USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1045 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 87 ASN : amide:sc= -12.5! C(o=-20!,f=-25!) USER MOD Set 1.2: A 90 GLN : amide:sc= -7.76! C(o=-20!,f=-20!) USER MOD Set 2.1: A 51 SER OG : rot 114:sc= -0.582! USER MOD Set 2.2: A 84 THR OG1 : rot -130:sc= -5.26! USER MOD Set 3.1: A 62 TYR OH : rot 122:sc= 0.991 USER MOD Set 3.2: A 63 ASN : amide:sc= -0.254 X(o=0.74,f=0.53) USER MOD Set 4.1: A 50 ASN : amide:sc= -10.3! C(o=-10!,f=-7.6!) USER MOD Set 4.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 22 GLN : amide:sc= -7.87! C(o=-7.4!,f=-19!) USER MOD Set 5.2: A 25 LYS NZ :NH3+ -169:sc= 0.418 (180deg=0) USER MOD Set 6.1: A 16 MET CE :methyl 162:sc= -10.9! (180deg=-6.77!) USER MOD Set 6.2: A 144 THR OG1 : rot 13:sc= -3.82! USER MOD Set 7.1: A 3 HIS : no HE2:sc= -19.3! C(o=-21!,f=-27!) USER MOD Set 7.2: A 13 SER OG : rot 18:sc= 1.4 USER MOD Set 7.3: A 153 LYS NZ :NH3+ -115:sc= -3.31! (180deg=-3.04!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 0:sc= -3.42! USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= 0.697 (180deg=0.0978!) USER MOD Single : A 21 THR OG1 : rot 14:sc= 0.715 USER MOD Single : A 24 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.57) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -164:sc= -9.16! (180deg=-10.4!) USER MOD Single : A 30 THR OG1 : rot 135:sc= -7.46! USER MOD Single : A 34 ASN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 56:sc= -1.81! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1.2) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 66 THR OG1 : rot 180:sc= -3.64! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -61:sc= -0.355! USER MOD Single : A 71 THR OG1 : rot 128:sc= -2.67! USER MOD Single : A 72 THR OG1 : rot 18:sc= 0.2 USER MOD Single : A 76 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.32) USER MOD Single : A 79 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.047) USER MOD Single : A 83 SER OG : rot 59:sc= -1.8! USER MOD Single : A 85 THR OG1 : rot 60:sc= -1.74! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 115:sc= 1.16 USER MOD Single : A 92 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.3) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -11:sc= 0.252 USER MOD Single : A 98 THR OG1 : rot -95:sc= -2.18! USER MOD Single : A 105 GLN : amide:sc= -8.22! C(o=-8.2!,f=-7.5!) USER MOD Single : A 106 THR OG1 : rot 5:sc= 0.837 USER MOD Single : A 110 ASN : amide:sc= -2.45 K(o=-2.4,f=-0.87) USER MOD Single : A 111 SER OG : rot 91:sc= -2.2! USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 117 HIS : no HD1:sc= -5.19! C(o=-5.2!,f=-3.5!) USER MOD Single : A 122 TYR OH : rot -153:sc= 0.0956 USER MOD Single : A 123 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.41) USER MOD Single : A 124 ASN : amide:sc= -3.69! C(o=-3.7!,f=-2.7!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 66:sc= 1.1 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc=0.000925 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0483) USER MOD Single : A 145 THR OG1 : rot -80:sc= 0.17 USER MOD Single : A 146 GLN : amide:sc= -0.0104 K(o=-0.01,f=-0.92) USER MOD Single : A 147 ASN : amide:sc= -3.32! K(o=-3.3!,f=-2.2) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 7.836 -3.241 18.689 1.00 0.00 N ATOM 32 CA HIS A 3 6.780 -3.967 17.992 1.00 0.00 C ATOM 33 C HIS A 3 5.403 -3.482 18.432 1.00 0.00 C ATOM 34 O HIS A 3 5.138 -3.331 19.625 1.00 0.00 O ATOM 35 CB HIS A 3 6.908 -5.470 18.248 1.00 0.00 C ATOM 36 CG HIS A 3 6.715 -6.304 17.020 1.00 0.00 C ATOM 37 ND1 HIS A 3 7.691 -7.137 16.515 1.00 0.00 N ATOM 38 CD2 HIS A 3 5.648 -6.435 16.196 1.00 0.00 C ATOM 39 CE1 HIS A 3 7.235 -7.740 15.432 1.00 0.00 C ATOM 40 NE2 HIS A 3 5.997 -7.332 15.218 1.00 0.00 N ATOM 0 HA HIS A 3 6.889 -3.777 16.924 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.893 -5.677 18.667 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.174 -5.766 18.998 1.00 0.00 H new ATOM 0 HD1 HIS A 3 8.620 -7.267 16.915 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.699 -5.928 16.291 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.781 -8.446 14.825 1.00 0.00 H new ATOM 49 N CYS A 4 4.529 -3.243 17.461 1.00 0.00 N ATOM 50 CA CYS A 4 3.176 -2.780 17.746 1.00 0.00 C ATOM 51 C CYS A 4 2.151 -3.835 17.344 1.00 0.00 C ATOM 52 O CYS A 4 2.034 -4.186 16.170 1.00 0.00 O ATOM 53 CB CYS A 4 2.896 -1.469 17.009 1.00 0.00 C ATOM 54 SG CYS A 4 4.318 -0.332 16.953 1.00 0.00 S ATOM 0 H CYS A 4 4.733 -3.362 16.469 1.00 0.00 H new ATOM 0 HA CYS A 4 3.093 -2.606 18.819 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.586 -1.697 15.989 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.059 -0.964 17.492 1.00 0.00 H new ATOM 59 N VAL A 5 1.415 -4.341 18.327 1.00 0.00 N ATOM 60 CA VAL A 5 0.404 -5.361 18.076 1.00 0.00 C ATOM 61 C VAL A 5 -0.945 -4.734 17.742 1.00 0.00 C ATOM 62 O VAL A 5 -1.444 -3.881 18.476 1.00 0.00 O ATOM 63 CB VAL A 5 0.237 -6.295 19.288 1.00 0.00 C ATOM 64 CG1 VAL A 5 -0.641 -7.484 18.930 1.00 0.00 C ATOM 65 CG2 VAL A 5 1.595 -6.757 19.796 1.00 0.00 C ATOM 0 H VAL A 5 1.499 -4.062 19.304 1.00 0.00 H new ATOM 0 HA VAL A 5 0.750 -5.943 17.222 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.254 -5.740 20.087 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.747 -8.133 19.799 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.624 -7.130 18.619 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.182 -8.043 18.114 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.458 -7.416 20.653 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.116 -7.295 19.004 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.185 -5.891 20.095 1.00 0.00 H new ATOM 75 N THR A 6 -1.532 -5.166 16.630 1.00 0.00 N ATOM 76 CA THR A 6 -2.824 -4.651 16.199 1.00 0.00 C ATOM 77 C THR A 6 -3.963 -5.349 16.934 1.00 0.00 C ATOM 78 O THR A 6 -3.921 -6.560 17.157 1.00 0.00 O ATOM 79 CB THR A 6 -3.022 -4.830 14.682 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.668 -6.079 14.415 1.00 0.00 O ATOM 81 CG2 THR A 6 -1.689 -4.777 13.952 1.00 0.00 C ATOM 0 H THR A 6 -1.132 -5.872 16.012 1.00 0.00 H new ATOM 0 HA THR A 6 -2.837 -3.587 16.436 1.00 0.00 H new ATOM 0 HB THR A 6 -3.648 -4.014 14.322 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.791 -6.184 13.448 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.855 -4.906 12.882 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.214 -3.813 14.132 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.042 -5.574 14.318 1.00 0.00 H new ATOM 89 N ASP A 7 -4.979 -4.577 17.308 1.00 0.00 N ATOM 90 CA ASP A 7 -6.132 -5.117 18.021 1.00 0.00 C ATOM 91 C ASP A 7 -6.592 -6.434 17.404 1.00 0.00 C ATOM 92 O ASP A 7 -7.192 -7.271 18.078 1.00 0.00 O ATOM 93 CB ASP A 7 -7.281 -4.108 18.011 1.00 0.00 C ATOM 94 CG ASP A 7 -8.072 -4.145 16.718 1.00 0.00 C ATOM 95 OD1 ASP A 7 -8.619 -5.218 16.387 1.00 0.00 O ATOM 96 OD2 ASP A 7 -8.146 -3.100 16.037 1.00 0.00 O ATOM 0 H ASP A 7 -5.027 -3.574 17.129 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.831 -5.308 19.051 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.948 -4.313 18.848 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.881 -3.105 18.161 1.00 0.00 H new ATOM 101 N SER A 8 -6.305 -6.613 16.118 1.00 0.00 N ATOM 102 CA SER A 8 -6.690 -7.830 15.412 1.00 0.00 C ATOM 103 C SER A 8 -5.955 -9.043 15.972 1.00 0.00 C ATOM 104 O SER A 8 -6.264 -10.183 15.623 1.00 0.00 O ATOM 105 CB SER A 8 -6.398 -7.689 13.916 1.00 0.00 C ATOM 106 OG SER A 8 -7.235 -8.538 13.151 1.00 0.00 O ATOM 0 H SER A 8 -5.808 -5.932 15.544 1.00 0.00 H new ATOM 0 HA SER A 8 -7.760 -7.980 15.556 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.547 -6.654 13.609 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.353 -7.932 13.722 1.00 0.00 H new ATOM 0 HG SER A 8 -7.030 -8.428 12.199 1.00 0.00 H new ATOM 112 N GLY A 9 -4.982 -8.793 16.842 1.00 0.00 N ATOM 113 CA GLY A 9 -4.220 -9.875 17.434 