USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 49 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 52 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -169:sc= 0.107 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 80:sc= 0.102 USER MOD Set 3.1: A 36 ASN : amide:sc= -2.34! K(o=-3.3!,f=-4.2) USER MOD Set 3.2: A 39 THR OG1 : rot -170:sc= -0.94 USER MOD Set 4.1: A 1 MET N :NH3+ 178:sc= 0.525 (180deg=-0.209) USER MOD Set 4.2: A 78 GLN : amide:sc= 0.604 K(o=1.1,f=-4.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 48:sc= 0.0436 USER MOD Single : A 4 LYS NZ :NH3+ -137:sc= 0.423 (180deg=0.0814) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0011) USER MOD Single : A 21 SER OG : rot -98:sc= 0.57 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.12) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 51 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 25:sc= 0.738 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00767 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 GLN : amide:sc= -0.181 K(o=-0.18,f=-3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -142:sc= 0.759 (180deg=-0.285) USER MOD Single : A 75 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -0.171 X(o=-0.17,f=-0.57) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot -64:sc= 1.15 USER MOD Single : A 92 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.0036) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.019) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.647 11.946 -17.252 1.00 0.00 N ATOM 2 CA MET A 1 8.658 11.060 -16.070 1.00 0.00 C ATOM 3 C MET A 1 7.983 11.749 -14.896 1.00 0.00 C ATOM 4 O MET A 1 8.442 12.796 -14.441 1.00 0.00 O ATOM 5 CB MET A 1 10.091 10.679 -15.696 1.00 0.00 C ATOM 6 CG MET A 1 10.791 9.833 -16.749 1.00 0.00 C ATOM 7 SD MET A 1 12.473 9.390 -16.278 1.00 0.00 S ATOM 8 CE MET A 1 12.984 8.449 -17.716 1.00 0.00 C ATOM 0 H1 MET A 1 9.141 11.480 -18.040 1.00 0.00 H new ATOM 0 H2 MET A 1 7.664 12.144 -17.528 1.00 0.00 H new ATOM 0 H3 MET A 1 9.129 12.838 -17.021 1.00 0.00 H new ATOM 0 HA MET A 1 8.109 10.151 -16.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.668 11.589 -15.530 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.078 10.133 -14.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.215 8.924 -16.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.814 10.379 -17.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.008 8.103 -17.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.325 7.590 -17.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.930 9.081 -18.602 1.00 0.00 H new ATOM 20 N PRO A 2 6.873 11.185 -14.404 1.00 0.00 N ATOM 21 CA PRO A 2 6.144 11.747 -13.267 1.00 0.00 C ATOM 22 C PRO A 2 6.872 11.512 -11.946 1.00 0.00 C ATOM 23 O PRO A 2 7.570 10.510 -11.779 1.00 0.00 O ATOM 24 CB PRO A 2 4.814 10.992 -13.291 1.00 0.00 C ATOM 25 CG PRO A 2 5.129 9.685 -13.936 1.00 0.00 C ATOM 26 CD PRO A 2 6.239 9.955 -14.917 1.00 0.00 C ATOM 0 HA PRO A 2 6.033 12.829 -13.343 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.421 10.852 -12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.059 11.539 -13.855 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.437 8.949 -13.193 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.253 9.280 -14.442 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.947 9.127 -14.957 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.854 10.095 -15.927 1.00 0.00 H new ATOM 34 N THR A 3 6.719 12.442 -11.017 1.00 0.00 N ATOM 35 CA THR A 3 7.331 12.314 -9.706 1.00 0.00 C ATOM 36 C THR A 3 6.363 11.672 -8.715 1.00 0.00 C ATOM 37 O THR A 3 5.375 12.281 -8.303 1.00 0.00 O ATOM 38 CB THR A 3 7.795 13.685 -9.181 1.00 0.00 C ATOM 39 OG1 THR A 3 6.799 14.680 -9.458 1.00 0.00 O ATOM 40 CG2 THR A 3 9.115 14.093 -9.821 1.00 0.00 C ATOM 0 H THR A 3 6.175 13.295 -11.148 1.00 0.00 H new ATOM 0 HA THR A 3 8.203 11.668 -9.807 1.00 0.00 H new ATOM 0 HB THR A 3 7.940 13.605 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.918 14.343 -9.193 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.422 15.065 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.878 13.351 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.991 14.156 -10.902 1.00 0.00 H new ATOM 48 N LYS A 4 6.649 10.434 -8.347 1.00 0.00 N ATOM 49 CA LYS A 4 5.790 9.691 -7.443 1.00 0.00 C ATOM 50 C LYS A 4 6.625 8.782 -6.557 1.00 0.00 C ATOM 51 O LYS A 4 7.211 7.808 -7.028 1.00 0.00 O ATOM 52 CB LYS A 4 4.770 8.862 -8.232 1.00 0.00 C ATOM 53 CG LYS A 4 3.767 8.135 -7.353 1.00 0.00 C ATOM 54 CD LYS A 4 2.838 9.103 -6.641 1.00 0.00 C ATOM 55 CE LYS A 4 1.893 8.376 -5.700 1.00 0.00 C ATOM 56 NZ LYS A 4 2.585 7.893 -4.475 1.00 0.00 N ATOM 0 H LYS A 4 7.473 9.922 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 4 5.251 10.401 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.232 9.518 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.302 8.132 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.179 7.449 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.298 7.532 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.427 9.828 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.261 9.663 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.079 9.044 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.444 7.530 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.269 6.927 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.613 7.893 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.358 8.521 -3.678 1.00 0.00 H new ATOM 70 N THR A 5 6.689 9.113 -5.282 1.00 0.00 N ATOM 71 CA THR A 5 7.452 8.321 -4.332 1.00 0.00 C ATOM 72 C THR A 5 6.598 7.183 -3.777 1.00 0.00 C ATOM 73 O THR A 5 5.363 7.247 -3.813 1.00 0.00 O ATOM 74 CB THR A 5 7.941 9.198 -3.166 1.00 0.00 C ATOM 75 OG1 THR A 5 8.182 10.530 -3.639 1.00 0.00 O ATOM 76 CG2 THR A 5 9.224 8.639 -2.561 1.00 0.00 C ATOM 0 H THR A 5 6.222 9.925 -4.878 1.00 0.00 H new ATOM 0 HA THR A 5 8.312 7.906 -4.857 1.00 0.00 H new ATOM 0 HB THR A 5 7.170 9.207 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.492 11.090 -2.897 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.547 9.278 -1.739 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.041 7.632 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.002 8.607 -3.324 1.00 0.00 H new ATOM 84 N TYR A 6 7.258 6.146 -3.284 1.00 0.00 N ATOM 85 CA TYR A 6 6.585 5.027 -2.642 1.00 0.00 C ATOM 86 C TYR A 6 7.400 4.523 -1.460 1.00 0.00 C ATOM 87 O TYR A 6 8.600 4.269 -1.582 1.00 0.00 O ATOM 88 CB TYR A 6 6.347 3.886 -3.636 1.00 0.00 C ATOM 89 CG TYR A 6 5.004 3.950 -4.330 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.869 3.428 -3.722 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.868 4.526 -5.587 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.637 3.483 -4.343 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.637 4.584 -6.214 1.00 0.00 C ATOM 94 CZ TYR A 6 2.525 4.059 -5.587 1.00 0.00 C ATOM 95 OH TYR A 6 1.296 4.119 -6.203 1.00 0.00 O ATOM 0 H TYR A 6 8.274 6.056 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 6 5.618 5.379 -2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.135 3.902 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.428 2.935 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.952 2.971 -2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.737 4.935 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.765 3.075 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.546 5.038 -7.190 1.00 0.00 H new ATOM 0 HH TYR A 6 1.388 4.557 -7.075 1.00 0.00 H new ATOM 105 N SER A 7 6.743 4.396 -0.317 1.00 0.00 N ATOM 106 CA SER A 7 7.391 3.930 0.895 1.00 0.00 C ATOM 107 C SER A 7 7.765 2.455 0.785 1.00 0.00 C ATOM 108 O SER A 7 7.035 1.661 0.186 1.00 0.00 O ATOM 109 CB SER A 7 6.471 4.164 2.098 1.00 0.00 C ATOM 110 OG SER A 7 5.153 3.697 1.843 1.00 0.00 O ATOM 0 H SER A 7 5.752 4.612 -0.206 1.00 0.00 H new ATOM 0 HA SER A 7 8.312 4.496 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.876 3.654 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.442 5.228 2.334 1.00 0.00 H new ATOM 0 HG SER A 7 4.591 3.859 2.629 1.00 0.00 H new ATOM 116 N GLU A 8 8.904 2.098 1.370 1.00 0.00 N ATOM 117 CA GLU A 8 9.388 0.725 1.334 1.00 0.00 C ATOM 118 C GLU A 8 8.372 -0.210 1.970 1.00 0.00 C ATOM 119 O GLU A 8 8.133 -1.308 1.476 1.00 0.00 O ATOM 120 CB GLU A 8 10.719 0.602 2.075 1.00 0.00 C ATOM 121 CG GLU A 8 11.821 1.490 1.524 1.00 0.00 C ATOM 122 CD GLU A 8 13.112 1.349 2.304 1.00 0.00 C ATOM 123 OE1 GLU A 8 13.097 1.589 3.530 1.00 0.00 O ATOM 124 OE2 GLU A 8 14.144 0.982 1.701 1.00 0.00 O ATOM 0 H GLU A 8 9.510 2.744 1.876 1.00 0.00 H new ATOM 0 HA GLU A 8 9.534 0.447 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.561 0.847 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.050 -0.436 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.000 1.238 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.495 2.530 1.549 1.00 0.00 H new ATOM 131 N GLU A 9 7.765 0.254 3.054 1.00 0.00 N ATOM 132 CA GLU A 9 6.812 -0.528 3.817 1.00 0.00 C ATOM 133 C GLU A 9 5.658 -1.014 2.945 1.00 0.00 C ATOM 134 O GLU A 9 5.241 -2.169 3.041 1.00 0.00 O ATOM 135 CB GLU A 9 6.275 0.322 4.961 1.00 0.00 C ATOM 136 CG GLU A 9 7.360 1.020 5.763 1.00 0.00 C ATOM 137 CD GLU A 9 8.421 0.067 6.271 1.00 0.00 C ATOM 138 OE1 GLU A 9 8.202 -0.580 7.316 1.00 0.00 O ATOM 139 OE2 GLU A 9 9.484 -0.037 5.633 1.00 0.00 O ATOM 0 H GLU A 9 7.924 1.190 3.428 1.00 0.00 H new ATOM 0 HA GLU A 9 7.322 -1.408 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.595 1.072 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.691 -0.311 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.831 1.782 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.905 1.534 6.610 1.00 0.00 H new ATOM 146 N PHE A 10 5.165 -0.129 2.083 1.00 0.00 N ATOM 147 CA PHE A 10 4.058 -0.456 1.193 1.00 0.00 C ATOM 148 C PHE A 10 4.501 -1.479 0.151 1.00 0.00 C ATOM 149 O PHE A 10 3.812 -2.465 -0.108 1.00 0.00 O ATOM 150 CB PHE A 10 3.551 0.817 0.502 1.00 0.00 C ATOM 151 CG PHE A 10 2.369 0.599 -0.398 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.089 0.534 0.128 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.537 0.462 -1.766 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.003 0.342 -0.695 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.450 0.268 -2.595 1.00 0.00 C ATOM 156 CZ PHE A 10 0.178 0.205 -2.057 1.00 0.00 C ATOM 0 H PHE A 10 5.517 0.823 1.983 1.00 0.00 H new ATOM 0 HA PHE A 10 3.248 -0.888 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.283 1.549 1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.364 1.248 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.944 0.635 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.530 0.507 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.997 0.299 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.593 0.166 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.674 0.049 -2.702 1.00 0.00 H new ATOM 166 N LYS A 11 5.675 -1.241 -0.416 1.00 0.00 N ATOM 167 CA LYS A 11 6.226 -2.105 -1.449 1.00 0.00 C ATOM 168 C LYS A 11 6.561 -3.483 -0.882 1.00 0.00 C ATOM 169 O LYS A 11 6.363 -4.497 -1.541 1.00 0.00 O ATOM 170 CB LYS A 11 7.470 -1.447 -2.052 1.00 0.00 C ATOM 171 CG LYS A 11 7.191 -0.058 -2.613 1.00 0.00 C ATOM 172 CD LYS A 11 8.465 0.728 -2.873 1.00 0.00 C ATOM 173 CE LYS A 11 9.272 0.147 -4.015 1.00 0.00 C ATOM 174 NZ LYS A 11 10.521 0.917 -4.249 1.00 0.00 N ATOM 0 H LYS A 11 6.269 -0.448 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 11 5.481 -2.243 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.244 -1.376 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.863 -2.082 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.628 -0.151 