.245 1.00 0.00 N ATOM 1845 CA SER A 119 1.036 0.387 6.670 1.00 0.00 C ATOM 1846 C SER A 119 1.231 -1.102 6.962 1.00 0.00 C ATOM 1847 O SER A 119 2.060 -1.472 7.792 1.00 0.00 O ATOM 1848 CB SER A 119 -0.142 0.936 7.477 1.00 0.00 C ATOM 1849 OG SER A 119 -0.170 0.415 8.803 1.00 0.00 O ATOM 0 H SER A 119 -0.116 0.847 4.981 1.00 0.00 H new ATOM 0 HA SER A 119 1.932 0.931 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.079 2.023 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.075 0.689 6.971 1.00 0.00 H new ATOM 0 HG SER A 119 -0.935 0.791 9.286 1.00 0.00 H new ATOM 1855 N LYS A 120 0.454 -1.917 6.263 1.00 0.00 N ATOM 1856 CA LYS A 120 0.532 -3.357 6.437 1.00 0.00 C ATOM 1857 C LYS A 120 1.608 -3.922 5.507 1.00 0.00 C ATOM 1858 O LYS A 120 1.697 -5.134 5.320 1.00 0.00 O ATOM 1859 CB LYS A 120 -0.845 -3.995 6.243 1.00 0.00 C ATOM 1860 CG LYS A 120 -1.627 -4.024 7.558 1.00 0.00 C ATOM 1861 CD LYS A 120 -1.412 -5.348 8.294 1.00 0.00 C ATOM 1862 CE LYS A 120 -1.469 -5.148 9.810 1.00 0.00 C ATOM 1863 NZ LYS A 120 -0.203 -5.587 10.438 1.00 0.00 N ATOM 0 H LYS A 120 -0.232 -1.607 5.575 1.00 0.00 H new ATOM 0 HA LYS A 120 0.831 -3.602 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.406 -3.436 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.729 -5.010 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.310 -3.196 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.689 -3.884 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.174 -6.065 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -0.447 -5.771 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -1.650 -4.097 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -2.303 -5.713 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -0.258 -5.445 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.047 -6.595 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 0.587 -5.030 10.053 1.00 0.00 H new ATOM 1877 N SER A 121 2.397 -3.016 4.949 1.00 0.00 N ATOM 1878 CA SER A 121 3.464 -3.409 4.044 1.00 0.00 C ATOM 1879 C SER A 121 4.145 -4.679 4.557 1.00 0.00 C ATOM 1880 O SER A 121 4.569 -5.522 3.768 1.00 0.00 O ATOM 1881 CB SER A 121 4.489 -2.285 3.881 1.00 0.00 C ATOM 1882 OG SER A 121 5.554 -2.657 3.010 1.00 0.00 O ATOM 0 H SER A 121 2.319 -2.011 5.106 1.00 0.00 H new ATOM 0 HA SER A 121 3.026 -3.610 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.994 -1.396 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 121 4.895 -2.020 4.857 1.00 0.00 H new ATOM 0 HG SER A 121 6.187 -1.913 2.930 1.00 0.00 H new ATOM 1888 N GLY A 122 4.228 -4.776 5.875 1.00 0.00 N ATOM 1889 CA GLY A 122 4.850 -5.929 6.503 1.00 0.00 C ATOM 1890 C GLY A 122 4.084 -7.212 6.175 1.00 0.00 C ATOM 1891 O GLY A 122 2.891 -7.168 5.877 1.00 0.00 O ATOM 0 H GLY A 122 3.875 -4.075 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 122 5.882 -6.020 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 122 4.882 -5.786 7.583 1.00 0.00 H new ATOM 1895 N PRO A 123 4.818 -8.355 6.244 1.00 0.00 N ATOM 1896 CA PRO A 123 4.220 -9.648 5.958 1.00 0.00 C ATOM 1897 C PRO A 123 3.332 -10.109 7.116 1.00 0.00 C ATOM 1898 O PRO A 123 3.323 -9.492 8.180 1.00 0.00 O ATOM 1899 CB PRO A 123 5.395 -10.577 5.704 1.00 0.00 C ATOM 1900 CG PRO A 123 6.609 -9.891 6.310 1.00 0.00 C ATOM 1901 CD PRO A 123 6.233 -8.445 6.593 1.00 0.00 C ATOM 0 HA PRO A 123 3.556 -9.623 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.228 -11.552 6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.535 -10.747 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 123 6.913 -10.393 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 123 7.456 -9.939 5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.400 -8.190 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 123 6.832 -7.756 5.998 1.00 0.00 H new ATOM 1909 N SER A 124 2.606 -11.189 6.868 1.00 0.00 N ATOM 1910 CA SER A 124 1.717 -11.740 7.877 1.00 0.00 C ATOM 1911 C SER A 124 2.437 -11.817 9.224 1.00 0.00 C ATOM 1912 O SER A 124 1.952 -11.288 10.223 1.00 0.00 O ATOM 1913 CB SER A 124 1.208 -13.123 7.466 1.00 0.00 C ATOM 1914 OG SER A 124 0.196 -13.045 6.466 1.00 0.00 O ATOM 0 H SER A 124 2.615 -11.697 5.984 1.00 0.00 H new ATOM 0 HA SER A 124 0.855 -11.079 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.041 -13.719 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.813 -13.639 8.341 1.00 0.00 H new ATOM 0 HG SER A 124 -0.101 -13.949 6.230 1.00 0.00 H new ATOM 1920 N SER A 125 3.584 -12.481 9.209 1.00 0.00 N ATOM 1921 CA SER A 125 4.376 -12.635 10.417 1.00 0.00 C ATOM 1922 C SER A 125 3.552 -13.338 11.497 1.00 0.00 C ATOM 1923 O SER A 125 2.323 -13.326 11.451 1.00 0.00 O ATOM 1924 CB SER A 125 4.873 -11.280 10.926 1.00 0.00 C ATOM 1925 OG SER A 125 6.147 -10.941 10.386 1.00 0.00 O ATOM 0 H SER A 125 3.984 -12.918 8.379 1.00 0.00 H new ATOM 0 HA SER A 125 5.247 -13.245 10.179 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.151 -10.507 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.935 -11.302 12.014 1.00 0.00 H new ATOM 0 HG SER A 125 6.428 -10.069 10.734 1.00 0.00 H new ATOM 1931 N GLY A 126 4.262 -13.934 12.444 1.00 0.00 N ATOM 1932 CA GLY A 126 3.612 -14.641 13.534 1.00 0.00 C ATOM 1933 C GLY A 126 2.776 -13.684 14.387 1.00 0.00 C ATOM 1934 O GLY A 126 2.888 -13.679 15.611 1.00 0.00 O ATOM 0 H GLY A 126 5.281 -13.942 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.974 -15.428 13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.363 -15.127 14.156 1.00 0.00 H new TER 1938 GLY A 126