1.00 0.00 C ATOM 114 C GLY A 9 -2.972 -10.203 16.639 1.00 0.00 C ATOM 115 O GLY A 9 -2.544 -11.355 16.588 1.00 0.00 O ATOM 0 H GLY A 9 -4.708 -7.859 17.147 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.939 -9.604 18.452 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.848 -10.763 17.503 1.00 0.00 H new ATOM 119 N VAL A 10 -2.389 -9.184 16.014 1.00 0.00 N ATOM 120 CA VAL A 10 -1.183 -9.371 15.214 1.00 0.00 C ATOM 121 C VAL A 10 -0.087 -8.394 15.630 1.00 0.00 C ATOM 122 O VAL A 10 -0.367 -7.258 16.010 1.00 0.00 O ATOM 123 CB VAL A 10 -1.473 -9.190 13.713 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.477 -9.981 12.878 1.00 0.00 C ATOM 125 CG2 VAL A 10 -2.899 -9.605 13.390 1.00 0.00 C ATOM 0 H VAL A 10 -2.731 -8.224 16.046 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.842 -10.391 15.392 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.363 -8.134 13.465 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.697 -9.841 11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.533 -9.630 13.088 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.553 -11.039 13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.085 -9.470 12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.041 -10.653 13.653 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.595 -8.990 13.961 1.00 0.00 H new ATOM 135 N VAL A 11 1.160 -8.847 15.552 1.00 0.00 N ATOM 136 CA VAL A 11 2.301 -8.015 15.916 1.00 0.00 C ATOM 137 C VAL A 11 3.122 -7.640 14.687 1.00 0.00 C ATOM 138 O VAL A 11 3.476 -8.499 13.880 1.00 0.00 O ATOM 139 CB VAL A 11 3.216 -8.727 16.933 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.824 -7.723 17.901 1.00 0.00 C ATOM 141 CG2 VAL A 11 2.448 -9.804 17.682 1.00 0.00 C ATOM 0 H VAL A 11 1.406 -9.786 15.240 1.00 0.00 H new ATOM 0 HA VAL A 11 1.899 -7.110 16.372 1.00 0.00 H new ATOM 0 HB VAL A 11 4.028 -9.207 16.387 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.466 -8.245 18.611 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.414 -6.994 17.346 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.028 -7.210 18.441 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.111 -10.295 18.395 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.613 -9.351 18.216 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.069 -10.540 16.973 1.00 0.00 H new ATOM 151 N TYR A 12 3.421 -6.352 14.550 1.00 0.00 N ATOM 152 CA TYR A 12 4.200 -5.864 13.417 1.00 0.00 C ATOM 153 C TYR A 12 5.265 -4.871 13.875 1.00 0.00 C ATOM 154 O TYR A 12 4.950 -3.753 14.282 1.00 0.00 O ATOM 155 CB TYR A 12 3.282 -5.203 12.388 1.00 0.00 C ATOM 156 CG TYR A 12 2.136 -6.084 11.945 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.337 -7.106 11.025 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.854 -5.893 12.444 1.00 0.00 C ATOM 159 CE1 TYR A 12 1.291 -7.913 10.616 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.195 -6.695 12.042 1.00 0.00 C ATOM 161 CZ TYR A 12 0.028 -7.703 11.128 1.00 0.00 C ATOM 162 OH TYR A 12 -1.016 -8.504 10.726 1.00 0.00 O ATOM 0 H TYR A 12 3.136 -5.628 15.209 1.00 0.00 H new ATOM 0 HA TYR A 12 4.698 -6.717 12.957 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.879 -4.283 12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.871 -4.922 11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.326 -7.273 10.623 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.675 -5.103 13.159 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.462 -8.703 9.900 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.185 -6.534 12.441 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.691 -9.166 10.081 1.00 0.00 H new ATOM 172 N SER A 13 6.525 -5.286 13.803 1.00 0.00 N ATOM 173 CA SER A 13 7.636 -4.431 14.208 1.00 0.00 C ATOM 174 C SER A 13 7.522 -3.055 13.564 1.00 0.00 C ATOM 175 O SER A 13 6.774 -2.867 12.605 1.00 0.00 O ATOM 176 CB SER A 13 8.969 -5.076 13.829 1.00 0.00 C ATOM 177 OG SER A 13 9.552 -5.736 14.940 1.00 0.00 O ATOM 0 H SER A 13 6.803 -6.209 13.468 1.00 0.00 H new ATOM 0 HA SER A 13 7.595 -4.311 15.291 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.814 -5.789 13.019 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.652 -4.313 13.456 1.00 0.00 H new ATOM 0 HG SER A 13 8.870 -5.882 15.629 1.00 0.00 H new ATOM 183 N VAL A 14 8.270 -2.096 14.097 1.00 0.00 N ATOM 184 CA VAL A 14 8.255 -0.737 13.579 1.00 0.00 C ATOM 185 C VAL A 14 8.407 -0.724 12.064 1.00 0.00 C ATOM 186 O VAL A 14 8.544 -1.773 11.435 1.00 0.00 O ATOM 187 CB VAL A 14 9.373 0.104 14.213 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.424 -0.140 15.713 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.716 -0.206 13.567 1.00 0.00 C ATOM 0 H VAL A 14 8.896 -2.237 14.890 1.00 0.00 H new ATOM 0 HA VAL A 14 7.290 -0.302 13.839 1.00 0.00 H new ATOM 0 HB VAL A 14 9.156 1.158 14.040 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.220 0.461 16.153 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.470 0.139 16.160 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.619 -1.195 15.904 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.492 0.401 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.951 -1.262 13.704 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.668 0.020 12.502 1.00 0.00 H new ATOM 199 N GLY A 15 8.373 0.470 11.479 1.00 0.00 N ATOM 200 CA GLY A 15 8.501 0.591 10.041 1.00 0.00 C ATOM 201 C GLY A 15 7.793 -0.533 9.312 1.00 0.00 C ATOM 202 O GLY A 15 8.205 -0.935 8.225 1.00 0.00 O ATOM 0 H GLY A 15 8.259 1.353 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.089 1.548 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.557 0.591 9.770 1.00 0.00 H new ATOM 206 N MET A 16 6.724 -1.044 9.918 1.00 0.00 N ATOM 207 CA MET A 16 5.957 -2.133 9.322 1.00 0.00 C ATOM 208 C MET A 16 4.496 -1.738 9.135 1.00 0.00 C ATOM 209 O MET A 16 3.778 -1.500 10.105 1.00 0.00 O ATOM 210 CB MET A 16 6.048 -3.385 10.194 1.00 0.00 C ATOM 211 CG MET A 16 5.628 -4.658 9.477 1.00 0.00 C ATOM 212 SD MET A 16 5.841 -6.131 10.495 1.00 0.00 S ATOM 213 CE MET A 16 6.841 -7.146 9.412 1.00 0.00 C ATOM 0 H MET A 16 6.371 -0.722 10.819 1.00 0.00 H new ATOM 0 HA MET A 16 6.384 -2.346 8.342 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.073 -3.498 10.547 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.421 -3.250 11.075 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.583 -4.575 9.179 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.212 -4.765 8.563 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.321 -7.934 9.992 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.208 -7.594 8.646 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.604 -6.529 8.937 1.00 0.00 H new ATOM 223 N GLN A 17 4.063 -1.672 7.880 1.00 0.00 N ATOM 224 CA GLN A 17 2.688 -1.307 7.565 1.00 0.00 C ATOM 225 C GLN A 17 1.831 -2.549 7.353 1.00 0.00 C ATOM 226 O GLN A 17 2.338 -3.613 7.000 1.00 0.00 O ATOM 227 CB GLN A 17 2.647 -0.427 6.314 1.00 0.00 C ATOM 228 CG GLN A 17 3.891 0.426 6.127 1.00 0.00 C ATOM 229 CD GLN A 17 4.107 0.833 4.683 1.00 0.00 C ATOM 230 OE1 GLN A 17 4.381 -0.006 3.824 1.00 0.00 O ATOM 231 NE2 GLN A 17 3.986 2.127 4.408 1.00 0.00 N ATOM 0 H GLN A 17 4.645 -1.867 7.065 1.00 0.00 H new ATOM 0 HA GLN A 17 2.284 -0.748 8.409 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.517 -1.062 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.775 0.225 6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.810 1.321 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.762 -0.126 6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.758 2.787 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.121 2.460 3.454 1.00 0.00 H new ATOM 240 N TRP A 18 0.527 -2.406 7.569 1.00 0.00 N ATOM 241 CA TRP A 18 -0.399 -3.518 7.398 1.00 0.00 C ATOM 242 C TRP A 18 -1.814 -3.017 7.126 1.00 0.00 C ATOM 243 O TRP A 18 -2.024 -1.833 6.867 1.00 0.00 O ATOM 244 CB TRP A 18 -0.383 -4.421 8.632 1.00 0.00 C ATOM 245 CG TRP A 18 -0.971 -3.790 9.858 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.289 -3.766 10.215 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.262 -3.101 10.895 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.442 -3.107 11.411 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.213 -2.690 11.849 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.085 -2.792 11.112 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.859 -1.989 13.000 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.433 -2.098 12.254 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.466 -1.705 13.186 1.00 0.00 C ATOM 0 H TRP A 18 0.089 -1.533 7.862 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.073 -4.098 6.535 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.932 -5.335 8.407 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.646 -4.711 8.844 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.094 -4.201 9.641 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.327 -2.953 11.894 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.839 -3.091 10.