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.563 0.494 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.211 1.764 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.074 0.739 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.520 -0.891 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.669 0.145 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.953 0.613 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.299 1.932 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.186 0.746 -3.468 1.00 0.00 H new ATOM 188 N ARG A 12 7.052 -3.506 0.354 1.00 0.00 N ATOM 189 CA ARG A 12 7.380 -4.756 1.036 1.00 0.00 C ATOM 190 C ARG A 12 6.127 -5.559 1.350 1.00 0.00 C ATOM 191 O ARG A 12 6.126 -6.786 1.258 1.00 0.00 O ATOM 192 CB ARG A 12 8.144 -4.475 2.331 1.00 0.00 C ATOM 193 CG ARG A 12 9.545 -3.938 2.111 1.00 0.00 C ATOM 194 CD ARG A 12 10.216 -3.596 3.427 1.00 0.00 C ATOM 195 NE ARG A 12 11.558 -3.057 3.234 1.00 0.00 N ATOM 196 CZ ARG A 12 12.237 -2.401 4.174 1.00 0.00 C ATOM 197 NH1 ARG A 12 11.695 -2.193 5.369 1.00 0.00 N ATOM 198 NH2 ARG A 12 13.457 -1.947 3.916 1.00 0.00 N ATOM 0 H ARG A 12 7.233 -2.668 0.907 1.00 0.00 H new ATOM 0 HA ARG A 12 8.008 -5.341 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.579 -3.758 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.205 -5.395 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.141 -4.679 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.502 -3.050 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.608 -2.869 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.270 -4.490 4.049 1.00 0.00 H new ATOM 0 HE ARG A 12 12.003 -3.190 2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.756 -2.536 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.218 -1.690 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.875 -2.100 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.977 -1.445 4.636 1.00 0.00 H new ATOM 212 N ASP A 13 5.057 -4.864 1.717 1.00 0.00 N ATOM 213 CA ASP A 13 3.797 -5.521 2.053 1.00 0.00 C ATOM 214 C ASP A 13 3.228 -6.216 0.821 1.00 0.00 C ATOM 215 O ASP A 13 2.683 -7.315 0.909 1.00 0.00 O ATOM 216 CB ASP A 13 2.793 -4.501 2.600 1.00 0.00 C ATOM 217 CG ASP A 13 1.606 -5.150 3.292 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.684 -5.379 4.522 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.580 -5.402 2.627 1.00 0.00 O ATOM 0 H ASP A 13 5.035 -3.847 1.790 1.00 0.00 H new ATOM 0 HA ASP A 13 3.984 -6.268 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.301 -3.841 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.433 -3.878 1.781 1.00 0.00 H new ATOM 224 N ALA A 14 3.397 -5.574 -0.331 1.00 0.00 N ATOM 225 CA ALA A 14 2.968 -6.141 -1.602 1.00 0.00 C ATOM 226 C ALA A 14 3.743 -7.418 -1.925 1.00 0.00 C ATOM 227 O ALA A 14 3.193 -8.362 -2.496 1.00 0.00 O ATOM 228 CB ALA A 14 3.139 -5.117 -2.713 1.00 0.00 C ATOM 0 H ALA A 14 3.831 -4.654 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 14 1.913 -6.403 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.816 -5.550 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.536 -4.236 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.188 -4.830 -2.785 1.00 0.00 H new ATOM 234 N VAL A 15 5.018 -7.449 -1.545 1.00 0.00 N ATOM 235 CA VAL A 15 5.844 -8.636 -1.746 1.00 0.00 C ATOM 236 C VAL A 15 5.333 -9.784 -0.875 1.00 0.00 C ATOM 237 O VAL A 15 5.345 -10.947 -1.285 1.00 0.00 O ATOM 238 CB VAL A 15 7.333 -8.368 -1.423 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.183 -9.593 -1.719 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.840 -7.169 -2.205 1.00 0.00 C ATOM 0 H VAL A 15 5.500 -6.669 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 15 5.772 -8.907 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 15 7.414 -8.148 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.225 -9.378 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.839 -10.430 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.095 -9.850 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.889 -6.995 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.739 -7.362 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.256 -6.288 -1.939 1.00 0.00 H new ATOM 250 N ALA A 16 4.855 -9.441 0.320 1.00 0.00 N ATOM 251 CA ALA A 16 4.297 -10.426 1.239 1.00 0.00 C ATOM 252 C ALA A 16 3.016 -11.025 0.669 1.00 0.00 C ATOM 253 O ALA A 16 2.730 -12.209 0.864 1.00 0.00 O ATOM 254 CB ALA A 16 4.037 -9.800 2.606 1.00 0.00 C ATOM 0 H ALA A 16 4.844 -8.484 0.673 1.00 0.00 H new ATOM 0 HA ALA A 16 5.024 -11.228 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.621 -10.551 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.973 -9.424 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.331 -8.977 2.501 1.00 0.00 H new ATOM 260 N LEU A 17 2.249 -10.203 -0.043 1.00 0.00 N ATOM 261 CA LEU A 17 1.046 -10.666 -0.727 1.00 0.00 C ATOM 262 C LEU A 17 1.400 -11.696 -1.796 1.00 0.00 C ATOM 263 O LEU A 17 0.673 -12.668 -2.001 1.00 0.00 O ATOM 264 CB LEU A 17 0.296 -9.488 -1.364 1.00 0.00 C ATOM 265 CG LEU A 17 -0.989 -9.046 -0.651 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.917 -10.232 -0.430 1.00 0.00 C ATOM 267 CD2 LEU A 17 -0.667 -8.365 0.669 1.00 0.00 C ATOM 0 H LEU A 17 2.441 -9.208 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 17 0.397 -11.135 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.973 -8.635 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.045 -9.755 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.500 -8.326 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.822 -9.897 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.181 -10.671 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.413 -10.979 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.593 -8.060 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.128 -9.059 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.048 -7.487 0.484 1.00 0.00 H new ATOM 279 N TYR A 18 2.531 -11.484 -2.461 1.00 0.00 N ATOM 280 CA TYR A 18 3.020 -12.411 -3.477 1.00 0.00 C ATOM 281 C TYR A 18 3.351 -13.771 -2.867 1.00 0.00 C ATOM 282 O TYR A 18 3.078 -14.813 -3.464 1.00 0.00 O ATOM 283 CB TYR A 18 4.253 -11.828 -4.174 1.00 0.00 C ATOM 284 CG TYR A 18 4.957 -12.797 -5.101 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.472 -13.061 -6.377 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.116 -13.445 -4.693 1.00 0.00 C ATOM 287 CE1 TYR A 18 5.125 -13.947 -7.217 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.770 -14.327 -5.526 1.00 0.00 C ATOM 289 CZ TYR A 18 6.275 -14.575 -6.785 1.00 0.00 C ATOM 290 OH TYR A 18 6.934 -15.461 -7.613 1.00 0.00 O ATOM 0 H TYR A 18 3.131 -10.672 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 18 2.230 -12.555 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.953 -10.949 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.959 -11.489 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.573 -12.568 -6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.511 -13.254 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.736 -14.145 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.669 -14.822 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 18 7.725 -15.812 -7.153 1.00 0.00 H new ATOM 300 N GLU A 19 3.938 -13.754 -1.679 1.00 0.00 N ATOM 301 CA GLU A 19 4.250 -14.987 -0.969 1.00 0.00 C ATOM 302 C GLU A 19 2.967 -15.717 -0.574 1.00 0.00 C ATOM 303 O GLU A 19 2.919 -16.944 -0.552 1.00 0.00 O ATOM 304 CB GLU A 19 5.087 -14.686 0.273 1.00 0.00 C ATOM 305 CG GLU A 19 6.486 -14.174 -0.035 1.00 0.00 C ATOM 306 CD GLU A 19 7.359 -15.224 -0.694 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.812 -16.153 0.009 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.614 -15.121 -1.912 1.00 0.00 O ATOM 0 H GLU A 19 4.208 -12.902 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 19 4.826 -15.631 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.565 -13.946 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.166 -15.592 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.415 -13.304 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.959 -13.841 0.889 1.00 0.00 H new ATOM 315 N ASN A 20 1.922 -14.952 -0.289 1.00 0.00 N ATOM 316 CA ASN A 20 0.631 -15.507 0.114 1.00 0.00 C ATOM 317 C ASN A 20 -0.298 -15.632 -1.091 1.00 0.00 C ATOM 318 O ASN A 20 -1.508 -15.414 -0.994 1.00 0.00 O ATOM 319 CB ASN A 20 -0.006 -14.619 1.189 1.00 0.00 C ATOM 320 CG ASN A 20 0.671 -14.761 2.540 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.255 -15.568 3.372 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.717 -13.980 2.769 1.00 0.00 N ATOM 0 H ASN A 20 1.942 -13.933 -0.329 1.00 0.00 H new ATOM 0 HA ASN A 20 0.791 -16.503 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.042 -13.578 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.061 -14.874 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.209 -14.035 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.030 -13.324 2.053 1.00 0.00 H new ATOM 329 N SER A 21 0.277 -16.022 -2.216 1.00 0.00 N ATOM 330 CA SER A 21 -0.451 -16.115 -3.472 1.00 0.00 C ATOM 331 C SER A 21 -1.297 -17.384 -3.547 1.00 0.00 C ATOM 332 O SER A 21 -2.122 -17.536 -4.448 1.00 0.00 O ATOM 333 CB SER A 21 0.529 -16.070 -4.635 1.00 0.00 C ATOM 334 OG SER A 21 1.571 -17.014 -4.456 1.00 0.00 O ATOM 0 H SER A 21 1.261 -16.283 -2.285 1.00 0.00 H new ATOM 0 HA SER A 21 -1.131 -15.265 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.003 -16.276 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.951 -15.069 -4.721 1.00 0.00 H new ATOM 0 HG SER A 21 2.359 -16.565 -4.083 1.00 0.00 H new ATOM 340 N ASP A 22 -1.057 -18.304 -2.618 1.00 0.00 N ATOM 341 CA ASP A 22 -1.783 -19.581 -2.575 1.00 0.00 C ATOM 342 C ASP A 22 -3.281 -19.364 -2.740 1.00 0.00 C ATOM 343 O ASP A 22 -3.944 -20.059 -3.511 1.00 0.00 O ATOM 344 CB ASP A 22 -1.523 -20.314 -1.255 1.00 0.00 C ATOM 345 CG ASP A 22 -0.050 -20.515 -0.967 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.547 -21.480 -1.494 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.519 -19.706 -0.206 1.00 0.00 O ATOM 0 H ASP A 22 -0.363 -18.193 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.417 -20.190 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.973 -19.750 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.018 -21.285 -1.282 1.00 0.00 H new ATOM 352 N GLY A 23 -3.801 -18.382 -2.028 1.00 0.00 N ATOM 353 CA GLY A 23 -5.210 -18.067 -2.119 1.00 0.00 C ATOM 354 C GLY A 23 -5.485 -16.778 -2.876 1.00 0.00 C ATOM 355 O GLY A 23 -6.641 -16.437 -3.122 1.00 0.00 O ATOM 0 H GLY A 23 -3.271 -17.793 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.729 -18.889 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.624 -17.986 -1.114 1.00 0.00 H new ATOM 359 N ALA A 24 -4.430 -16.078 -3.273 1.00 0.00 N ATOM 360 CA ALA A 24 -4.572 -14.782 -3.919 1.00 0.00 C ATOM 361 C ALA A 24 -3.759 -14.736 -5.205 1.00 0.00 C ATOM 362 O ALA A 24 -2.535 -14.833 -5.179 1.00 0.00 O ATOM 363 CB ALA A 24 -4.146 -13.666 -2.973 1.00 0.00 C ATOM 0 H ALA A 24 -3.465 -16.388 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.622 -14.634 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.258 -12.703 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.771 -13.687 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.103 -13.808 -2.689 1.00 0.00 H new ATOM 369 N SER A 25 -4.453 -14.592 -6.323 1.00 0.00 N ATOM 370 CA SER A 25 -3.818 -14.579 -7.635 1.00 0.00 C ATOM 371 C SER A 25 -2.839 -13.415 -7.764 1.00 0.00 C ATOM 372 O SER A 25 -3.064 -12.344 -7.204 1.00 0.00 O ATOM 373 CB SER A 25 -4.890 -14.467 -8.717 1.00 0.00 C ATOM 374 OG SER A 25 -5.894 -15.449 -8.538 1.00 0.00 O ATOM 0 H SER A 25 -5.467 -14.481 -6.349 1.00 0.00 H new ATOM 0 HA SER A 25 -3.261 -15.508 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.338 -13.474 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.434 -14.583 -9.700 1.00 0.00 H new ATOM 0 HG SER A 25 -6.571 -15.357 -9.241 1.00 0.00 H new ATOM 380 N LEU A 26 -1.764 -13.634 -8.520 1.00 0.00 N ATOM 381 CA LEU A 26 -0.735 -12.615 -8.729 1.00 0.00 C ATOM 382 C LEU A 26 -1.369 -11.359 -9.324 1.00 0.00 C ATOM 383 O LEU A 26 -1.041 -10.235 -8.936 1.00 0.00 O ATOM 384 CB LEU A 26 0.358 -13.162 -9.661 1.00 0.00 C ATOM 385 CG LEU A 26 1.782 -12.630 -9.423 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.783 -13.399 -10.273 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.876 -11.143 -9.731 1.00 0.00 C ATOM 0 H LEU A 26 -1.582 -14.515 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.279 -12.357 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.377 -14.248 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.076 -12.937 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 26 2.019 -12.775 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.786 -13.011 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.750 -14.456 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.531 -13.281 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.895 -10.798 -9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.612 -10.970 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.189 -10.594 -9.087 1.00 0.00 H new ATOM 399 N GLN A 27 -2.283 -11.563 -10.268 1.00 0.00 N ATOM 400 CA GLN A 27 -3.062 -10.469 -10.836 1.00 0.00 C ATOM 401 C GLN A 27 -3.819 -9.731 -9.739 1.00 0.00 C ATOM 402 O GLN A 27 -3.776 -8.505 -9.667 1.00 0.00 O ATOM 403 CB GLN A 27 -4.057 -10.998 -11.877 1.00 0.00 C ATOM 404 CG GLN A 27 -5.037 -9.944 -12.384 1.00 0.00 C ATOM 405 CD GLN A 27 -4.369 -8.869 -13.219 1.00 0.00 C ATOM 406 OE1 GLN A 27 -4.233 -9.007 -14.433 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.966 -7.786 -12.578 1.00 0.00 N ATOM 0 H GLN A 27 -2.503 -12.480 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.372 -9.780 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.502 -11.402 -12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.619 -11.824 -11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.810 -10.431 -12.979 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.535 -9.479 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.098 -7.712 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.523 -7.024 -13.092 1.00 0.00 H new ATOM 416 N GLN A 28 -4.486 -10.494 -8.879 1.00 0.00 N ATOM 417 CA GLN A 28 -5.330 -9.933 -7.830 1.00 0.00 C ATOM 418 C GLN A 28 -4.516 -9.092 -6.850 1.00 0.00 C ATOM 419 O GLN A 28 -5.018 -8.119 -6.299 1.00 0.00 O ATOM 420 CB GLN A 28 -6.058 -11.049 -7.079 1.00 0.00 C ATOM 421 CG GLN A 28 -7.082 -10.546 -6.072 1.00 0.00 C ATOM 422 CD GLN A 28 -8.193 -9.741 -6.719 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.090 -8.525 -6.868 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.270 -10.410 -7.091 1.00 0.00 N ATOM 0 H GLN A 28 -4.457 -11.514 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.064 -9.283 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.559 -11.693 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.323 -11.664 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.515 -11.396 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.580 -9.930 -5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.317 -11.419 -6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.054 -9.917 -7.519 1.00 0.00 H new ATOM 433 N ILE A 29 -3.262 -9.468 -6.644 1.00 0.00 N ATOM 434 CA ILE A 29 -2.377 -8.719 -5.757 1.00 0.00 C ATOM 435 C ILE A 29 -2.243 -7.273 -6.234 1.00 0.00 C ATOM 436 O ILE A 29 -2.521 -6.331 -5.492 1.00 0.00 O ATOM 437 CB ILE A 29 -0.968 -9.355 -5.681 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.053 -10.847 -5.330 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.109 -8.617 -4.666 1.00 0.00 C ATOM 440 CD1 ILE A 29 -1.777 -11.132 -4.029 1.00 0.00 C ATOM 0 H ILE A 29 -2.833 -10.286 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.824 -8.744 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.503 -9.267 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.560 -11.372 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.044 -11.254 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.879 -9.076 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.012 -7.573 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.578 -8.673 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.795 -12.207 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.258 -10.637 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.799 -10.757 -4.091 1.00 0.00 H new ATOM 452 N ALA A 30 -1.833 -7.107 -7.485 1.00 0.00 N ATOM 453 CA ALA A 30 -1.678 -5.782 -8.066 1.00 0.00 C ATOM 454 C ALA A 30 -3.037 -5.137 -8.314 1.00 0.00 C ATOM 455 O ALA A 30 -3.195 -3.926 -8.184 1.00 0.00 O ATOM 456 CB ALA A 30 -0.887 -5.867 -9.360 1.00 0.00 C ATOM 0 H ALA A 30 -1.602 -7.874 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.130 -5.158 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.777 -4.870 -9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.099 -6.285 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.414 -6.507 -10.067 1.00 0.00 H new ATOM 462 N ASN A 31 -4.014 -5.966 -8.653 1.00 0.00 N ATOM 463 CA ASN A 31 -5.362 -5.506 -8.973 1.00 0.00 C ATOM 464 C ASN A 31 -6.062 -4.950 -7.736 1.00 0.00 C ATOM 465 O ASN A 31 -6.890 -4.042 -7.829 1.00 0.00 O ATOM 466 CB ASN A 31 -6.169 -6.663 -9.569 1.00 0.00 C ATOM 467 CG ASN A 31 -7.542 -6.258 -10.068 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.766 -5.123 -10.489 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.465 -7.204 -10.050 1.00 0.00 N ATOM 0 H ASN A 31 -3.897 -6.977 -8.715 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.291 -4.700 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.606 -7.099 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.282 -7.442 -8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.405 -7.006 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.237 -8.132 -9.693 1.00 0.00 H new ATOM 476 N ASP A 32 -5.717 -5.490 -6.575 1.00 0.00 N ATOM 477 CA ASP A 32 -6.290 -5.027 -5.317 1.00 0.00 C ATOM 478 C ASP A 32 -5.704 -3.675 -4.937 1.00 0.00 C ATOM 479 O ASP A 32 -6.422 -2.768 -4.518 1.00 0.00 O ATOM 480 CB ASP A 32 -6.024 -6.032 -4.192 1.00 0.00 C ATOM 481 CG ASP A 32 -6.798 -5.700 -2.933 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.034 -5.886 -2.927 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.171 -5.265 -1.941 1.00 0.00 O ATOM 0 H ASP A 32 -5.043 -6.249 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.367 -4.931 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.295 -7.032 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.958 -6.049 -3.967 1.00 0.00 H new ATOM 488 N LEU A 33 -4.393 -3.544 -5.103 1.00 0.00 N ATOM 489 CA LEU A 33 -3.688 -2.319 -4.746 1.00 0.00 C ATOM 490 C LEU A 33 -3.899 -1.229 -5.796 1.00 0.00 C ATOM 491 O LEU A 33 -3.657 -0.050 -5.534 1.00 0.00 O ATOM 492 CB LEU A 33 -2.190 -2.590 -4.562 1.00 0.00 C ATOM 493 CG LEU A 33 -1.772 -3.123 -3.183 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.427 -4.459 -2.875 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.260 -3.248 -3.105 1.00 0.00 C ATOM 0 H LEU A 33 -3.794 -4.276 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.101 -1.966 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.874 -3.308 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.646 -1.665 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.112 -2.408 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.107 -4.803 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.511 -4.343 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.134 -5.190 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.024 -3.627 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.088 -3.937 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.195 -2.270 -3.262 1.00 0.00 H new ATOM 507 N GLY A 34 -4.353 -1.629 -6.974 1.00 0.00 N ATOM 508 CA GLY A 34 -4.606 -0.675 -8.035 1.00 0.00 C ATOM 509 C GLY A 34 -3.331 -0.248 -8.730 1.00 0.00 C ATOM 510 O GLY A 34 -3.157 0.925 -9.068 1.00 0.00 O ATOM 0 H GLY A 34 -4.551 -2.600 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.286 -1.116 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.105 0.202 -7.623 1.00 0.00 H new ATOM 514 N ILE A 35 -2.432 -1.200 -8.935 1.00 0.00 N ATOM 515 CA ILE A 35 -1.154 -0.928 -9.566 1.00 0.00 C ATOM 516 C ILE A 35 -0.907 -1.900 -10.711 1.00 0.00 C ATOM 517 O ILE A 35 -1.634 -2.880 -10.875 1.00 0.00 O ATOM 518 CB ILE A 35 0.010 -1.036 -8.561 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.000 -2.406 -7.871 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.059 0.086 -7.534 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.159 -2.617 -6.920 1.00 0.00 C ATOM 0 H ILE A 35 -2.569 -2.175 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.196 0.092 -9.947 1.00 0.00 H new ATOM 0 HB ILE A 35 0.947 -0.936 -9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.935 -2.519 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.019 -3.186 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.772 -0.009 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.003 1.048 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.001 0.023 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.085 -3.607 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.098 -2.537 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.130 -1.859 -6.137 1.00 0.00 H new ATOM 533 N ASN A 36 0.119 -1.619 -11.502 1.00 0.00 N ATOM 534 CA ASN A 36 0.513 -2.491 -12.591 1.00 0.00 C ATOM 535 C ASN A 36 1.129 -3.774 -12.042 1.00 0.00 C ATOM 536 O ASN A 36 1.853 -3.745 -11.046 1.00 0.00 O ATOM 537 CB ASN A 36 1.516 -1.745 -13.469 1.00 0.00 C ATOM 538 CG ASN A 36 2.104 -2.585 -14.579 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.480 -3.515 -15.086 1.00 0.00 O ATOM 540 ND2 ASN A 36 3.324 -2.258 -14.956 1.00 0.00 N ATOM 0 H ASN A 36 0.697 -0.784 -11.405 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.359 -2.766 -13.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.025 -0.876 -13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.326 -1.372 -12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.787 -2.785 -15.696 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.805 -1.478 -14.507 1.00 0.00 H new ATOM 547 N ARG A 37 0.865 -4.891 -12.706 1.00 0.00 N ATOM 548 CA ARG A 37 1.359 -6.179 -12.245 1.00 0.00 C ATOM 549 C ARG A 37 2.866 -6.280 -12.447 1.00 0.00 C ATOM 550 O ARG A 37 3.571 -6.913 -11.661 1.00 0.00 O ATOM 551 CB ARG A 37 0.638 -7.322 -12.964 1.00 0.00 C ATOM 552 CG ARG A 37 1.025 -8.695 -12.442 1.00 0.00 C ATOM 553 CD ARG A 37 0.079 -9.781 -12.937 1.00 0.00 C ATOM 554 NE ARG A 37 0.097 -9.937 -14.392 1.00 0.00 N ATOM 555 CZ ARG A 37 -0.303 -11.041 -15.025 1.00 0.00 C ATOM 556 NH1 ARG A 37 -0.761 -12.081 -14.332 1.00 0.00 N ATOM 557 NH2 ARG A 37 -0.252 -11.097 -16.351 1.00 0.00 N ATOM 0 H ARG A 37 0.313 -4.930 -13.563 1.00 0.00 H new ATOM 0 HA ARG A 37 1.152 -6.263 -11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.438 -7.189 -12.856 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.860 -7.270 -14.030 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.042 -8.929 -12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.024 -8.682 -11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.349 -10.729 -12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.935 -9.546 -12.615 1.00 0.00 H new ATOM 0 HE ARG A 37 0.435 -9.156 -14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.807 -12.035 -13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.066 -12.924 -14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.092 -10.297 -16.882 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.557 -11.940 -16.838 1.00 0.00 H new ATOM 571 N VAL A 38 3.358 -5.636 -13.497 1.00 0.00 N ATOM 572 CA VAL A 38 4.790 -5.607 -13.761 1.00 0.00 C ATOM 573 C VAL A 38 5.489 -4.756 -12.708 1.00 0.00 C ATOM 574 O VAL A 38 6.547 -5.123 -12.197 1.00 0.00 O ATOM 575 CB VAL A 38 5.108 -5.048 -15.167 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.592 -5.178 -15.481 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.276 -5.754 -16.228 1.00 0.00 C ATOM 0 H VAL A 38 2.790 -5.129 -14.176 1.00 0.00 H new ATOM 0 HA VAL A 38 5.154 -6.634 -13.719 1.00 0.00 H new ATOM 0 HB VAL A 38 4.849 -3.989 -15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.790 -4.778 -16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.170 -4.621 -14.744 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.880 -6.229 -15.449 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.515 -5.345 -17.