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.604 -1.681 13.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.470 -1.854 12.431 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.772 -1.166 14.071 1.00 0.00 H new ATOM 264 N LEU A 19 -2.781 -3.929 7.179 1.00 0.00 N ATOM 265 CA LEU A 19 -4.175 -3.579 6.931 1.00 0.00 C ATOM 266 C LEU A 19 -5.020 -3.787 8.182 1.00 0.00 C ATOM 267 O LEU A 19 -4.929 -4.823 8.840 1.00 0.00 O ATOM 268 CB LEU A 19 -4.734 -4.414 5.779 1.00 0.00 C ATOM 269 CG LEU A 19 -5.402 -3.609 4.661 1.00 0.00 C ATOM 270 CD1 LEU A 19 -4.485 -2.491 4.190 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.778 -4.519 3.502 1.00 0.00 C ATOM 0 H LEU A 19 -2.624 -4.914 7.391 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.216 -2.524 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.923 -5.001 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.460 -5.121 6.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.314 -3.161 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.975 -1.929 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.266 -1.824 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.556 -2.917 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.252 -3.931 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.881 -4.996 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.472 -5.284 3.850 1.00 0.00 H new ATOM 283 N LYS A 20 -5.841 -2.794 8.504 1.00 0.00 N ATOM 284 CA LYS A 20 -6.701 -2.866 9.677 1.00 0.00 C ATOM 285 C LYS A 20 -8.147 -2.550 9.313 1.00 0.00 C ATOM 286 O LYS A 20 -8.495 -2.449 8.137 1.00 0.00 O ATOM 287 CB LYS A 20 -6.206 -1.900 10.751 1.00 0.00 C ATOM 288 CG LYS A 20 -5.721 -2.596 12.010 1.00 0.00 C ATOM 289 CD LYS A 20 -6.885 -3.101 12.843 1.00 0.00 C ATOM 290 CE LYS A 20 -7.656 -1.952 13.473 1.00 0.00 C ATOM 291 NZ LYS A 20 -6.983 -1.435 14.696 1.00 0.00 N ATOM 0 H LYS A 20 -5.929 -1.930 7.969 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.662 -3.883 10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.395 -1.298 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.012 -1.214 11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.074 -3.431 11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.120 -1.905 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.555 -3.690 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.514 -3.764 13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.761 -1.145 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.662 -2.286 13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.362 -0.495 14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.156 -2.085 15.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.960 -1.363 14.525 1.00 0.00 H new ATOM 305 N THR A 21 -8.987 -2.395 10.332 1.00 0.00 N ATOM 306 CA THR A 21 -10.396 -2.091 10.120 1.00 0.00 C ATOM 307 C THR A 21 -10.845 -0.917 10.984 1.00 0.00 C ATOM 308 O THR A 21 -10.464 -0.811 12.149 1.00 0.00 O ATOM 309 CB THR A 21 -11.287 -3.308 10.428 1.00 0.00 C ATOM 310 OG1 THR A 21 -12.622 -3.070 9.967 1.00 0.00 O ATOM 311 CG2 THR A 21 -11.306 -3.600 11.921 1.00 0.00 C ATOM 0 H THR A 21 -8.715 -2.475 11.312 1.00 0.00 H new ATOM 0 HA THR A 21 -10.504 -1.826 9.068 1.00 0.00 H new ATOM 0 HB THR A 21 -10.874 -4.173 9.909 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.628 -2.294 9.369 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.942 -4.464 12.115 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.293 -3.811 12.263 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.697 -2.735 12.456 1.00 0.00 H new ATOM 319 N GLN A 22 -11.655 -0.038 10.403 1.00 0.00 N ATOM 320 CA GLN A 22 -12.156 1.129 11.120 1.00 0.00 C ATOM 321 C GLN A 22 -13.598 0.914 11.569 1.00 0.00 C ATOM 322 O GLN A 22 -14.454 1.779 11.376 1.00 0.00 O ATOM 323 CB GLN A 22 -12.065 2.375 10.237 1.00 0.00 C ATOM 324 CG GLN A 22 -11.256 3.502 10.857 1.00 0.00 C ATOM 325 CD GLN A 22 -11.359 4.794 10.071 1.00 0.00 C ATOM 326 OE1 GLN A 22 -11.866 4.814 8.949 1.00 0.00 O ATOM 327 NE2 GLN A 22 -10.874 5.883 10.656 1.00 0.00 N ATOM 0 H GLN A 22 -11.978 -0.112 9.438 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.536 1.274 12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.618 2.101 9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.072 2.735 10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.600 3.673 11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.210 3.202 10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.462 5.821 11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.913 6.781 10.174 1.00 0.00 H new ATOM 336 N GLY A 23 -13.859 -0.241 12.170 1.00 0.00 N ATOM 337 CA GLY A 23 -15.198 -0.549 12.639 1.00 0.00 C ATOM 338 C GLY A 23 -16.103 -1.045 11.530 1.00 0.00 C ATOM 339 O GLY A 23 -16.771 -2.069 11.676 1.00 0.00 O ATOM 0 H GLY A 23 -13.167 -0.971 12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.140 -1.306 13.422 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.636 0.342 13.089 1.00 0.00 H new ATOM 343 N ASN A 24 -16.125 -0.317 10.422 1.00 0.00 N ATOM 344 CA ASN A 24 -16.954 -0.684 9.280 1.00 0.00 C ATOM 345 C ASN A 24 -16.197 -0.493 7.972 1.00 0.00 C ATOM 346 O ASN A 24 -16.796 -0.238 6.927 1.00 0.00 O ATOM 347 CB ASN A 24 -18.237 0.150 9.267 1.00 0.00 C ATOM 348 CG ASN A 24 -18.018 1.540 8.703 1.00 0.00 C ATOM 349 OD1 ASN A 24 -17.208 2.310 9.219 1.00 0.00 O ATOM 350 ND2 ASN A 24 -18.741 1.868 7.639 1.00 0.00 N ATOM 0 H ASN A 24 -15.577 0.533 10.289 1.00 0.00 H new ATOM 0 HA ASN A 24 -17.214 -1.738 9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.995 -0.364 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.625 0.230 10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.637 2.790 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.401 1.198 7.244 1.00 0.00 H new ATOM 357 N LYS A 25 -14.875 -0.617 8.036 1.00 0.00 N ATOM 358 CA LYS A 25 -14.034 -0.457 6.856 1.00 0.00 C ATOM 359 C LYS A 25 -12.633 -1.003 7.111 1.00 0.00 C ATOM 360 O LYS A 25 -12.385 -1.653 8.127 1.00 0.00 O ATOM 361 CB LYS A 25 -13.955 1.017 6.455 1.00 0.00 C ATOM 362 CG LYS A 25 -13.254 1.890 7.483 1.00 0.00 C ATOM 363 CD LYS A 25 -13.504 3.367 7.223 1.00 0.00 C ATOM 364 CE LYS A 25 -12.359 3.998 6.448 1.00 0.00 C ATOM 365 NZ LYS A 25 -12.495 5.479 6.363 1.00 0.00 N ATOM 0 H LYS A 25 -14.363 -0.828 8.893 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.483 -1.023 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.430 1.098 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.964 1.396 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.605 1.631 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.182 1.692 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.432 3.487 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.633 3.888 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.414 3.747 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.326 3.578 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.807 