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.499 -6.821 -16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.217 -5.602 -16.020 1.00 0.00 H new ATOM 587 N THR A 39 4.875 -3.627 -12.367 1.00 0.00 N ATOM 588 CA THR A 39 5.404 -2.758 -11.327 1.00 0.00 C ATOM 589 C THR A 39 5.404 -3.481 -9.978 1.00 0.00 C ATOM 590 O THR A 39 6.313 -3.303 -9.165 1.00 0.00 O ATOM 591 CB THR A 39 4.581 -1.460 -11.232 1.00 0.00 C ATOM 592 OG1 THR A 39 4.458 -0.873 -12.536 1.00 0.00 O ATOM 593 CG2 THR A 39 5.231 -0.463 -10.282 1.00 0.00 C ATOM 0 H THR A 39 4.012 -3.295 -12.797 1.00 0.00 H new ATOM 0 HA THR A 39 6.430 -2.499 -11.588 1.00 0.00 H new ATOM 0 HB THR A 39 3.594 -1.709 -10.842 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.075 0.025 -12.456 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.627 0.443 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.303 -0.902 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.230 -0.215 -10.642 1.00 0.00 H new ATOM 601 N LEU A 40 4.386 -4.306 -9.759 1.00 0.00 N ATOM 602 CA LEU A 40 4.316 -5.143 -8.568 1.00 0.00 C ATOM 603 C LEU A 40 5.502 -6.102 -8.524 1.00 0.00 C ATOM 604 O LEU A 40 6.239 -6.154 -7.539 1.00 0.00 O ATOM 605 CB LEU A 40 3.010 -5.942 -8.557 1.00 0.00 C ATOM 606 CG LEU A 40 2.862 -6.929 -7.400 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.664 -6.190 -6.085 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.708 -7.882 -7.660 1.00 0.00 C ATOM 0 H LEU A 40 3.595 -4.413 -10.394 1.00 0.00 H new ATOM 0 HA LEU A 40 4.347 -4.496 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.175 -5.242 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.931 -6.492 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 40 3.780 -7.513 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.561 -6.911 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.525 -5.550 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.764 -5.578 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.616 -8.578 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.783 -7.314 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.895 -8.438 -8.578 1.00 0.00 H new ATOM 620 N LYS A 41 5.685 -6.842 -9.614 1.00 0.00 N ATOM 621 CA LYS A 41 6.740 -7.845 -9.711 1.00 0.00 C ATOM 622 C LYS A 41 8.114 -7.204 -9.560 1.00 0.00 C ATOM 623 O LYS A 41 9.032 -7.805 -9.009 1.00 0.00 O ATOM 624 CB LYS A 41 6.642 -8.556 -11.054 1.00 0.00 C ATOM 625 CG LYS A 41 7.299 -9.925 -11.073 1.00 0.00 C ATOM 626 CD LYS A 41 7.030 -10.639 -12.385 1.00 0.00 C ATOM 627 CE LYS A 41 7.397 -12.112 -12.302 1.00 0.00 C ATOM 628 NZ LYS A 41 7.024 -12.852 -13.535 1.00 0.00 N ATOM 0 H LYS A 41 5.108 -6.764 -10.452 1.00 0.00 H new ATOM 0 HA LYS A 41 6.611 -8.567 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.591 -8.664 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.103 -7.932 -11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.374 -9.819 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.922 -10.525 -10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.976 -10.539 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.602 -10.165 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.469 -12.209 -12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.897 -12.562 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.292 -13.852 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.997 -12.783 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.521 -12.440 -14.351 1.00 0.00 H new ATOM 642 N ASN A 42 8.225 -5.979 -10.052 1.00 0.00 N ATOM 643 CA ASN A 42 9.449 -5.184 -9.928 1.00 0.00 C ATOM 644 C ASN A 42 9.885 -5.103 -8.476 1.00 0.00 C ATOM 645 O ASN A 42 10.999 -5.488 -8.115 1.00 0.00 O ATOM 646 CB ASN A 42 9.181 -3.768 -10.433 1.00 0.00 C ATOM 647 CG ASN A 42 10.438 -2.921 -10.531 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.804 -2.224 -9.586 1.00 0.00 O ATOM 649 ND2 ASN A 42 11.100 -2.963 -11.678 1.00 0.00 N ATOM 0 H ASN A 42 7.472 -5.503 -10.549 1.00 0.00 H new ATOM 0 HA ASN A 42 10.235 -5.659 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.709 -3.822 -11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.472 -3.279 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.945 -2.405 -11.800 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.765 -3.554 -12.439 1.00 0.00 H new ATOM 656 N TRP A 43 8.980 -4.598 -7.655 1.00 0.00 N ATOM 657 CA TRP A 43 9.216 -4.475 -6.218 1.00 0.00 C ATOM 658 C TRP A 43 9.535 -5.836 -5.596 1.00 0.00 C ATOM 659 O TRP A 43 10.444 -5.956 -4.771 1.00 0.00 O ATOM 660 CB TRP A 43 7.996 -3.869 -5.522 1.00 0.00 C ATOM 661 CG TRP A 43 7.641 -2.491 -6.000 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.452 -1.612 -6.660 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.380 -1.830 -5.839 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.771 -0.448 -6.922 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.497 -0.557 -6.427 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.163 -2.192 -5.251 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.441 0.353 -6.449 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.118 -1.289 -5.273 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.262 -0.027 -5.865 1.00 0.00 C ATOM 0 H TRP A 43 8.066 -4.263 -7.958 1.00 0.00 H new ATOM 0 HA TRP A 43 10.073 -3.816 -6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.140 -4.527 -5.674 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.184 -3.833 -4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.478 -1.804 -6.936 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.151 0.365 -7.406 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.043 -3.160 -4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.549 1.324 -6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.173 -1.560 -4.826 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.428 0.659 -5.861 1.00 0.00 H new ATOM 680 N ILE A 44 8.787 -6.853 -6.011 1.00 0.00 N ATOM 681 CA ILE A 44 8.963 -8.211 -5.500 1.00 0.00 C ATOM 682 C ILE A 44 10.381 -8.715 -5.744 1.00 0.00 C ATOM 683 O ILE A 44 10.966 -9.375 -4.890 1.00 0.00 O ATOM 684 CB ILE A 44 7.949 -9.186 -6.140 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.521 -8.729 -5.833 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.177 -10.605 -5.639 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.463 -9.490 -6.598 1.00 0.00 C ATOM 0 H ILE A 44 8.046 -6.762 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 44 8.784 -8.173 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 44 8.095 -9.183 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.335 -8.840 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.431 -7.668 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.453 -11.275 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.186 -10.925 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.056 -10.632 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.477 -9.112 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.623 -9.359 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.525 -10.549 -6.349 1.00 0.00 H new ATOM 699 N ILE A 45 10.939 -8.388 -6.900 1.00 0.00 N ATOM 700 CA ILE A 45 12.296 -8.804 -7.234 1.00 0.00 C ATOM 701 C ILE A 45 13.317 -8.103 -6.338 1.00 0.00 C ATOM 702 O ILE A 45 14.206 -8.742 -5.777 1.00 0.00 O ATOM 703 CB ILE A 45 12.631 -8.514 -8.714 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.680 -9.283 -9.637 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.080 -8.881 -9.020 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.862 -8.966 -11.110 1.00 0.00 C ATOM 0 H ILE A 45 10.475 -7.837 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 45 12.349 -9.880 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 45 12.502 -7.446 -8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.827 -10.352 -9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.652 -9.059 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.296 -8.669 -10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.745 -8.294 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.236 -9.942 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.153 -9.549 -11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.685 -7.904 -11.278 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.878 -9.217 -11.413 1.00 0.00 H new ATOM 718 N LYS A 46 13.171 -6.789 -6.196 1.00 0.00 N ATOM 719 CA LYS A 46 14.131 -5.987 -5.444 1.00 0.00 C ATOM 720 C LYS A 46 14.114 -6.354 -3.960 1.00 0.00 C ATOM 721 O LYS A 46 15.159 -6.628 -3.371 1.00 0.00 O ATOM 722 CB LYS A 46 13.839 -4.490 -5.632 1.00 0.00 C ATOM 723 CG LYS A 46 14.839 -3.560 -4.948 1.00 0.00 C ATOM 724 CD LYS A 46 14.308 -3.032 -3.621 1.00 0.00 C ATOM 725 CE LYS A 46 15.296 -2.089 -2.945 1.00 0.00 C ATOM 726 NZ LYS A 46 16.505 -2.801 -2.446 1.00 0.00 N ATOM 0 H LYS A 46 12.396 -6.256 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 46 15.127 -6.201 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.825 -4.266 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.841 -4.276 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.774 -4.094 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.066 -2.722 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.366 -2.510 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.094 -3.870 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.598 -1.316 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.804 -1.586 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.116 -2.132 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.217 -3.567 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.028 -3.202 -3.250 1.00 0.00 H new ATOM 740 N TYR A 47 12.931 -6.372 -3.357 1.00 0.00 N ATOM 741 CA TYR A 47 12.823 -6.650 -1.927 1.00 0.00 C ATOM 742 C TYR A 47 12.938 -8.143 -1.644 1.00 0.00 C ATOM 743 O TYR A 47 13.452 -8.546 -0.601 1.00 0.00 O ATOM 744 CB TYR A 47 11.517 -6.081 -1.364 1.00 0.00 C ATOM 745 CG TYR A 47 11.467 -4.571 -1.416 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.079 -3.799 -0.436 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.813 -3.916 -2.450 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.042 -2.420 -0.488 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.773 -2.539 -2.509 1.00 0.00 C ATOM 750 CZ TYR A 47 11.387 -1.795 -1.525 1.00 0.00 C ATOM 751 OH TYR A 47 11.348 -0.422 -1.584 1.00 0.00 O ATOM 0 H TYR A 47 12.042 -6.200 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 47 13.654 -6.156 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.676 -6.488 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.398 -6.409 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.592 -4.286 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.327 -4.495 -3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.524 -1.835 0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.263 -2.046 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 47 12.194 -0.086 -1.947 1.00 0.00 H new ATOM 761 N GLY A 48 12.488 -8.958 -2.589 1.00 0.00 N ATOM 762 CA GLY A 48 12.605 -10.401 -2.454 1.00 0.00 C ATOM 763 C GLY A 48 14.024 -10.893 -2.679 1.00 0.00 C ATOM 764 O GLY A 48 14.311 -12.083 -2.548 1.00 0.00 O ATOM 0 H GLY A 48 12.042 -8.646 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.275 -10.697 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.939 -10.885 -3.168 1.00 0.00 H new ATOM 768 N SER A 49 14.911 -9.971 -3.035 1.00 0.00 N ATOM 769 CA SER A 49 16.319 -10.285 -3.217 1.00 0.00 C ATOM 770 C SER A 49 16.979 -10.517 -1.861 1.00 0.00 C ATOM 771 O SER A 49 18.022 -11.168 -1.778 1.00 0.00 O ATOM 772 CB SER A 49 17.031 -9.159 -3.972 1.00 0.00 C ATOM 773 OG SER A 49 18.369 -9.515 -4.287 1.00 0.00 O ATOM 0 H SER A 49 14.675 -8.993 -3.204 1.00 0.00 H new ATOM 0 HA SER A 49 16.400 -11.196 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.487 -8.933 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.026 -8.253 -3.367 1.00 0.00 H new ATOM 0 HG SER A 49 18.640 -9.068 -5.116 1.00 0.00 H new ATOM 779 N ASN A 50 16.366 -9.950 -0.813 1.00 0.00 N ATOM 780 CA ASN A 50 16.816 -10.116 0.575 1.00 0.00 C ATOM 781 C ASN A 50 18.071 -9.298 0.867 1.00 0.00 C ATOM 782 O ASN A 50 18.035 -8.355 1.658 1.00 0.00 O ATOM 783 CB ASN A 50 17.055 -11.595 0.904 1.00 0.00 C ATOM 784 CG ASN A 50 17.428 -11.822 2.356 1.00 0.00 C ATOM 785 OD1 ASN A 50 18.604 -11.810 2.721 1.00 0.00 O ATOM 786 ND2 ASN A 50 16.427 -12.039 3.188 1.00 0.00 N ATOM 0 H ASN A 50 15.539 -9.360 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 50 16.018 -9.741 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.155 -12.164 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.849 -11.981 0.265 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.613 -12.206 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.467 -12.040 2.842 1.00 0.00 H new ATOM 793 N HIS A 51 19.172 -9.647 0.220 1.00 0.00 N ATOM 794 CA HIS A 51 20.436 -8.967 0.449 1.00 0.00 C ATOM 795 C HIS A 51 21.171 -8.763 -0.870 1.00 0.00 C ATOM 796 O HIS A 51 21.703 -9.710 -1.448 1.00 0.00 O ATOM 797 CB HIS A 51 21.293 -9.772 1.432 1.00 0.00 C ATOM 798 CG HIS A 51 22.512 -9.050 1.925 1.00 0.00 C ATOM 799 ND1 HIS A 51 23.560 -9.689 2.548 1.00 0.00 N ATOM 800 CD2 HIS A 51 22.837 -7.736 1.904 1.00 0.00 C ATOM 801 CE1 HIS A 51 24.476 -8.802 2.887 1.00 0.00 C ATOM 802 NE2 HIS A 51 24.062 -7.607 2.508 1.00 0.00 N ATOM 0 H HIS A 51 19.215 -10.398 -0.469 1.00 0.00 H new ATOM 0 HA HIS A 51 20.240 -7.987 0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.678 -10.049 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 51 21.604 -10.699 0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 51 22.242 -6.937 1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 51 25.407 -9.017 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 51 24.569 -6.732 2.642 1.00 0.00 H new ATOM 811 N ASN A 52 21.184 -7.520 -1.329 1.00 0.00 N ATOM 812 CA ASN A 52 21.795 -7.152 -2.603 1.00 0.00 C ATOM 813 C ASN A 52 21.700 -5.644 -2.794 1.00 0.00 C ATOM 814 O ASN A 52 20.610 -5.107 -2.993 1.00 0.00 O ATOM 815 CB ASN A 52 21.096 -7.868 -3.756 1.00 0.00 C ATOM 816 CG ASN A 52 21.773 -7.641 -5.093 1.00 0.00 C ATOM 817 OD1 ASN A 52 22.980 -7.400 -5.166 1.00 0.00 O ATOM 818 ND2 ASN A 52 21.000 -7.739 -6.163 1.00 0.00 N ATOM 0 H ASN A 52 20.770 -6.734 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 52 22.843 -7.452 -2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 52 21.066 -8.937 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.063 -7.526 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.399 -7.614 -7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.006 -7.940 -6.057 1.00 0.00 H new ATOM 825 N VAL A 53 22.840 -4.965 -2.715 1.00 0.00 N ATOM 826 CA VAL A 53 22.865 -3.507 -2.746 1.00 0.00 C ATOM 827 C VAL A 53 22.785 -2.948 -4.174 1.00 0.00 C ATOM 828 O VAL A 53 21.804 -2.294 -4.532 1.00 0.00 O ATOM 829 CB VAL A 53 24.103 -2.946 -1.994 1.00 0.00 C ATOM 830 CG1 VAL A 53 25.408 -3.559 -2.486 1.00 0.00 C ATOM 831 CG2 VAL A 53 24.154 -1.429 -2.090 1.00 0.00 C ATOM 0 H VAL A 53 23.758 -5.401 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 53 21.970 -3.169 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 53 23.991 -3.227 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 53 26.243 -3.134 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 25.383 -4.638 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 53 25.533 -3.344 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 53 25.029 -1.060 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 53 24.216 -1.133 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 53 23.253 -1.006 -1.646 1.00 0.00 H new ATOM 841 N GLN A 54 23.803 -3.208 -4.988 1.00 0.00 N ATOM 842 CA GLN A 54 23.867 -2.651 -6.337 1.00 0.00 C ATOM 843 C GLN A 54 23.331 -3.626 -7.377 1.00 0.00 C ATOM 844 O GLN A 54 23.150 -4.812 -7.102 1.00 0.00 O ATOM 845 CB GLN A 54 25.310 -2.287 -6.670 1.00 0.00 C ATOM 846 CG GLN A 54 25.522 -0.807 -6.928 1.00 0.00 C ATOM 847 CD GLN A 54 26.987 -0.445 -6.933 1.00 0.00 C ATOM 848 OE1 GLN A 54 27.649 -0.478 -7.971 1.00 0.00 O ATOM 849 NE2 GLN A 54 27.505 -0.094 -5.768 1.00 0.00 N ATOM 0 H GLN A 54 24.595 -3.800 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 54 23.240 -1.760 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.953 -2.599 -5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 54 25.623 -2.849 -7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.077 -0.537 -7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 54 25.006 -0.227 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 54 26.920 -0.081 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 54 28.490 0.163 -5.705 1.00 0.00 H new ATOM 858 N GLY A 55 23.084 -3.112 -8.574 1.00 0.00 N ATOM 859 CA GLY A 55 22.596 -3.932 -9.661 1.00 0.00 C ATOM 860 C GLY A 55 22.258 -3.094 -10.873 1.00 0.00 C ATOM 861 O GLY A 55 21.314 -2.308 -10.831 1.00 0.00 O ATOM 0 H GLY A 55 23.216 -2.129 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 55 23.350 -4.673 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.711 -4.480 -9.337 1.00 0.00 H new ATOM 865 N THR A 56 23.041 -3.267 -11.943 1.00 0.00 N ATOM 866 CA THR A 56 22.903 -2.507 -13.186 1.00 0.00 C ATOM 867 C THR A 56 22.807 -0.998 -12.944 1.00 0.00 C ATOM 868 O THR A 56 21.731 -0.450 -12.706 1.00 0.00 O ATOM 869 CB THR A 56 21.700 -2.989 -14.030 1.00 0.00 C ATOM 870 OG1 THR A 56 20.516 -3.077 -13.230 1.00 0.00 O ATOM 871 CG2 THR A 56 21.982 -4.344 -14.655 1.00 0.00 C ATOM 0 H THR A 56 23.799 -3.949 -11.968 1.00 0.00 H new ATOM 0 HA THR A 56 23.816 -2.696 -13.751 1.00 0.00 H new ATOM 0 HB THR A 56 21.544 -2.256 -14.821 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.590 -2.465 -12.468 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.120 -4.660 -15.243 1.00 0.00 H new ATOM 0 HG22 THR A 56 22.856 -4.271 -15.302 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.172 -5.075 -13.869 1.00 0.00 H new ATOM 879 N THR A 57 23.945 -0.325 -13.008 1.00 0.00 N ATOM 880 CA THR A 57 23.995 1.108 -12.770 1.00 0.00 C ATOM 881 C THR A 57 25.060 1.770 -13.649 1.00 0.00 C ATOM 882 O THR A 57 26.254 1.717 -13.344 1.00 0.00 O ATOM 883 CB THR A 57 24.285 1.414 -11.285 1.00 0.00 C ATOM 884 OG1 THR A 57 23.367 0.694 -10.448 1.00 0.00 O ATOM 885 CG2 THR A 57 24.164 2.906 -11.004 1.00 0.00 C ATOM 0 H THR A 57 24.847 -0.749 -13.223 1.00 0.00 H new ATOM 0 HA THR A 57 23.018 1.517 -13.028 1.00 0.00 H new ATOM 0 HB THR A 57 25.305 1.099 -11.066 1.00 0.00 H new ATOM 0 HG1 THR A 57 23.558 0.892 -9.507 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.373 3.096 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 57 24.879 3.451 -11.620 1.00 0.00 H new ATOM 0 HG23 THR A 57 23.153 3.240 -11.239 1.00 0.00 H new ATOM 893 N PRO A 58 24.642 2.376 -14.769 1.00 0.00 N ATOM 894 CA PRO A 58 25.536 3.082 -15.680 1.00 0.00 C ATOM 895 C PRO A 58 25.798 4.518 -15.229 1.00 0.00 C ATOM 896 O PRO A 58 24.921 5.381 -15.321 1.00 0.00 O ATOM 897 CB PRO A 58 24.776 3.066 -17.019 1.00 0.00 C ATOM 898 CG PRO A 58 23.442 2.432 -16.745 1.00 0.00 C ATOM 899 CD PRO A 58 23.262 2.416 -15.251 1.00 0.00 C ATOM 0 HA PRO A 58 26.519 2.614 -15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 58 24.653 4.077 -17.407 1.00 0.00 H new ATOM 0 HB3 PRO A 58 25.327 2.501 -17.771 1.00 0.00 H new ATOM 0 HG2 PRO A 58 22.641 2.996 -17.224 1.00 0.00 H new ATOM 0 HG3 PRO A 58 23.405 1.420 -17.149 1.00 0.00 H new ATOM 0 HD2 PRO A 58 22.733 3.301 -14.896 1.00 0.00 H new ATOM 0 HD3 PRO A 58 22.691 1.549 -14.920 1.00 0.00 H new ATOM 907 N SER A 59 27.008 4.768 -14.749 1.00 0.00 N ATOM 908 CA SER A 59 27.381 6.084 -14.248 1.00 0.00 C ATOM 909 C SER A 59 27.517 7.092 -15.386 1.00 0.00 C ATOM 910 O SER A 59 27.276 8.287 -15.211 1.00 0.00 O ATOM 911 CB SER A 59 28.694 5.978 -13.476 1.00 0.00 C ATOM 912 OG SER A 59 29.653 5.235 -14.215 1.00 0.00 O ATOM 0 H SER A 59 27.752 4.073 -14.696 1.00 0.00 H new ATOM 0 HA SER A 59 26.593 6.439 -13.584 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.081 6.976 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 59 28.518 5.498 -12.513 1.00 0.00 H new ATOM 0 HG SER A 59 30.488 5.180 -13.705 1.00 0.00 H new ATOM 918 N ALA A 60 27.885 6.599 -16.565 1.00 0.00 N ATOM 919 CA ALA A 60 28.077 7.454 -17.732 1.00 0.00 C ATOM 920 C ALA A 60 26.766 8.080 -18.192 1.00 0.00 C ATOM 921 O ALA A 60 26.762 9.100 -18.887 1.00 0.00 O ATOM 922 CB ALA A 60 28.709 6.665 -18.867 1.00 0.00 C ATOM 0 H ALA A 60 28.057 5.608 -16.738 1.00 0.00 H new ATOM 0 HA ALA A 60 28.748 8.263 -17.442 1.00 0.00 H new ATOM 0 HB1 ALA A 60 28.846 7.316 -19.730 1.00 0.00 H new ATOM 0 HB2 ALA A 60 29.677 6.278 -18.547 1.00 0.00 H new ATOM 0 HB3 ALA A 60 28.058 5.834 -19.139 1.00 0.00 H new ATOM 928 N ALA A 61 25.654 7.482 -17.787 1.00 0.00 N ATOM 929 CA ALA A 61 24.342 7.931 -18.229 1.00 0.00 C ATOM 930 C ALA A 61 23.919 9.215 -17.533 1.00 0.00 C ATOM 931 O ALA A 61 22.906 9.814 -17.883 1.00 0.00 O ATOM 932 CB ALA A 61 23.307 6.842 -18.010 1.00 0.00 C ATOM 0 H ALA A 61 25.635 6.684 -17.152 1.00 0.00 H new ATOM 0 HA ALA A 61 24.411 8.145 -19.296 1.00 0.00 H new ATOM 0 HB1 ALA A 61 22.332 7.194 -18.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.587 5.954 -18.577 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.258 6.595 -16.950 1.00 0.00 H new ATOM 938 N VAL A 62 24.712 9.651 -16.571 1.00 0.00 N ATOM 939 CA VAL A 62 24.441 10.900 -15.872 1.00 0.00 C ATOM 940 C VAL A 62 24.830 12.080 -16.753 1.00 0.00 C ATOM 941 O VAL A 62 24.106 13.073 -16.854 1.00 0.00 O ATOM 942 CB VAL A 62 25.196 10.979 -14.520 1.00 0.00 C ATOM 943 CG1 VAL A 62 24.901 12.289 -13.802 1.00 0.00 C ATOM 944 CG2 VAL A 62 24.828 9.799 -13.633 1.00 0.00 C ATOM 0 H VAL A 62 25.549 9.161 -16.254 1.00 0.00 H new ATOM 0 HA VAL A 62 23.373 10.937 -15.658 1.00 0.00 H new ATOM 0 HB VAL A 62 26.265 10.940 -14.731 1.00 0.00 H new ATOM 0 HG11 VAL A 62 25.444 12.316 -12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 62 25.217 13.125 -14.426 1.00 0.00 H new ATOM 0 HG13 VAL A 62 23.831 12.365 -13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 62 25.368 9.871 -12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 62 23.755 9.810 -13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 62 25.097 8.869 -14.134 1.00 0.00 H new ATOM 954 N SER A 63 25.966 11.945 -17.407 1.00 0.00 N ATOM 955 CA SER A 63 26.453 12.957 -18.327 1.00 0.00 C ATOM 956 C SER A 63 25.568 13.013 -19.569 1.00 0.00 C ATOM 957 O SER A 63 25.311 14.085 -20.123 1.00 0.00 O ATOM 958 CB SER A 63 27.894 12.634 -18.723 1.00 0.00 C ATOM 959 OG SER A 63 28.674 12.323 -17.577 1.00 0.00 O ATOM 0 H SER A 63 26.577 11.133 -17.317 1.00 0.00 H new ATOM 0 HA SER A 63 26.423 13.930 -17.837 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.906 11.793 -19.416 1.00 0.00 H new ATOM 0 HB3 SER A 63 28.331 13.484 -19.247 1.00 0.00 H new ATOM 0 HG SER A 63 29.592 12.118 -17.852 1.00 0.00 H new ATOM 965 N GLU A 64 25.084 11.846 -19.977 1.00 0.00 N ATOM 966 CA GLU A 64 24.254 11.724 -21.166 1.00 0.00 C ATOM 967 C GLU A 64 22.856 12.273 -20.908 1.00 0.00 C ATOM 968 O GLU A 64 22.254 12.902 -21.778 1.00 0.00 O ATOM 969 CB GLU A 64 24.199 10.254 -21.595 1.00 0.00 C ATOM 970 CG GLU A 64 23.379 9.994 -22.851 1.00 0.00 C ATOM 971 CD GLU A 64 23.545 8.575 -23.363 1.00 0.00 C ATOM 972 OE1 GLU A 64 22.790 7.682 -22.927 1.00 0.00 O ATOM 973 OE2 GLU A 64 24.447 8.349 -24.198 1.00 0.00 O ATOM 0 H GLU A 64 25.255 10.963 -19.495 1.00 0.00 H new ATOM 0 HA GLU A 64 24.691 12.312 -21.