5.852 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.458 5.722 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.315 5.898 7.297 1.00 0.00 H new ATOM 379 N GLN A 26 -11.720 -0.731 6.185 1.00 0.00 N ATOM 380 CA GLN A 26 -10.342 -1.194 6.311 1.00 0.00 C ATOM 381 C GLN A 26 -9.378 -0.014 6.368 1.00 0.00 C ATOM 382 O GLN A 26 -9.316 0.796 5.443 1.00 0.00 O ATOM 383 CB GLN A 26 -9.979 -2.107 5.137 1.00 0.00 C ATOM 384 CG GLN A 26 -11.092 -3.066 4.746 1.00 0.00 C ATOM 385 CD GLN A 26 -11.119 -3.353 3.258 1.00 0.00 C ATOM 386 OE1 GLN A 26 -10.746 -4.439 2.817 1.00 0.00 O ATOM 387 NE2 GLN A 26 -11.561 -2.376 2.475 1.00 0.00 N ATOM 0 H GLN A 26 -11.909 -0.193 5.339 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.257 -1.758 7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.721 -1.492 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.090 -2.682 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.968 -4.002 5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.051 -2.646 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.861 -1.491 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.601 -2.511 1.465 1.00 0.00 H new ATOM 396 N MET A 27 -8.627 0.080 7.462 1.00 0.00 N ATOM 397 CA MET A 27 -7.668 1.164 7.637 1.00 0.00 C ATOM 398 C MET A 27 -6.238 0.635 7.644 1.00 0.00 C ATOM 399 O MET A 27 -5.943 -0.376 8.281 1.00 0.00 O ATOM 400 CB MET A 27 -7.950 1.918 8.937 1.00 0.00 C ATOM 401 CG MET A 27 -8.887 3.102 8.763 1.00 0.00 C ATOM 402 SD MET A 27 -8.405 4.523 9.762 1.00 0.00 S ATOM 403 CE MET A 27 -7.238 5.326 8.667 1.00 0.00 C ATOM 0 H MET A 27 -8.665 -0.580 8.238 1.00 0.00 H new ATOM 0 HA MET A 27 -7.778 1.848 6.796 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.382 1.227 9.661 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.007 2.270 9.355 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.908 3.392 7.712 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.900 2.801 9.031 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.645 6.045 9.232 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.578 4.578 8.227 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.779 5.844 7.875 1.00 0.00 H new ATOM 413 N LEU A 28 -5.355 1.325 6.932 1.00 0.00 N ATOM 414 CA LEU A 28 -3.954 0.927 6.857 1.00 0.00 C ATOM 415 C LEU A 28 -3.173 1.463 8.052 1.00 0.00 C ATOM 416 O LEU A 28 -3.142 2.669 8.294 1.00 0.00 O ATOM 417 CB LEU A 28 -3.327 1.430 5.556 1.00 0.00 C ATOM 418 CG LEU A 28 -1.945 0.853 5.237 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.016 -0.068 4.029 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.943 1.973 5.000 1.00 0.00 C ATOM 0 H LEU A 28 -5.584 2.163 6.398 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.910 -0.162 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.001 1.196 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.248 2.516 5.605 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.610 0.268 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.024 -0.468 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.702 -0.889 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.373 0.492 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.034 1.545 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.273 2.585 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.871 2.592 5.894 1.00 0.00 H new ATOM 432 N CYS A 29 -2.547 0.559 8.800 1.00 0.00 N ATOM 433 CA CYS A 29 -1.771 0.945 9.972 1.00 0.00 C ATOM 434 C CYS A 29 -0.346 0.407 9.889 1.00 0.00 C ATOM 435 O CYS A 29 -0.100 -0.639 9.289 1.00 0.00 O ATOM 436 CB CYS A 29 -2.447 0.436 11.246 1.00 0.00 C ATOM 437 SG CYS A 29 -2.946 1.753 12.402 1.00 0.00 S ATOM 0 H CYS A 29 -2.562 -0.444 8.615 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.725 2.034 10.001 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.328 -0.143 10.970 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.766 -0.244 11.759 1.00 0.00 H new ATOM 442 N THR A 30 0.588 1.131 10.496 1.00 0.00 N ATOM 443 CA THR A 30 1.991 0.732 10.497 1.00 0.00 C ATOM 444 C THR A 30 2.620 0.959 11.864 1.00 0.00 C ATOM 445 O THR A 30 2.312 1.937 12.545 1.00 0.00 O ATOM 446 CB THR A 30 2.801 1.520 9.450 1.00 0.00 C ATOM 447 OG1 THR A 30 2.242 1.328 8.146 1.00 0.00 O ATOM 448 CG2 THR A 30 4.261 1.091 9.455 1.00 0.00 C ATOM 0 H THR A 30 0.398 2.000 10.995 1.00 0.00 H new ATOM 0 HA THR A 30 2.017 -0.329 10.249 1.00 0.00 H new ATOM 0 HB THR A 30 2.752 2.577 9.710 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.185 2.191 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.811 1.662 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.691 1.274 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.329 0.028 9.222 1.00 0.00 H new ATOM 456 N CYS A 31 3.511 0.057 12.259 1.00 0.00 N ATOM 457 CA CYS A 31 4.188 0.168 13.543 1.00 0.00 C ATOM 458 C CYS A 31 5.430 1.041 13.415 1.00 0.00 C ATOM 459 O CYS A 31 6.204 0.898 12.468 1.00 0.00 O ATOM 460 CB CYS A 31 4.576 -1.217 14.064 1.00 0.00 C ATOM 461 SG CYS A 31 5.564 -1.184 15.595 1.00 0.00 S ATOM 0 H CYS A 31 3.780 -0.758 11.708 1.00 0.00 H new ATOM 0 HA CYS A 31 3.503 0.632 14.253 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.669 -1.794 14.242 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.140 -1.740 13.291 1.00 0.00 H new ATOM 466 N LEU A 32 5.612 1.949 14.367 1.00 0.00 N ATOM 467 CA LEU A 32 6.760 2.848 14.350 1.00 0.00 C ATOM 468 C LEU A 32 7.342 3.021 15.750 1.00 0.00 C ATOM 469 O LEU A 32 8.132 3.933 15.996 1.00 0.00 O ATOM 470 CB LEU A 32 6.356 4.207 13.775 1.00 0.00 C ATOM 471 CG LEU A 32 5.902 4.182 12.313 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.579 4.916 12.154 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.966 4.794 11.415 1.00 0.00 C ATOM 0 H LEU A 32 4.982 2.082 15.158 1.00 0.00 H new ATOM 0 HA LEU A 32 7.528 2.406 13.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.550 4.617 14.383 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.202 4.889 13.866 1.00 0.00 H new ATOM 0 HG LEU A 32 5.756 3.144 12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.271 4.889 11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.819 4.434 12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.698 5.952 12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.627 4.768 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.143 5.827 11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.891 4.226 11.508 1.00 0.00 H new ATOM 485 N GLY A 33 6.951 2.137 16.662 1.00 0.00 N ATOM 486 CA GLY A 33 7.449 2.207 18.024 1.00 0.00 C ATOM 487 C GLY A 33 6.742 3.261 18.854 1.00 0.00 C ATOM 488 O GLY A 33 6.295 2.987 19.968 1.00 0.00 O ATOM 0 H GLY A 33 6.299 1.374 16.483 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.328 1.234 18.501 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.517 2.422 18.005 1.00 0.00 H new ATOM 492 N ASN A 34 6.644 4.472 18.314 1.00 0.00 N ATOM 493 CA ASN A 34 5.990 5.571 19.014 1.00 0.00 C ATOM 494 C ASN A 34 4.471 5.433 18.963 1.00 0.00 C ATOM 495 O ASN A 34 3.743 6.292 19.460 1.00 0.00 O ATOM 496 CB ASN A 34 6.411 6.911 18.408 1.00 0.00 C ATOM 497 CG ASN A 34 7.668 7.466 19.047 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.875 8.678 19.087 1.00 0.00 O ATOM 499 ND2 ASN A 34 8.517 6.578 19.551 1.00 0.00 N ATOM 0 H ASN A 34 7.009 4.717 17.394 1.00 0.00 H new ATOM 0 HA ASN A 34 6.302 5.535 20.058 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.576 6.787 17.338 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.600 7.630 18.524 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.381 6.892 19.993 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.305 5.582 19.496 1.00 0.00 H new ATOM 506 N GLY A 35 3.996 4.348 18.358 1.00 0.00 N ATOM 507 CA GLY A 35 2.568 4.122 18.254 1.00 0.00 C ATOM 508 C GLY A 35 2.112 3.980 16.816 1.00 0.00 C ATOM 509 O GLY A 35 2.290 4.893 16.009 1.00 0.00 O ATOM 0 H GLY A 35 4.576 3.622 17.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.304 3.221 18.