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.216 9.898 -21.760 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.784 9.665 -20.777 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.326 10.181 -22.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.678 10.696 -23.629 1.00 0.00 H new ATOM 980 N ALA A 65 22.372 12.068 -19.695 1.00 0.00 N ATOM 981 CA ALA A 65 21.045 12.521 -19.299 1.00 0.00 C ATOM 982 C ALA A 65 20.911 14.031 -19.417 1.00 0.00 C ATOM 983 O ALA A 65 19.866 14.530 -19.824 1.00 0.00 O ATOM 984 CB ALA A 65 20.742 12.082 -17.878 1.00 0.00 C ATOM 0 H ALA A 65 22.884 11.585 -18.957 1.00 0.00 H new ATOM 0 HA ALA A 65 20.324 12.066 -19.978 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.748 12.427 -17.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.780 10.994 -17.817 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.481 12.509 -17.200 1.00 0.00 H new ATOM 990 N GLU A 66 21.969 14.755 -19.065 1.00 0.00 N ATOM 991 CA GLU A 66 21.953 16.215 -19.141 1.00 0.00 C ATOM 992 C GLU A 66 21.704 16.670 -20.574 1.00 0.00 C ATOM 993 O GLU A 66 20.855 17.521 -20.835 1.00 0.00 O ATOM 994 CB GLU A 66 23.280 16.798 -18.656 1.00 0.00 C ATOM 995 CG GLU A 66 23.241 18.307 -18.481 1.00 0.00 C ATOM 996 CD GLU A 66 24.599 18.902 -18.178 1.00 0.00 C ATOM 997 OE1 GLU A 66 25.379 18.269 -17.439 1.00 0.00 O ATOM 998 OE2 GLU A 66 24.884 20.019 -18.660 1.00 0.00 O ATOM 0 H GLU A 66 22.845 14.358 -18.726 1.00 0.00 H new ATOM 0 HA GLU A 66 21.148 16.573 -18.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 23.548 16.335 -17.706 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.064 16.541 -19.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.845 18.762 -19.389 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.553 18.556 -17.673 1.00 0.00 H new ATOM 1005 N GLN A 67 22.451 16.079 -21.496 1.00 0.00 N ATOM 1006 CA GLN A 67 22.346 16.413 -22.909 1.00 0.00 C ATOM 1007 C GLN A 67 20.979 16.004 -23.444 1.00 0.00 C ATOM 1008 O GLN A 67 20.377 16.712 -24.251 1.00 0.00 O ATOM 1009 CB GLN A 67 23.472 15.723 -23.680 1.00 0.00 C ATOM 1010 CG GLN A 67 24.848 16.083 -23.144 1.00 0.00 C ATOM 1011 CD GLN A 67 25.949 15.205 -23.697 1.00 0.00 C ATOM 1012 OE1 GLN A 67 25.875 14.729 -24.829 1.00 0.00 O ATOM 1013 NE2 GLN A 67 26.971 14.968 -22.892 1.00 0.00 N ATOM 0 H GLN A 67 23.143 15.359 -21.287 1.00 0.00 H new ATOM 0 HA GLN A 67 22.447 17.490 -23.040 1.00 0.00 H new ATOM 0 HB2 GLN A 67 23.336 14.643 -23.627 1.00 0.00 H new ATOM 0 HB3 GLN A 67 23.411 16.001 -24.732 1.00 0.00 H new ATOM 0 HG2 GLN A 67 25.065 17.123 -23.386 1.00 0.00 H new ATOM 0 HG3 GLN A 67 24.840 16.004 -22.057 1.00 0.00 H new ATOM 0 HE21 GLN A 67 26.993 15.383 -21.960 1.00 0.00 H new ATOM 0 HE22 GLN A 67 27.737 14.371 -23.203 1.00 0.00 H new ATOM 1022 N ILE A 68 20.488 14.871 -22.959 1.00 0.00 N ATOM 1023 CA ILE A 68 19.152 14.393 -23.297 1.00 0.00 C ATOM 1024 C ILE A 68 18.079 15.366 -22.792 1.00 0.00 C ATOM 1025 O ILE A 68 17.097 15.642 -23.484 1.00 0.00 O ATOM 1026 CB ILE A 68 18.910 12.980 -22.711 1.00 0.00 C ATOM 1027 CG1 ILE A 68 19.787 11.945 -23.431 1.00 0.00 C ATOM 1028 CG2 ILE A 68 17.439 12.589 -22.801 1.00 0.00 C ATOM 1029 CD1 ILE A 68 19.530 11.856 -24.921 1.00 0.00 C ATOM 0 H ILE A 68 21.001 14.260 -22.324 1.00 0.00 H new ATOM 0 HA ILE A 68 19.082 14.336 -24.383 1.00 0.00 H new ATOM 0 HB ILE A 68 19.186 13.001 -21.657 1.00 0.00 H new ATOM 0 HG12 ILE A 68 20.835 12.194 -23.267 1.00 0.00 H new ATOM 0 HG13 ILE A 68 19.618 10.965 -22.984 1.00 0.00 H new ATOM 0 HG21 ILE A 68 17.301 11.592 -22.382 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.837 13.305 -22.241 1.00 0.00 H new ATOM 0 HG23 ILE A 68 17.125 12.590 -23.845 1.00 0.00 H new ATOM 0 HD11 ILE A 68 20.187 11.104 -25.359 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.491 11.576 -25.095 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.727 12.824 -25.383 1.00 0.00 H new ATOM 1041 N ARG A 69 18.287 15.892 -21.587 1.00 0.00 N ATOM 1042 CA ARG A 69 17.364 16.847 -20.985 1.00 0.00 C ATOM 1043 C ARG A 69 17.283 18.130 -21.802 1.00 0.00 C ATOM 1044 O ARG A 69 16.205 18.689 -21.973 1.00 0.00 O ATOM 1045 CB ARG A 69 17.774 17.157 -19.540 1.00 0.00 C ATOM 1046 CG ARG A 69 17.461 16.030 -18.563 1.00 0.00 C ATOM 1047 CD ARG A 69 16.005 16.060 -18.106 1.00 0.00 C ATOM 1048 NE ARG A 69 15.063 16.102 -19.228 1.00 0.00 N ATOM 1049 CZ ARG A 69 13.806 16.538 -19.126 1.00 0.00 C ATOM 1050 NH1 ARG A 69 13.309 16.873 -17.944 1.00 0.00 N ATOM 1051 NH2 ARG A 69 13.039 16.608 -20.207 1.00 0.00 N ATOM 0 H ARG A 69 19.095 15.669 -21.005 1.00 0.00 H new ATOM 0 HA ARG A 69 16.374 16.392 -20.977 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.844 17.365 -19.511 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.264 18.063 -19.213 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.673 15.071 -19.035 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.116 16.110 -17.695 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.801 15.179 -17.498 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.846 16.931 -17.470 1.00 0.00 H new ATOM 0 HE ARG A 69 15.387 15.779 -20.140 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.888 16.798 -17.108 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.348 17.206 -17.871 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.411 16.329 -21.115 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.078 16.941 -20.130 1.00 0.00 H new ATOM 1065 N GLN A 70 18.419 18.581 -22.315 1.00 0.00 N ATOM 1066 CA GLN A 70 18.468 19.783 -23.127 1.00 0.00 C ATOM 1067 C GLN A 70 17.916 19.497 -24.524 1.00 0.00 C ATOM 1068 O GLN A 70 17.273 20.344 -25.142 1.00 0.00 O ATOM 1069 CB GLN A 70 19.916 20.269 -23.208 1.00 0.00 C ATOM 1070 CG GLN A 70 20.147 21.691 -22.692 1.00 0.00 C ATOM 1071 CD GLN A 70 19.488 22.780 -23.529 1.00 0.00 C ATOM 1072 OE1 GLN A 70 18.423 22.591 -24.112 1.00 0.00 O ATOM 1073 NE2 GLN A 70 20.130 23.937 -23.598 1.00 0.00 N ATOM 0 H GLN A 70 19.323 18.128 -22.181 1.00 0.00 H new ATOM 0 HA GLN A 70 17.853 20.560 -22.673 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.546 19.585 -22.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.244 20.217 -24.246 1.00 0.00 H new ATOM 0 HG2 GLN A 70 19.773 21.759 -21.670 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.220 21.880 -22.652 1.00 0.00 H new ATOM 0 HE21 GLN A 70 21.012 24.061 -23.102 1.00 0.00 H new ATOM 0 HE22 GLN A 70 19.742 24.704 -24.147 1.00 0.00 H new ATOM 1082 N LEU A 71 18.159 18.288 -25.007 1.00 0.00 N ATOM 1083 CA LEU A 71 17.707 17.885 -26.331 1.00 0.00 C ATOM 1084 C LEU A 71 16.182 17.913 -26.400 1.00 0.00 C ATOM 1085 O LEU A 71 15.603 18.608 -27.236 1.00 0.00 O ATOM 1086 CB LEU A 71 18.244 16.484 -26.664 1.00 0.00 C ATOM 1087 CG LEU A 71 18.281 16.102 -28.157 1.00 0.00 C ATOM 1088 CD1 LEU A 71 16.881 15.893 -28.724 1.00 0.00 C ATOM 1089 CD2 LEU A 71 19.026 17.162 -28.960 1.00 0.00 C ATOM 0 H LEU A 71 18.669 17.565 -24.499 1.00 0.00 H new ATOM 0 HA LEU A 71 18.093 18.588 -27.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.255 16.402 -26.265 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.633 15.750 -26.138 1.00 0.00 H new ATOM 0 HG LEU A 71 18.814 15.155 -28.239 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.952 15.625 -29.778 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.384 15.091 -28.179 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.306 16.813 -28.621 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.043 16.877 -30.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.521 18.122 -28.852 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.048 17.247 -28.591 1.00 0.00 H new ATOM 1101 N LYS A 72 15.533 17.174 -25.513 1.00 0.00 N ATOM 1102 CA LYS A 72 14.079 17.068 -25.539 1.00 0.00 C ATOM 1103 C LYS A 72 13.429 18.248 -24.814 1.00 0.00 C ATOM 1104 O LYS A 72 12.340 18.691 -25.189 1.00 0.00 O ATOM 1105 CB LYS A 72 13.638 15.734 -24.922 1.00 0.00 C ATOM 1106 CG LYS A 72 12.158 15.417 -25.109 1.00 0.00 C ATOM 1107 CD LYS A 72 11.737 15.516 -26.570 1.00 0.00 C ATOM 1108 CE LYS A 72 12.515 14.560 -27.467 1.00 0.00 C ATOM 1109 NZ LYS A 72 12.150 13.137 -27.234 1.00 0.00 N ATOM 0 H LYS A 72 15.985 16.641 -24.770 1.00 0.00 H new ATOM 0 HA LYS A 72 13.748 17.097 -26.577 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.228 14.930 -25.362 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.863 15.748 -23.856 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.952 14.413 -24.739 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.561 16.106 -24.511 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.672 15.301 -26.653 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.885 16.538 -26.919 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.329 14.813 -28.511 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.583 14.691 -27.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.706 12.528 -27.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.352 12.884 -26.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.137 13.003 -27.426 1.00 0.00 H new ATOM 1123 N LYS A 73 14.118 18.754 -23.789 1.00 0.00 N ATOM 1124 CA LYS A 73 13.654 19.901 -23.003 1.00 0.00 C ATOM 1125 C LYS A 73 12.397 19.581 -22.197 1.00 0.00 C ATOM 1126 O LYS A 73 11.828 18.496 -22.301 1.00 0.00 O ATOM 1127 CB LYS A 73 13.409 21.117 -23.900 1.00 0.00 C ATOM 1128 CG LYS A 73 14.687 21.805 -24.356 1.00 0.00 C ATOM 1129 CD LYS A 73 14.415 22.862 -25.413 1.00 0.00 C ATOM 1130 CE LYS A 73 14.047 22.233 -26.748 1.00 0.00 C ATOM 1131 NZ LYS A 73 15.164 21.416 -27.305 1.00 0.00 N ATOM 0 H LYS A 73 15.015 18.380 -23.479 1.00 0.00 H new ATOM 0 HA LYS A 73 14.448 20.137 -22.295 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.843 20.803 -24.777 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.791 21.836 -23.362 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.177 22.267 -23.499 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.377 21.062 -24.755 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.605 23.511 -25.080 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.297 23.490 -25.536 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.165 21.605 -26.622 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.782 23.017 -27.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.202 21.538 -28.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.064 21.727 -26.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.006 20.413 -27.081 1.00 0.00 H new ATOM 1145 N GLU A 74 11.993 20.532 -21.369 1.00 0.00 N ATOM 1146 CA GLU A 74 10.768 20.419 -20.599 1.00 0.00 C ATOM 1147 C GLU A 74 9.608 21.019 -21.380 1.00 0.00 C ATOM 1148 O GLU A 74 9.574 22.229 -21.616 1.00 0.00 O ATOM 1149 CB GLU A 74 10.921 21.145 -19.264 1.00 0.00 C ATOM 1150 CG GLU A 74 11.728 20.384 -18.228 1.00 0.00 C ATOM 1151 CD GLU A 74 10.904 19.341 -17.500 1.00 0.00 C ATOM 1152 OE1 GLU A 74 10.148 19.719 -16.577 1.00 0.00 O ATOM 1153 OE2 GLU A 74 11.011 18.144 -17.837 1.00 0.00 O ATOM 0 H GLU A 74 12.505 21.401 -21.213 1.00 0.00 H new ATOM 0 HA GLU A 74 10.566 19.365 -20.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.396 22.110 -19.441 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.930 21.348 -18.858 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.573 19.899 -18.716 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.139 21.088 -17.504 1.00 0.00 H new ATOM 1160 N ASN A 75 8.664 20.183 -21.774 1.00 0.00 N ATOM 1161 CA ASN A 75 7.509 20.652 -22.527 1.00 0.00 C ATOM 1162 C ASN A 75 6.226 20.109 -21.901 1.00 0.00 C ATOM 1163 O ASN A 75 6.282 19.344 -20.933 1.00 0.00 O ATOM 1164 CB ASN A 75 7.619 20.231 -24.000 1.00 0.00 C ATOM 1165 CG ASN A 75 6.773 21.094 -24.923 1.00 0.00 C ATOM 1166 OD1 ASN A 75 5.612 20.783 -25.195 1.00 0.00 O ATOM 1167 ND2 ASN A 75 7.347 22.188 -25.403 1.00 0.00 N ATOM 0 H ASN A 75 8.672 19.180 -21.587 1.00 0.00 H new ATOM 0 HA ASN A 75 7.481 21.741 -22.490 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.662 20.287 -24.312 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.311 19.190 -24.100 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.825 22.808 -26.022 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.311 22.410 -25.153 1.00 0.00 H new ATOM 1174 N ALA A 76 5.082 20.490 -22.458 1.00 0.00 N ATOM 1175 CA ALA A 76 3.784 20.112 -21.909 1.00 0.00 C ATOM 1176 C ALA A 76 3.603 18.599 -21.883 1.00 0.00 C ATOM 1177 O ALA A 76 2.944 18.069 -20.996 1.00 0.00 O ATOM 1178 CB ALA A 76 2.661 20.766 -22.701 1.00 0.00 C ATOM 0 H ALA A 76 5.027 21.066 -23.298 1.00 0.00 H new ATOM 0 HA ALA A 76 3.745 20.468 -20.879 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.700 20.474 -22.278 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.764 21.850 -22.652 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.713 20.443 -23.741 1.00 0.00 H new ATOM 1184 N LEU A 77 4.231 17.922 -22.838 1.00 0.00 N ATOM 1185 CA LEU A 77 4.106 16.476 -23.004 1.00 0.00 C ATOM 1186 C LEU A 77 4.263 15.724 -21.681 1.00 0.00 C ATOM 1187 O LEU A 77 3.526 14.778 -21.401 1.00 0.00 O ATOM 1188 CB LEU A 77 5.159 15.984 -23.997 1.00 0.00 C ATOM 1189 CG LEU A 77 5.039 16.541 -25.417 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.207 16.080 -26.276 1.00 0.00 C ATOM 1191 CD2 LEU A 77 3.727 16.106 -26.041 1.00 0.00 C ATOM 0 H LEU A 77 4.845 18.362 -23.523 1.00 0.00 H new ATOM 0 HA LEU A 77 3.103 16.274 -23.380 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.145 16.237 -23.609 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.106 14.896 -24.047 1.00 0.00 H new ATOM 0 HG LEU A 77 5.061 17.629 -25.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.102 16.487 -27.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.141 16.431 -25.838 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.215 14.991 -26.325 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.653 16.509 -27.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.686 15.017 -26.080 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.897 16.479 -25.441 1.00 0.00 H new ATOM 1203 N GLN A 78 5.215 16.153 -20.868 1.00 0.00 N ATOM 1204 CA GLN A 78 5.489 15.482 -19.607 1.00 0.00 C ATOM 1205 C GLN A 78 4.508 15.910 -18.519 1.00 0.00 C ATOM 1206 O GLN A 78 3.900 15.069 -17.858 1.00 0.00 O ATOM 1207 CB GLN A 78 6.921 15.764 -19.150 1.00 0.00 C ATOM 1208 CG GLN A 78 7.247 15.192 -17.778 1.00 0.00 C ATOM 1209 CD GLN A 78 8.687 15.428 -17.376 1.00 0.00 C ATOM 1210 OE1 GLN A 78 9.562 14.608 -17.649 1.00 0.00 O ATOM 1211 NE2 GLN A 78 8.939 16.546 -16.724 1.00 0.00 N ATOM 0 H GLN A 78 5.809 16.960 -21.058 1.00 0.00 H new ATOM 0 HA GLN A 78 5.367 14.412 -19.774 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.615 15.350 -19.881 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.082 16.842 -19.133 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.588 15.641 -17.035 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.044 14.121 -17.777 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.182 17.198 -16.519 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.891 16.759 -16.425 1.00 0.00 H new ATOM 1220 N ARG A 79 4.345 17.215 -18.345 1.00 0.00 N ATOM 1221 CA ARG A 79 3.619 17.737 -17.194 1.00 0.00 C ATOM 1222 C ARG A 79 2.106 17.685 -17.383 1.00 0.00 C ATOM 1223 O ARG A 79 1.360 17.738 -16.409 1.00 0.00 O ATOM 1224 CB ARG A 79 4.075 19.164 -16.864 1.00 0.00 C ATOM 1225 CG ARG A 79 5.540 19.242 -16.451 1.00 0.00 C ATOM 1226 CD ARG A 79 5.880 20.543 -15.731 1.00 0.00 C ATOM 1227 NE ARG A 79 5.722 21.731 -16.575 1.00 0.00 N ATOM 1228 CZ ARG A 79 6.716 22.304 -17.256 1.00 0.00 C ATOM 1229 NH1 ARG A 79 7.928 21.757 -17.279 1.00 0.00 N ATOM 1230 NH2 ARG A 79 6.504 23.439 -17.910 1.00 0.00 N ATOM 0 H ARG A 79 4.703 17.927 -18.981 1.00 0.00 H new ATOM 0 HA ARG A 79 3.856 17.088 -16.351 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.914 19.801 -17.734 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.455 19.560 -16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.775 18.399 -15.801 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.168 19.147 -17.336 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.241 20.642 -14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.908 20.494 -15.373 1.00 0.00 H new ATOM 0 HE ARG A 79 4.793 22.146 -16.646 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.106 20.890 -16.772 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.680 22.205 -17.803 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.581 23.873 -17.892 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.264 23.877 -18.431 1.00 0.00 H new ATOM 1244 N ALA A 80 1.661 17.568 -18.624 1.00 0.00 N ATOM 1245 CA ALA A 80 0.231 17.481 -18.923 1.00 0.00 C ATOM 1246 C ALA A 80 -0.300 16.077 -18.661 1.00 0.00 C ATOM 1247 O ALA A 80 -1.502 15.869 -18.495 1.00 0.00 O ATOM 1248 CB ALA A 80 -0.045 17.886 -20.364 1.00 0.00 C ATOM 0 H ALA A 80 2.266 17.531 -19.444 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.289 18.173 -18.260 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.114 17.814 -20.564 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.285 18.912 -20.523 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.496 17.222 -21.038 1.00 0.00 H new ATOM 1254 N ARG A 81 0.603 15.108 -18.636 1.00 0.00 N ATOM 1255 CA ARG A 81 0.237 13.734 -18.316 1.00 0.00 C ATOM 1256 C ARG A 81 0.076 13.575 -16.813 1.00 0.00 C ATOM 1257 O ARG A 81 -0.528 12.618 -16.326 1.00 0.00 O ATOM 1258 CB ARG A 81 1.288 12.755 -18.837 1.00 0.00 C ATOM 1259 CG ARG A 81 1.256 12.573 -20.348 1.00 0.00 C ATOM 1260 CD ARG A 81 2.269 11.535 -20.813 1.00 0.00 C ATOM 1261 NE ARG A 81 2.237 11.344 -22.263 1.00 0.00 N ATOM 1262 CZ ARG A 81 2.970 10.443 -22.921 1.00 0.00 C ATOM 1263 NH1 ARG A 81 3.804 9.652 -22.256 1.00 0.00 N ATOM 1264 NH2 ARG A 81 2.865 10.339 -24.242 1.00 0.00 N ATOM 0 H ARG A 81 1.594 15.246 -18.833 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.712 13.509 -18.804 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.277 13.106 -18.543 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.139 11.787 -18.360 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.256 12.269 -20.657 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.463 13.527 -20.834 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.269 11.845 -20.511 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.067 10.585 -20.318 1.00 0.00 H new ATOM 0 HE ARG A 81 1.613 11.939 -22.808 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.885 9.733 -21.242 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.364 8.964 -22.759 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.225 10.947 -24.752 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.425 9.651 -24.745 1.00 0.00 H new ATOM 1278 N THR A 82 0.643 14.514 -16.090 1.00 0.00 N ATOM 1279 CA THR A 82 0.503 14.578 -14.650 1.00 0.00 C ATOM 1280 C THR A 82 -0.601 15.563 -14.280 1.00 0.00 C ATOM 1281 O THR A 82 -1.739 15.171 -14.011 1.00 0.00 O ATOM 1282 CB THR A 82 1.832 14.971 -13.980 1.00 0.00 C ATOM 1283 OG1 THR A 82 2.882 14.120 -14.461 1.00 0.00 O ATOM 1284 CG2 THR A 82 1.740 14.855 -12.464 1.00 0.00 C ATOM 0 H THR A 82 1.217 15.259 -16.485 1.00 0.00 H new ATOM 0 HA THR A 82 0.230 13.588 -14.284 1.00 0.00 H new ATOM 0 HB THR A 82 2.047 16.009 -14.232 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.728 14.372 -14.035 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.694 15.139 -12.019 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.956 15.517 -12.095 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.504 13.826 -12.191 1.00 0.00 H new ATOM 1292 N ARG A 83 -0.257 16.839 -14.269 1.00 0.00 N ATOM 1293 CA ARG A 83 -1.225 17.891 -14.004 1.00 0.00 C ATOM 1294 C ARG A 83 -2.177 18.033 -15.183 1.00 0.00 C ATOM 1295 O ARG A 83 -1.753 18.210 -16.325 1.00 0.00 O ATOM 1296 CB ARG A 83 -0.518 19.220 -13.743 1.00 0.00 C ATOM 1297 CG ARG A 83 0.198 19.283 -12.403 1.00 0.00 C ATOM 1298 CD ARG A 83 0.973 20.583 -12.239 1.00 0.00 C ATOM 1299 NE ARG A 83 0.182 21.753 -12.621 1.00 0.00 N ATOM 1300 CZ ARG A 83 -0.060 22.791 -11.823 1.00 0.00 C ATOM 1301 NH1 ARG A 83 0.348 22.781 -10.558 1.00 0.00 N ATOM 1302 NH2 ARG A 83 -0.736 23.830 -12.291 1.00 0.00 N ATOM 0 H ARG A 83 0.691 17.174 -14.442 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.794 17.620 -13.115 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.205 19.398 -14.539 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.250 20.026 -13.791 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.530 19.189 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.881 18.438 -12.316 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.291 20.685 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.877 20.544 -12.847 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.211 21.775 -13.562 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.851 21.973 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.158 23.581 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.067 23.831 -13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.926 24.629 -11.686 1.00 0.00 H new ATOM 1316 N HIS A 84 -3.463 17.961 -14.898 1.00 0.00 N ATOM 1317 CA HIS A 84 -4.477 17.986 -15.942 1.00 0.00 C ATOM 1318 C HIS A 84 -4.934 19.416 -16.216 1.00 0.00 C ATOM 1319 O HIS A 84 -4.847 20.279 -15.335 1.00 0.00 O ATOM 1320 CB HIS A 84 -5.675 17.100 -15.557 1.00 0.00 C ATOM 1321 CG HIS A 84 -6.481 17.610 -14.396 1.00 0.00 C ATOM 1322 ND1 HIS A 84 -7.691 18.246 -14.550 1.00 0.00 N ATOM 1323 CD2 HIS A 84 -6.249 17.566 -13.062 1.00 0.00 C ATOM 1324 CE1 HIS A 84 -8.168 18.578 -13.366 1.00 0.00 C ATOM 1325 NE2 HIS A 84 -7.314 18.177 -12.447 1.00 0.00 N ATOM 0 H HIS A 84 -3.834 17.884 -13.951 1.00 0.00 H new ATOM 0 HA HIS A 84 -4.035 17.587 -16.855 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.330 17.001 -16.422 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -5.310 16.101 -15.318 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -8.149 18.432 -15.442 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.389 17.132 -12.574 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.100 19.091 -13.181 1.00 0.00 H new ATOM 1334 N PRO A 85 -5.405 19.687 -17.444 1.00 0.00 N ATOM 1335 CA PRO A 85 -5.943 20.995 -17.820 1.00 0.00 C ATOM 1336 C PRO A 85 -7.115 21.423 -16.939 1.00 0.00 C ATOM 1337 O PRO A 85 -7.607 20.658 -16.109 1.00 0.00 O ATOM 1338 CB PRO A 85 -6.413 20.794 -19.260 1.00 0.00 C ATOM 1339 CG PRO A 85 -5.632 19.636 -19.764 1.00 0.00 C ATOM 1340 CD PRO A 85 -5.412 18.748 -18.575 1.00 0.00 C ATOM 0 HA PRO A 85 -5.197 21.781 -17.705 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.484 20.595 -19.301 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.231 