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.036 4.951 18.721 1.00 0.00 H new ATOM 513 N VAL A 36 1.526 2.832 16.492 1.00 0.00 N ATOM 514 CA VAL A 36 1.050 2.577 15.139 1.00 0.00 C ATOM 515 C VAL A 36 0.036 3.628 14.704 1.00 0.00 C ATOM 516 O VAL A 36 -0.831 4.031 15.480 1.00 0.00 O ATOM 517 CB VAL A 36 0.414 1.178 15.014 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.634 0.963 16.095 1.00 0.00 C ATOM 519 CG2 VAL A 36 -0.190 0.981 13.630 1.00 0.00 C ATOM 0 H VAL A 36 1.370 2.066 17.147 1.00 0.00 H new ATOM 0 HA VAL A 36 1.922 2.626 14.487 1.00 0.00 H new ATOM 0 HB VAL A 36 1.200 0.435 15.151 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.069 -0.030 15.987 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.168 1.050 17.076 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.417 1.715 15.997 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.633 -0.013 13.564 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.960 1.733 13.458 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.590 1.081 12.875 1.00 0.00 H new ATOM 529 N SER A 37 0.149 4.062 13.453 1.00 0.00 N ATOM 530 CA SER A 37 -0.758 5.063 12.904 1.00 0.00 C ATOM 531 C SER A 37 -1.583 4.473 11.765 1.00 0.00 C ATOM 532 O SER A 37 -1.046 3.811 10.876 1.00 0.00 O ATOM 533 CB SER A 37 0.027 6.277 12.406 1.00 0.00 C ATOM 534 OG SER A 37 1.016 6.665 13.344 1.00 0.00 O ATOM 0 H SER A 37 0.861 3.736 12.800 1.00 0.00 H new ATOM 0 HA SER A 37 -1.435 5.381 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.499 6.042 11.452 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.656 7.108 12.228 1.00 0.00 H new ATOM 0 HG SER A 37 1.505 7.442 13.001 1.00 0.00 H new ATOM 540 N CYS A 38 -2.889 4.714 11.798 1.00 0.00 N ATOM 541 CA CYS A 38 -3.787 4.202 10.769 1.00 0.00 C ATOM 542 C CYS A 38 -4.118 5.284 9.747 1.00 0.00 C ATOM 543 O CYS A 38 -4.274 6.455 10.093 1.00 0.00 O ATOM 544 CB CYS A 38 -5.073 3.671 11.403 1.00 0.00 C ATOM 545 SG CYS A 38 -4.934 1.976 12.056 1.00 0.00 S ATOM 0 H CYS A 38 -3.349 5.260 12.526 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.281 3.386 10.254 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.369 4.338 12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.870 3.699 10.660 1.00 0.00 H new ATOM 550 N GLN A 39 -4.227 4.883 8.484 1.00 0.00 N ATOM 551 CA GLN A 39 -4.542 5.815 7.408 1.00 0.00 C ATOM 552 C GLN A 39 -5.300 5.114 6.287 1.00 0.00 C ATOM 553 O GLN A 39 -4.814 4.140 5.712 1.00 0.00 O ATOM 554 CB GLN A 39 -3.260 6.444 6.859 1.00 0.00 C ATOM 555 CG GLN A 39 -3.507 7.481 5.775 1.00 0.00 C ATOM 556 CD GLN A 39 -2.242 8.208 5.365 1.00 0.00 C ATOM 557 OE1 GLN A 39 -2.013 9.353 5.758 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.411 7.547 4.567 1.00 0.00 N ATOM 0 H GLN A 39 -4.101 3.917 8.181 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.178 6.601 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.714 6.911 7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.622 5.657 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.940 6.993 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.239 8.206 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.639 6.600 4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.545 7.987 4.256 1.00 0.00 H new ATOM 567 N GLU A 40 -6.491 5.615 5.980 1.00 0.00 N ATOM 568 CA GLU A 40 -7.317 5.035 4.928 1.00 0.00 C ATOM 569 C GLU A 40 -6.540 4.941 3.619 1.00 0.00 C ATOM 570 O GLU A 40 -5.595 5.695 3.390 1.00 0.00 O ATOM 571 CB GLU A 40 -8.583 5.871 4.726 1.00 0.00 C ATOM 572 CG GLU A 40 -8.392 7.348 5.025 1.00 0.00 C ATOM 573 CD GLU A 40 -7.152 7.921 4.365 1.00 0.00 C ATOM 574 OE1 GLU A 40 -6.052 7.774 4.940 1.00 0.00 O ATOM 575 OE2 GLU A 40 -7.280 8.516 3.275 1.00 0.00 O ATOM 0 H GLU A 40 -6.906 6.422 6.445 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.601 4.028 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.922 5.758 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.373 5.479 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.268 7.900 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.324 7.491 6.103 1.00 0.00 H new ATOM 636 N GLN A 45 -3.138 11.293 -6.744 1.00 0.00 N ATOM 637 CA GLN A 45 -3.391 12.344 -7.723 1.00 0.00 C ATOM 638 C GLN A 45 -3.632 11.751 -9.107 1.00 0.00 C ATOM 639 O GLN A 45 -3.266 10.606 -9.377 1.00 0.00 O ATOM 640 CB GLN A 45 -2.214 13.319 -7.772 1.00 0.00 C ATOM 641 CG GLN A 45 -1.275 13.204 -6.582 1.00 0.00 C ATOM 642 CD GLN A 45 -0.741 14.548 -6.126 1.00 0.00 C ATOM 643 OE1 GLN A 45 -1.157 15.077 -5.096 1.00 0.00 O ATOM 644 NE2 GLN A 45 0.184 15.109 -6.897 1.00 0.00 N ATOM 0 HA GLN A 45 -4.288 12.883 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.649 13.146 -8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.599 14.337 -7.822 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.800 12.727 -5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.439 12.556 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.500 14.634 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.579 16.015 -6.643 1.00 0.00 H new ATOM 653 N THR A 46 -4.250 12.536 -9.982 1.00 0.00 N ATOM 654 CA THR A 46 -4.541 12.091 -11.339 1.00 0.00 C ATOM 655 C THR A 46 -3.810 12.947 -12.368 1.00 0.00 C ATOM 656 O THR A 46 -3.294 14.018 -12.044 1.00 0.00 O ATOM 657 CB THR A 46 -6.052 12.136 -11.634 1.00 0.00 C ATOM 658 OG1 THR A 46 -6.580 13.424 -11.294 1.00 0.00 O ATOM 659 CG2 THR A 46 -6.789 11.059 -10.851 1.00 0.00 C ATOM 0 H THR A 46 -4.560 13.486 -9.775 1.00 0.00 H new ATOM 0 HA THR A 46 -4.194 11.061 -11.414 1.00 0.00 H new ATOM 0 HB THR A 46 -6.197 11.953 -12.699 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.080 14.119 -11.771 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.854 11.111 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.406 10.078 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.635 11.216 -9.783 1.00 0.00 H new ATOM 667 N TYR A 47 -3.768 12.470 -13.606 1.00 0.00 N ATOM 668 CA TYR A 47 -3.099 13.193 -14.681 1.00 0.00 C ATOM 669 C TYR A 47 -3.155 12.406 -15.986 1.00 0.00 C ATOM 670 O TYR A 47 -3.467 11.214 -15.991 1.00 0.00 O ATOM 671 CB TYR A 47 -1.643 13.474 -14.306 1.00 0.00 C ATOM 672 CG TYR A 47 -0.747 12.261 -14.398 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.253 11.831 -15.624 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.396 11.544 -13.262 1.00 0.00 C ATOM 675 CE1 TYR A 47 0.566 10.721 -15.713 1.00 0.00 C ATOM 676 CE2 TYR A 47 0.421 10.433 -13.342 1.00 0.00 C ATOM 677 CZ TYR A 47 0.900 10.025 -14.570 1.00 0.00 C ATOM 678 OH TYR A 47 1.715 8.920 -14.654 1.00 0.00 O ATOM 0 H TYR A 47 -4.189 11.586 -13.891 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.620 14.139 -14.826 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.253 14.254 -14.960 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.608 13.864 -13.289 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.513 12.373 -16.521 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.768 11.860 -12.299 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.943 10.400 -16.673 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.683 9.887 -12.448 1.00 0.00 H new ATOM 0 HH TYR A 47 1.853 8.547 -13.759 1.00 0.00 H new ATOM 688 N GLY A 48 -2.850 13.079 -17.091 1.00 0.00 N ATOM 689 CA GLY A 48 -2.871 12.426 -18.387 1.00 0.00 C ATOM 690 C GLY A 48 -4.207 11.776 -18.689 1.00 0.00 C ATOM 691 O GLY A 48 -5.173 11.951 -17.946 1.00 0.00 O ATOM 0 H GLY A 48 -2.589 14.065 -17.