21.684 -19.862 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.174 19.111 -20.550 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.683 19.960 -20.192 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.204 18.006 -18.476 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.471 18.202 -18.650 1.00 0.00 H new ATOM 1348 N ALA A 86 -7.584 22.634 -17.149 1.00 0.00 N ATOM 1349 CA ALA A 86 -8.601 23.206 -16.280 1.00 0.00 C ATOM 1350 C ALA A 86 -9.719 23.858 -17.077 1.00 0.00 C ATOM 1351 O ALA A 86 -10.419 24.735 -16.579 1.00 0.00 O ATOM 1352 CB ALA A 86 -7.970 24.206 -15.321 1.00 0.00 C ATOM 0 H ALA A 86 -7.282 23.243 -17.909 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.044 22.394 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.741 24.627 -14.676 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.221 23.702 -14.710 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.496 25.006 -15.890 1.00 0.00 H new ATOM 1358 N GLU A 87 -9.911 23.394 -18.299 1.00 0.00 N ATOM 1359 CA GLU A 87 -10.972 23.910 -19.164 1.00 0.00 C ATOM 1360 C GLU A 87 -12.354 23.673 -18.547 1.00 0.00 C ATOM 1361 O GLU A 87 -13.323 24.347 -18.883 1.00 0.00 O ATOM 1362 CB GLU A 87 -10.905 23.281 -20.563 1.00 0.00 C ATOM 1363 CG GLU A 87 -9.730 23.761 -21.411 1.00 0.00 C ATOM 1364 CD GLU A 87 -8.407 23.118 -21.035 1.00 0.00 C ATOM 1365 OE1 GLU A 87 -7.796 23.535 -20.026 1.00 0.00 O ATOM 1366 OE2 GLU A 87 -7.966 22.195 -21.755 1.00 0.00 O ATOM 0 H GLU A 87 -9.346 22.657 -18.722 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.816 24.984 -19.261 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.845 22.198 -20.459 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.833 23.499 -21.092 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.941 23.553 -22.460 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.640 24.843 -21.313 1.00 0.00 H new ATOM 1373 N SER A 88 -12.430 22.709 -17.642 1.00 0.00 N ATOM 1374 CA SER A 88 -13.674 22.369 -16.962 1.00 0.00 C ATOM 1375 C SER A 88 -14.137 23.491 -16.021 1.00 0.00 C ATOM 1376 O SER A 88 -15.336 23.686 -15.819 1.00 0.00 O ATOM 1377 CB SER A 88 -13.472 21.072 -16.168 1.00 0.00 C ATOM 1378 OG SER A 88 -14.627 20.721 -15.424 1.00 0.00 O ATOM 0 H SER A 88 -11.633 22.140 -17.357 1.00 0.00 H new ATOM 0 HA SER A 88 -14.450 22.235 -17.716 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.222 20.262 -16.853 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.626 21.189 -15.491 1.00 0.00 H new ATOM 0 HG SER A 88 -14.460 19.889 -14.933 1.00 0.00 H new ATOM 1384 N CYS A 89 -13.187 24.249 -15.475 1.00 0.00 N ATOM 1385 CA CYS A 89 -13.488 25.181 -14.387 1.00 0.00 C ATOM 1386 C CYS A 89 -14.357 26.350 -14.842 1.00 0.00 C ATOM 1387 O CYS A 89 -15.074 26.935 -14.035 1.00 0.00 O ATOM 1388 CB CYS A 89 -12.201 25.711 -13.749 1.00 0.00 C ATOM 1389 SG CYS A 89 -11.232 26.807 -14.812 1.00 0.00 S ATOM 0 H CYS A 89 -12.209 24.237 -15.765 1.00 0.00 H new ATOM 0 HA CYS A 89 -14.054 24.617 -13.646 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -12.458 26.246 -12.835 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -11.579 24.864 -13.459 1.00 0.00 H new ATOM 0 HG CYS A 89 -10.802 26.143 -15.844 1.00 0.00 H new ATOM 1395 N LEU A 90 -14.316 26.670 -16.129 1.00 0.00 N ATOM 1396 CA LEU A 90 -14.995 27.861 -16.639 1.00 0.00 C ATOM 1397 C LEU A 90 -16.515 27.692 -16.642 1.00 0.00 C ATOM 1398 O LEU A 90 -17.257 28.672 -16.755 1.00 0.00 O ATOM 1399 CB LEU A 90 -14.473 28.226 -18.043 1.00 0.00 C ATOM 1400 CG LEU A 90 -14.566 27.134 -19.123 1.00 0.00 C ATOM 1401 CD1 LEU A 90 -15.970 27.040 -19.700 1.00 0.00 C ATOM 1402 CD2 LEU A 90 -13.556 27.400 -20.230 1.00 0.00 C ATOM 0 H LEU A 90 -13.823 26.127 -16.838 1.00 0.00 H new ATOM 0 HA LEU A 90 -14.766 28.685 -15.963 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.024 29.099 -18.394 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.429 28.524 -17.950 1.00 0.00 H new ATOM 0 HG LEU A 90 -14.335 26.178 -18.653 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -16.000 26.259 -20.460 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -16.675 26.799 -18.904 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -16.243 27.994 -20.150 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -13.633 26.620 -20.987 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -13.762 28.369 -20.685 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.550 27.402 -19.812 1.00 0.00 H new ATOM 1414 N GLU A 91 -16.976 26.455 -16.517 1.00 0.00 N ATOM 1415 CA GLU A 91 -18.404 26.176 -16.520 1.00 0.00 C ATOM 1416 C GLU A 91 -19.043 26.479 -15.170 1.00 0.00 C ATOM 1417 O GLU A 91 -20.056 27.177 -15.106 1.00 0.00 O ATOM 1418 CB GLU A 91 -18.669 24.722 -16.910 1.00 0.00 C ATOM 1419 CG GLU A 91 -18.775 24.504 -18.409 1.00 0.00 C ATOM 1420 CD GLU A 91 -19.994 25.183 -19.003 1.00 0.00 C ATOM 1421 OE1 GLU A 91 -21.074 24.554 -19.033 1.00 0.00 O ATOM 1422 OE2 GLU A 91 -19.886 26.353 -19.429 1.00 0.00 O ATOM 0 H GLU A 91 -16.383 25.631 -16.413 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.859 26.833 -17.261 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.867 24.097 -16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.593 24.390 -16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.877 24.885 -18.894 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -18.820 23.435 -18.616 1.00 0.00 H new ATOM 1429 N HIS A 92 -18.432 25.972 -14.095 1.00 0.00 N ATOM 1430 CA HIS A 92 -19.019 26.055 -12.752 1.00 0.00 C ATOM 1431 C HIS A 92 -20.347 25.299 -12.720 1.00 0.00 C ATOM 1432 O HIS A 92 -20.699 24.603 -13.673 1.00 0.00 O ATOM 1433 CB HIS A 92 -19.247 27.515 -12.315 1.00 0.00 C ATOM 1434 CG HIS A 92 -17.991 28.296 -12.074 1.00 0.00 C ATOM 1435 ND1 HIS A 92 -17.570 28.677 -10.817 1.00 0.00 N ATOM 1436 CD2 HIS A 92 -17.080 28.793 -12.940 1.00 0.00 C ATOM 1437 CE1 HIS A 92 -16.448 29.366 -10.922 1.00 0.00 C ATOM 1438 NE2 HIS A 92 -16.131 29.451 -12.200 1.00 0.00 N ATOM 0 H HIS A 92 -17.529 25.499 -14.128 1.00 0.00 H new ATOM 0 HA HIS A 92 -18.314 25.602 -12.055 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -19.834 28.022 -13.081 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -19.843 27.519 -11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.096 28.691 -14.015 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.886 29.788 -10.102 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.312 29.929 -12.577 1.00 0.00 H new ATOM 1447 N HIS A 93 -21.075 25.408 -11.619 1.00 0.00 N ATOM 1448 CA HIS A 93 -22.422 24.846 -11.558 1.00 0.00 C ATOM 1449 C HIS A 93 -23.454 25.927 -11.256 1.00 0.00 C ATOM 1450 O HIS A 93 -24.653 25.700 -11.403 1.00 0.00 O ATOM 1451 CB HIS A 93 -22.515 23.685 -10.556 1.00 0.00 C ATOM 1452 CG HIS A 93 -21.962 23.969 -9.190 1.00 0.00 C ATOM 1453 ND1 HIS A 93 -20.658 23.698 -8.844 1.00 0.00 N ATOM 1454 CD2 HIS A 93 -22.548 24.467 -8.075 1.00 0.00 C ATOM 1455 CE1 HIS A 93 -20.467 24.013 -7.578 1.00 0.00 C ATOM 1456 NE2 HIS A 93 -21.596 24.481 -7.087 1.00 0.00 N ATOM 0 H HIS A 93 -20.765 25.873 -10.766 1.00 0.00 H new ATOM 0 HA HIS A 93 -22.647 24.435 -12.542 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -23.562 23.399 -10.454 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -21.989 22.826 -10.971 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -23.574 24.792 -7.981 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -19.540 23.905 -7.035 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -21.739 24.801 -6.129 1.00 0.00 H new ATOM 1465 N HIS A 94 -22.961 27.096 -10.838 1.00 0.00 N ATOM 1466 CA HIS A 94 -23.778 28.305 -10.676 1.00 0.00 C ATOM 1467 C HIS A 94 -25.021 28.096 -9.815 1.00 0.00 C ATOM 1468 O HIS A 94 -26.077 27.706 -10.310 1.00 0.00 O ATOM 1469 CB HIS A 94 -24.184 28.866 -12.043 1.00 0.00 C ATOM 1470 CG HIS A 94 -23.070 29.564 -12.755 1.00 0.00 C ATOM 1471 ND1 HIS A 94 -22.405 29.025 -13.837 1.00 0.00 N ATOM 1472 CD2 HIS A 94 -22.502 30.771 -12.533 1.00 0.00 C ATOM 1473 CE1 HIS A 94 -21.478 29.873 -14.245 1.00 0.00 C ATOM 1474 NE2 HIS A 94 -21.519 30.936 -13.470 1.00 0.00 N ATOM 0 H HIS A 94 -21.978 27.233 -10.601 1.00 0.00 H new ATOM 0 HA HIS A 94 -23.148 29.021 -10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -24.550 28.051 -12.668 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -25.012 29.562 -11.910 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -22.774 31.474 -11.760 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -20.802 29.720 -15.073 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -20.914 31.753 -13.555 1.00 0.00 H new ATOM 1483 N HIS A 95 -24.901 28.381 -8.527 1.00 0.00 N ATOM 1484 CA HIS A 95 -26.056 28.332 -7.644 1.00 0.00 C ATOM 1485 C HIS A 95 -26.879 29.601 -7.822 1.00 0.00 C ATOM 1486 O HIS A 95 -26.394 30.706 -7.573 1.00 0.00 O ATOM 1487 CB HIS A 95 -25.627 28.173 -6.180 1.00 0.00 C ATOM 1488 CG HIS A 95 -26.780 27.978 -5.241 1.00 0.00 C ATOM 1489 ND1 HIS A 95 -27.259 26.736 -4.889 1.00 0.00 N ATOM 1490 CD2 HIS A 95 -27.548 28.875 -4.579 1.00 0.00 C ATOM 1491 CE1 HIS A 95 -28.274 26.876 -4.058 1.00 0.00 C ATOM 1492 NE2 HIS A 95 -28.472 28.165 -3.854 1.00 0.00 N ATOM 0 H HIS A 95 -24.026 28.646 -8.074 1.00 0.00 H new ATOM 0 HA HIS A 95 -26.662 27.465 -7.906 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -24.952 27.321 -6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -25.065 29.056 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -27.451 29.950 -4.615 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -28.846 26.072 -3.619 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -29.193 28.567 -3.256 1.00 0.00 H new ATOM 1501 N HIS A 96 -28.114 29.441 -8.273 1.00 0.00 N ATOM 1502 CA HIS A 96 -28.984 30.583 -8.546 1.00 0.00 C ATOM 1503 C HIS A 96 -29.367 31.310 -7.259 1.00 0.00 C ATOM 1504 O HIS A 96 -29.782 30.683 -6.282 1.00 0.00 O ATOM 1505 CB HIS A 96 -30.247 30.143 -9.304 1.00 0.00 C ATOM 1506 CG HIS A 96 -31.163 29.250 -8.520 1.00 0.00 C ATOM 1507 ND1 HIS A 96 -32.357 29.685 -7.985 1.00 0.00 N ATOM 1508 CD2 HIS A 96 -31.056 27.944 -8.185 1.00 0.00 C ATOM 1509 CE1 HIS A 96 -32.941 28.685 -7.352 1.00 0.00 C ATOM 1510 NE2 HIS A 96 -32.172 27.616 -7.458 1.00 0.00 N ATOM 0 H HIS A 96 -28.540 28.533 -8.459 1.00 0.00 H new ATOM 0 HA HIS A 96 -28.425 31.276 -9.175 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -30.800 31.031 -9.610 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -29.947 29.625 -10.215 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -30.242 27.282 -8.442 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -33.888 28.733 -6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -32.375 26.697 -7.064 1.00 0.00 H new ATOM 1519 N HIS A 97 -29.208 32.631 -7.280 1.00 0.00 N ATOM 1520 CA HIS A 97 -29.555 33.499 -6.155 1.00 0.00 C ATOM 1521 C HIS A 97 -28.714 33.157 -4.925 1.00 0.00 C ATOM 1522 O HIS A 97 -29.179 32.370 -4.074 1.00 0.00 O ATOM 1523 CB HIS A 97 -31.053 33.409 -5.834 1.00 0.00 C ATOM 1524 CG HIS A 97 -31.528 34.471 -4.888 1.00 0.00 C ATOM 1525 ND1 HIS A 97 -31.663 34.271 -3.532 1.00 0.00 N ATOM 1526 CD2 HIS A 97 -31.905 35.754 -5.116 1.00 0.00 C ATOM 1527 CE1 HIS A 97 -32.104 35.380 -2.967 1.00 0.00 C ATOM 1528 NE2 HIS A 97 -32.259 36.294 -3.905 1.00 0.00 N ATOM 1529 OXT HIS A 97 -27.585 33.678 -4.820 1.00 0.00 O ATOM 0 H HIS A 97 -28.832 33.134 -8.084 1.00 0.00 H new ATOM 0 HA HIS A 97 -29.333 34.527 -6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -31.620 33.481 -6.762 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -31.266 32.430 -5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -31.923 36.257 -6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -32.304 35.516 -1.914 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -32.589 37.248 -3.755 1.00 0.00 H new TER 1538 HIS A 97