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.643 13.157 -19.162 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.087 11.670 -18.422 1.00 0.00 H new ATOM 695 N GLY A 49 -4.261 11.023 -19.784 1.00 0.00 N ATOM 696 CA GLY A 49 -5.491 10.355 -20.164 1.00 0.00 C ATOM 697 C GLY A 49 -6.431 11.264 -20.930 1.00 0.00 C ATOM 698 O GLY A 49 -6.061 12.375 -21.309 1.00 0.00 O ATOM 0 H GLY A 49 -3.475 10.864 -20.414 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.254 9.484 -20.775 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.994 9.989 -19.269 1.00 0.00 H new ATOM 702 N ASN A 50 -7.653 10.792 -21.158 1.00 0.00 N ATOM 703 CA ASN A 50 -8.650 11.571 -21.884 1.00 0.00 C ATOM 704 C ASN A 50 -9.467 12.434 -20.928 1.00 0.00 C ATOM 705 O ASN A 50 -10.617 12.770 -21.208 1.00 0.00 O ATOM 706 CB ASN A 50 -9.578 10.646 -22.674 1.00 0.00 C ATOM 707 CG ASN A 50 -9.883 9.359 -21.933 1.00 0.00 C ATOM 708 OD1 ASN A 50 -9.266 8.324 -22.185 1.00 0.00 O ATOM 709 ND2 ASN A 50 -10.839 9.417 -21.013 1.00 0.00 N ATOM 0 H ASN A 50 -7.976 9.875 -20.851 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.125 12.226 -22.580 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.511 11.168 -22.888 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.119 10.409 -23.634 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.088 8.582 -20.483 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.325 10.297 -20.837 1.00 0.00 H new ATOM 716 N SER A 51 -8.862 12.793 -19.799 1.00 0.00 N ATOM 717 CA SER A 51 -9.532 13.619 -18.803 1.00 0.00 C ATOM 718 C SER A 51 -8.574 14.660 -18.230 1.00 0.00 C ATOM 719 O SER A 51 -8.896 15.340 -17.256 1.00 0.00 O ATOM 720 CB SER A 51 -10.089 12.746 -17.677 1.00 0.00 C ATOM 721 OG SER A 51 -10.685 11.568 -18.191 1.00 0.00 O ATOM 0 H SER A 51 -7.909 12.524 -19.552 1.00 0.00 H new ATOM 0 HA SER A 51 -10.357 14.138 -19.291 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.287 12.481 -16.988 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.826 13.311 -17.106 1.00 0.00 H new ATOM 0 HG SER A 51 -10.162 10.788 -17.911 1.00 0.00 H new ATOM 727 N ASN A 52 -7.396 14.776 -18.840 1.00 0.00 N ATOM 728 CA ASN A 52 -6.386 15.730 -18.398 1.00 0.00 C ATOM 729 C ASN A 52 -5.761 15.296 -17.075 1.00 0.00 C ATOM 730 O ASN A 52 -4.541 15.167 -16.967 1.00 0.00 O ATOM 731 CB ASN A 52 -6.996 17.126 -18.257 1.00 0.00 C ATOM 732 CG ASN A 52 -5.993 18.149 -17.760 1.00 0.00 C ATOM 733 OD1 ASN A 52 -4.782 17.955 -17.875 1.00 0.00 O ATOM 734 ND2 ASN A 52 -6.492 19.244 -17.202 1.00 0.00 N ATOM 0 H ASN A 52 -7.118 14.217 -19.646 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.601 15.760 -19.153 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.390 17.446 -19.222 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.839 17.083 -17.567 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.865 19.967 -16.848 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.502 19.363 -17.127 1.00 0.00 H new ATOM 741 N GLY A 53 -6.603 15.074 -16.074 1.00 0.00 N ATOM 742 CA GLY A 53 -6.116 14.658 -14.772 1.00 0.00 C ATOM 743 C GLY A 53 -7.081 15.002 -13.656 1.00 0.00 C ATOM 744 O GLY A 53 -6.665 15.384 -12.562 1.00 0.00 O ATOM 0 H GLY A 53 -7.616 15.175 -16.140 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.942 13.582 -14.779 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.155 15.135 -14.577 1.00 0.00 H new ATOM 748 N GLU A 54 -8.374 14.870 -13.933 1.00 0.00 N ATOM 749 CA GLU A 54 -9.403 15.172 -12.945 1.00 0.00 C ATOM 750 C GLU A 54 -9.548 14.032 -11.943 1.00 0.00 C ATOM 751 O GLU A 54 -8.787 13.064 -11.969 1.00 0.00 O ATOM 752 CB GLU A 54 -10.742 15.432 -13.636 1.00 0.00 C ATOM 753 CG GLU A 54 -11.246 16.858 -13.470 1.00 0.00 C ATOM 754 CD GLU A 54 -11.839 17.419 -14.747 1.00 0.00 C ATOM 755 OE1 GLU A 54 -11.071 17.964 -15.569 1.00 0.00 O ATOM 756 OE2 GLU A 54 -13.070 17.314 -14.927 1.00 0.00 O ATOM 0 H GLU A 54 -8.734 14.556 -14.834 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.100 16.069 -12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.642 15.212 -14.699 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.487 14.743 -13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.999 16.884 -12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.423 17.495 -13.146 1.00 0.00 H new ATOM 763 N PRO A 55 -10.532 14.139 -11.041 1.00 0.00 N ATOM 764 CA PRO A 55 -10.794 13.129 -10.015 1.00 0.00 C ATOM 765 C PRO A 55 -11.450 11.882 -10.598 1.00 0.00 C ATOM 766 O PRO A 55 -11.967 11.905 -11.714 1.00 0.00 O ATOM 767 CB PRO A 55 -11.755 13.836 -9.042 1.00 0.00 C ATOM 768 CG PRO A 55 -11.803 15.265 -9.483 1.00 0.00 C ATOM 769 CD PRO A 55 -11.472 15.256 -10.945 1.00 0.00 C ATOM 0 HA PRO A 55 -9.876 12.781 -9.542 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.746 13.384 -9.073 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.400 13.756 -8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.790 15.694 -9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.089 15.870 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.357 15.098 -11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.023 16.195 -11.267 1.00 0.00 H new ATOM 777 N CYS A 56 -11.424 10.793 -9.836 1.00 0.00 N ATOM 778 CA CYS A 56 -12.016 9.539 -10.286 1.00 0.00 C ATOM 779 C CYS A 56 -13.449 9.402 -9.796 1.00 0.00 C ATOM 780 O CYS A 56 -14.013 10.327 -9.211 1.00 0.00 O ATOM 781 CB CYS A 56 -11.190 8.347 -9.799 1.00 0.00 C ATOM 782 SG CYS A 56 -9.536 8.226 -10.550 1.00 0.00 S ATOM 0 H CYS A 56 -11.001 10.754 -8.908 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.020 9.549 -11.376 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -11.081 8.413 -8.717 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.739 7.429 -10.008 1.00 0.00 H new ATOM 787 N VAL A 57 -14.031 8.238 -10.047 1.00 0.00 N ATOM 788 CA VAL A 57 -15.400 7.961 -9.644 1.00 0.00 C ATOM 789 C VAL A 57 -15.566 6.487 -9.297 1.00 0.00 C ATOM 790 O VAL A 57 -16.392 5.785 -9.881 1.00 0.00 O ATOM 791 CB VAL A 57 -16.385 8.344 -10.760 1.00 0.00 C ATOM 792 CG1 VAL A 57 -17.800 8.463 -10.214 1.00 0.00 C ATOM 793 CG2 VAL A 57 -15.943 9.643 -11.421 1.00 0.00 C ATOM 0 H VAL A 57 -13.572 7.466 -10.531 1.00 0.00 H new ATOM 0 HA VAL A 57 -15.618 8.562 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.386 7.556 -11.513 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.480 8.735 -11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -18.107 7.508 -9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -17.828 9.231 -9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.646 9.907 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.917 10.439 -10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.949 9.514 -11.849 1.00 0.00 H new ATOM 803 N LEU A 58 -14.759 6.025 -8.346 1.00 0.00 N ATOM 804 CA LEU A 58 -14.790 4.634 -7.915 1.00 0.00 C ATOM 805 C LEU A 58 -16.008 4.347 -7.045 1.00 0.00 C ATOM 806 O LEU A 58 -16.597 5.254 -6.458 1.00 0.00 O ATOM 807 CB LEU A 58 -13.512 4.299 -7.146 1.00 0.00 C ATOM 808 CG LEU A 58 -12.253 4.187 -8.007 1.00 0.00 C ATOM 809 CD1 LEU A 58 -11.011 4.472 -7.179 1.00 0.00 C ATOM 810 CD2 LEU A 58 -12.166 2.811 -8.643 1.00 0.00 C ATOM 0 H LEU A 58 -14.072 6.599 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.856 4.008 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.350 5.066 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.659 3.356 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.312 4.931 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.126 4.387 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.070 5.481 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.945 3.753 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.264 2.748 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.130 2.051 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.041 2.645 -9.271 1.00 0.00 H new ATOM 822 N PRO A 59 -16.397 3.067 -6.956 1.00 0.00 N ATOM 823 CA PRO A 59 -15.709 1.979 -7.647 1.00 0.00 C ATOM 824 C PRO A 59 -16.059 1.925 -9.129 1.00 0.00 C ATOM 825 O PRO A 59 -16.998 2.581 -9.580 1.00 0.00 O ATOM 826 CB PRO A 59 -16.211 0.711 -6.937 1.00 0.00 C ATOM 827 CG PRO A 59 -17.096 1.180 -5.823 1.00 0.00 C ATOM 828 CD PRO A 59 -17.532 2.572 -6.178 1.00 0.00 C ATOM 0 HA PRO A 59 -14.627 2.101 -7.607 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.760 0.070 -7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.377 0.124 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.957 0.522 -5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.561 1.172 -4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -18.454 2.573 -6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.713 3.180 -5.291 1.00 0.00 H new ATOM 836 N PHE A 60 -15.300 1.137 -9.881 1.00 0.00 N ATOM 837 CA PHE A 60 -15.532 0.991 -11.314 1.00 0.00 C ATOM 838 C PHE A 60 -15.047 -0.367 -11.806 1.00 0.00 C ATOM 839 O PHE A 60 -13.973 -0.831 -11.422 1.00 0.00 O ATOM 840 CB PHE A 60 -14.834 2.113 -12.088 1.00 0.00 C ATOM 841 CG PHE A 60 -13.340 1.964 -12.158 1.00 0.00 C ATOM 842 CD1 PHE A 60 -12.765 0.918 -12.864 1.00 0.00 C ATOM 843 CD2 PHE A 60 -12.511 2.870 -11.520 1.00 0.00 C ATOM 844 CE1 PHE A 60 -11.392 0.781 -12.930 1.00 0.00 C ATOM 845 CE2 PHE A 60 -11.137 2.739 -11.582 1.00 0.00 C ATOM 846 CZ PHE A 60 -10.576 1.692 -12.288 1.00 0.00 C ATOM 0 H PHE A 60 -14.518 0.589 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 60 -16.605 1.058 -11.491 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -15.234 2.146 -13.101 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.073 3.068 -11.620 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.398 0.202 -13.368 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.944 3.690 -10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.957 -0.038 -13.483 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.502 3.454 -11.079 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.502 1.586 -12.338 1.00 0.00 H new ATOM 856 N THR A 61 -15.846 -1.002 -12.657 1.00 0.00 N ATOM 857 CA THR A 61 -15.503 -2.306 -13.199 1.00 0.00 C ATOM 858 C THR A 61 -14.813 -2.174 -14.553 1.00 0.00 C ATOM 859 O THR A 61 -15.022 -1.198 -15.274 1.00 0.00 O ATOM 860 CB THR A 61 -16.757 -3.181 -13.360 1.00 0.00 C ATOM 861 OG1 THR A 61 -17.833 -2.402 -13.895 1.00 0.00 O ATOM 862 CG2 THR A 61 -17.175 -3.781 -12.026 1.00 0.00 C ATOM 0 H THR A 61 -16.738 -0.631 -12.985 1.00 0.00 H new ATOM 0 HA THR A 61 -14.820 -2.779 -12.493 1.00 0.00 H new ATOM 0 HB THR A 61 -16.519 -3.993 -14.047 1.00 0.00 H new ATOM 0 HG1 THR A 61 -18.627 -2.967 -13.996 1.00 0.00 H new ATOM 0 HG21 THR A 61 -18.064 -4.396 -12.166 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.366 -4.397 -11.635 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.395 -2.980 -11.320 1.00 0.00 H new ATOM 870 N TYR A 62 -13.993 -3.162 -14.894 1.00 0.00 N ATOM 871 CA TYR A 62 -13.276 -3.153 -16.163 1.00 0.00 C ATOM 872 C TYR A 62 -12.830 -4.562 -16.551 1.00 0.00 C ATOM 873 O TYR A 62 -12.223 -5.277 -15.755 1.00 0.00 O ATOM 874 CB TYR A 62 -12.070 -2.214 -16.090 1.00 0.00 C ATOM 875 CG TYR A 62 -10.964 -2.561 -17.060 1.00 0.00 C ATOM 876 CD1 TYR A 62 -11.066 -2.227 -18.402 1.00 0.00 C ATOM 877 CD2 TYR A 62 -9.817 -3.214 -16.630 1.00 0.00 C ATOM 878 CE1 TYR A 62 -10.058 -2.532 -19.291 1.00 0.00 C ATOM 879 CE2 TYR A 62 -8.802 -3.525 -17.514 1.00 0.00 C ATOM 880 CZ TYR A 62 -8.926 -3.182 -18.844 1.00 0.00 C ATOM 881 OH TYR A 62 -7.917 -3.487 -19.728 1.00 0.00 O ATOM 0 H TYR A 62 -13.809 -3.978 -14.310 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.957 -2.789 -16.932 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -12.403 -1.195 -16.284 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.670 -2.231 -15.076 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.951 -1.719 -18.757 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.717 -3.483 -15.589 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.154 -2.263 -20.333 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.916 -4.034 -17.165 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.082 -3.070 -19.429 1.00 0.00 H new ATOM 891 N ASN A 63 -13.142 -4.955 -17.782 1.00 0.00 N ATOM 892 CA ASN A 63 -12.778 -6.277 -18.283 1.00 0.00 C ATOM 893 C ASN A 63 -13.691 -7.360 -17.712 1.00 0.00 C ATOM 894 O ASN A 63 -13.622 -8.518 -18.122 1.00 0.00 O ATOM 895 CB ASN A 63 -11.321 -6.590 -17.936 1.00 0.00 C ATOM 896 CG ASN A 63 -10.447 -6.720 -19.168 1.00 0.00 C ATOM 897 OD1 ASN A 63 -10.858 -7.297 -20.175 1.00 0.00 O ATOM 898 ND2 ASN A 63 -9.235 -6.184 -19.093 1.00 0.00 N ATOM 0 H ASN A 63 -13.647 -4.376 -18.453 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.899 -6.268 -19.366 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.926 -5.802 -17.295 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.278 -7.517 -17.364 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.602 -6.241 -19.891 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.937 -5.715 -18.238 1.00 0.00 H new ATOM 905 N GLY A 64 -14.540 -6.982 -16.760 1.00 0.00 N ATOM 906 CA GLY A 64 -15.443 -7.937 -16.153 1.00 0.00 C ATOM 907 C GLY A 64 -15.285 -7.988 -14.648 1.00 0.00 C ATOM 908 O GLY A 64 -15.982 -8.744 -13.968 1.00 0.00 O ATOM 0 H GLY A 64 -14.617 -6.031 -16.400 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.471 -7.673 -16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.259 -8.927 -16.571 1.00 0.00 H new ATOM 912 N ARG A 65 -14.365 -7.183 -14.124 1.00 0.00 N ATOM 913 CA ARG A 65 -14.118 -7.142 -12.690 1.00 0.00 C ATOM 914 C ARG A 65 -14.500 -5.776 -12.117 1.00 0.00 C ATOM 915 O ARG A 65 -14.878 -4.867 -12.854 1.00 0.00 O ATOM 916 CB ARG A 65 -12.641 -7.467 -12.407 1.00 0.00 C ATOM 917 CG ARG A 65 -11.891 -6.395 -11.634 1.00 0.00 C ATOM 918 CD ARG A 65 -10.388 -6.617 -11.683 1.00 0.00 C ATOM 919 NE ARG A 65 -10.005 -7.896 -11.091 1.00 0.00 N ATOM 920 CZ ARG A 65 -9.855 -8.087 -9.784 1.00 0.00 C ATOM 921 NH1 ARG A 65 -10.056 -7.086 -8.938 1.00 0.00 N ATOM 922 NH2 ARG A 65 -9.506 -9.280 -9.322 1.00 0.00 N ATOM 0 H ARG A 65 -13.780 -6.552 -14.672 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.739 -7.892 -12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.589 -8.402 -11.848 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.132 -7.635 -13.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.128 -5.415 -12.047 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.225 -6.393 -10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.050 -6.581 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.884 -5.807 -11.155 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.844 -8.687 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.326 -6.167 -9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.940 -7.235 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.352 -10.053 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.391 -9.425 -8.319 1.00 0.00 H new ATOM 936 N THR A 66 -14.392 -5.643 -10.798 1.00 0.00 N ATOM 937 CA THR A 66 -14.723 -4.392 -10.126 1.00 0.00 C ATOM 938 C THR A 66 -13.509 -3.827 -9.396 1.00 0.00 C ATOM 939 O THR A 66 -13.045 -4.398 -8.409 1.00 0.00 O ATOM 940 CB THR A 66 -15.870 -4.579 -9.117 1.00 0.00 C ATOM 941 OG1 THR A 66 -17.046 -5.045 -9.789 1.00 0.00 O ATOM 942 CG2 THR A 66 -16.175 -3.274 -8.396 1.00 0.00 C ATOM 0 H THR A 66 -14.078 -6.386 -10.174 1.00 0.00 H new ATOM 0 HA THR A 66 -15.042 -3.693 -10.899 1.00 0.00 H new ATOM 0 HB THR A 66 -15.557 -5.319 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.770 -5.163 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.989 -3.431 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.287 -2.939 -7.860 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.468 -2.516 -9.123 1.00 0.00 H new ATOM 950 N PHE A 67 -12.998 -2.703 -9.887 1.00 0.00 N ATOM 951 CA PHE A 67 -11.836 -2.063 -9.279 1.00 0.00 C ATOM 952 C PHE A 67 -12.259 -0.921 -8.361 1.00 0.00 C ATOM 953 O PHE A 67 -13.194 -0.180 -8.664 1.00 0.00 O ATOM 954 CB PHE A 67 -10.891 -1.534 -10.359 1.00 0.00 C ATOM 955 CG PHE A 67 -10.588 -2.532 -11.440 1.00 0.00 C ATOM 956 CD1 PHE A 67 -11.532 -2.829 -12.409 1.00 0.00 C ATOM 957 CD2 PHE A 67 -9.359 -3.171 -11.487 1.00 0.00 C ATOM 958 CE1 PHE A 67 -11.257 -3.745 -13.407 1.00 0.00 C ATOM 959 CE2 PHE A 67 -9.078 -4.088 -12.483 1.00 0.00 C ATOM 960 CZ PHE A 67 -10.028 -4.374 -13.444 1.00 0.00 C ATOM 0 H PHE A 67 -13.369 -2.217 -10.703 1.00 0.00 H new ATOM 0 HA PHE A 67 -11.315 -2.813 -8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.332 -0.645 -10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -9.957 -1.224 -9.891 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -12.494 -2.339 -12.385 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.613 -2.950 -10.738 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.002 -3.968 -14.156 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.117 -4.580 -12.510 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.810 -5.089 -14.224 1.00 0.00 H new ATOM 970 N TYR A 68 -11.558 -0.780 -7.241 1.00 0.00 N ATOM 971 CA TYR A 68 -11.853 0.276 -6.281 1.00 0.00 C ATOM 972 C TYR A 68 -10.693 1.262 -6.196 1.00 0.00 C ATOM 973 O TYR A 68 -10.547 1.986 -5.211 1.00 0.00 O ATOM 974 CB TYR A 68 -12.138 -0.323 -4.902 1.00 0.00 C ATOM 975 CG TYR A 68 -13.317 -1.270 -4.886 1.00 0.00 C ATOM 976 CD1 TYR A 68 -13.155 -2.617 -5.186 1.00 0.00 C ATOM 977 CD2 TYR A 68 -14.593 -0.816 -4.572 1.00 0.00 C ATOM 978 CE1 TYR A 68 -14.231 -3.485 -5.173 1.00 0.00 C ATOM 979 CE2 TYR A 68 -15.673 -1.678 -4.557 1.00 0.00 C ATOM 980 CZ TYR A 68 -15.487 -3.011 -4.858 1.00 0.00 C ATOM 981 OH TYR A 68 -16.560 -3.871 -4.845 1.00 0.00 O ATOM 0 H TYR A 68 -10.781 -1.385 -6.976 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.739 0.812 -6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.251 -0.854 -4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.322 0.486 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.173 -2.992 -5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.743 0.227 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.089 -4.529 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.658 -1.310 -4.311 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.371 -3.378 -4.603 1.00 0.00 H new ATOM 991 N SER A 69 -9.871 1.281 -7.240 1.00 0.00 N ATOM 992 CA SER A 69 -8.719 2.174 -7.299 1.00 0.00 C ATOM 993 C SER A 69 -8.090 2.144 -8.688 1.00 0.00 C ATOM 994 O SER A 69 -8.765 1.867 -9.679 1.00 0.00 O ATOM 995 CB SER A 69 -7.683 1.774 -6.246 1.00 0.00 C ATOM 996 OG SER A 69 -8.237 0.878 -5.299 1.00 0.00 O ATOM 0 H SER A 69 -9.982 0.685 -8.060 1.00 0.00 H new ATOM 0 HA SER A 69 -9.059 3.189 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.826 1.309 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.315 2.665 -5.737 1.00 0.00 H new ATOM 0 HG SER A 69 -8.988 1.310 -4.840 1.00 0.00 H new ATOM 1002 N CYS A 70 -6.793 2.429 -8.755 1.00 0.00 N ATOM 1003 CA CYS A 70 -6.080 2.430 -10.028 1.00 0.00 C ATOM 1004 C CYS A 70 -5.827 1.003 -10.504 1.00 0.00 C ATOM 1005 O CYS A 70 -6.268 0.042 -9.874 1.00 0.00 O ATOM 1006 CB CYS A 70 -4.752 3.178 -9.896 1.00 0.00 C ATOM 1007 SG CYS A 70 -4.828 4.653 -8.829 1.00 0.00 S ATOM 0 H CYS A 70 -6.216 2.661 -7.946 1.00 0.00 H new ATOM 0 HA CYS A 70 -6.701 2.939 -10.765 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.001 2.495 -9.499 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.417 3.478 -10.889 1.00 0.00 H new ATOM 1012 N THR A 71 -5.113 0.873 -11.617 1.00 0.00 N ATOM 1013 CA THR A 71 -4.803 -0.438 -12.173 1.00 0.00 C ATOM 1014 C THR A 71 -3.985 -0.314 -13.454 1.00 0.00 C ATOM 1015 O THR A 71 -4.076 0.685 -14.167 1.00 0.00 O ATOM 1016 CB THR A 71 -6.084 -1.239 -12.473 1.00 0.00 C ATOM 1017 OG1 THR A 71 -5.752 -2.596 -12.788 1.00 0.00 O ATOM 1018 CG2 THR A 71 -6.850 -0.618 -13.633 1.00 0.00 C ATOM 0 H THR A 71 -4.739 1.658 -12.150 1.00 0.00 H new ATOM 0 HA THR A 71 -4.218 -0.968 -11.421 1.00 0.00 H new ATOM 0 HB THR A 71 -6.716 -1.217 -11.585 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.286 -3.201 -12.231 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.751 -1.200 -13.827 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.127 0.405 -13.380 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.221 -0.614 -14.524 1.00 0.00 H new ATOM 1026 N THR A 72 -3.185 -1.337 -13.739 1.00 0.00 N ATOM 1027 CA THR A 72 -2.350 -1.343 -14.934 1.00 0.00 C ATOM 1028 C THR A 72 -2.988 -2.174 -16.043 1.00 0.00 C ATOM 1029 O THR A 72 -2.568 -2.113 -17.199 1.00 0.00 O ATOM 1030 CB THR A 72 -0.946 -1.900 -14.638 1.00 0.00 C ATOM 1031 OG1 THR A 72 -1.049 -3.128 -13.908 1.00 0.00 O ATOM 1032 CG2 THR A 72 -0.123 -0.898 -13.841 1.00 0.00 C ATOM 0 H THR A 72 -3.098 -2.171 -13.159 1.00 0.00 H new ATOM 0 HA THR A 72 -2.260 -0.307 -15.261 1.00 0.00 H new ATOM 0 HB THR A 72 -0.445 -2.084 -15.588 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.955 -3.490 -14.002 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.865 -1.314 -13.644 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.021 0.025 -14.412 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.623 -0.687 -12.896 1.00 0.00 H new ATOM 1040 N GLU A 73 -4.005 -2.950 -15.683 1.00 0.00 N ATOM 1041 CA GLU A 73 -4.702 -3.794 -16.646 1.00 0.00 C ATOM 1042 C GLU A 73 -5.236 -2.965 -17.810 1.00 0.00 C ATOM 1043 O GLU A 73 -6.415 -2.619 -17.849 1.00 0.00 O ATOM 1044 CB GLU A 73 -5.853 -4.540 -15.966 1.00 0.00 C ATOM 1045 CG GLU A 73 -5.393 -5.551 -14.929 1.00 0.00 C ATOM 1046 CD GLU A 73 -4.969 -4.899 -13.626 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -3.875 -4.298 -13.593 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -5.730 -4.992 -12.641 1.00 0.00 O ATOM 0 H GLU A 73 -4.365 -3.012 -14.731 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.989 -4.520 -17.037 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.512 -3.816 -15.488 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.442 -5.054 -16.726 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.200 -6.257 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.559 -6.125 -15.332 1.00 0.00 H new ATOM 1055 N GLY A 74 -4.358 -2.652 -18.758 1.00 0.00 N ATOM 1056 CA GLY A 74 -4.759 -1.866 -19.910 1.00 0.00 C ATOM 1057 C GLY A 74 -3.637 -0.992 -20.435 1.00 0.00 C ATOM 1058 O GLY A 74 -3.512 -0.792 -21.643 1.00 0.00 O ATOM 0 H GLY A 74 -3.376 -2.929 -18.749 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.096 -2.534 -20.702 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.608 -1.238 -19.640 1.00 0.00 H new ATOM 1062 N ARG A 75 -2.820 -0.472 -19.527 1.00 0.00 N ATOM 1063 CA ARG A 75 -1.702 0.386 -19.906 1.00 0.00 C ATOM 1064 C ARG A 75 -0.564 -0.436 -20.501 1.00 0.00 C ATOM 1065 O ARG A 75 -0.422 -1.623 -20.206 1.00 0.00 O ATOM 1066 CB ARG A 75 -1.200 1.170 -18.692 1.00 0.00 C ATOM 1067 CG ARG A 75 -2.060 2.375 -18.348 1.00 0.00 C ATOM 1068 CD ARG A 75 -1.379 3.676 -18.736 1.00 0.00 C ATOM 1069 NE ARG A 75 -0.738 3.589 -20.045 1.00 0.00 N ATOM 1070 CZ ARG A 75 -1.374 3.807 -21.192 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -2.661 4.125 -21.189 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -0.722 3.709 -22.344 1.00 0.00 N ATOM 0 H ARG A 75 -2.910 -0.629 -18.523 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.054 1.087 -20.663 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.161 0.504 -17.830 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.180 1.504 -18.882 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.018 2.298 -18.862 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.271 2.379 -17.279 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.114 4.481 -18.745 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.633 3.933 -17.984 1.00 0.00 H new ATOM 0 HE ARG A 75 0.252 3.348 -20.081 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.165 4.203 -20.306 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.147 4.292 -22.070 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.269 3.466 -22.350 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.212 3.877 -23.223 1.00 0.00 H new ATOM 1086 N GLN A 76 0.244 0.203 -21.340 1.00 0.00 N ATOM 1087 CA GLN A 76 1.371 -0.469 -21.977 1.00 0.00 C ATOM 1088 C GLN A 76 2.695 0.129 -21.513 1.00 0.00 C ATOM 1089 O GLN A 76 3.693 0.088 -22.232 1.00 0.00 O ATOM 1090 CB GLN A 76 1.259 -0.367 -23.499 1.00 0.00 C ATOM 1091 CG GLN A 76 1.480 -1.688 -24.216 1.00 0.00 C ATOM 1092 CD GLN A 76 0.378 -2.692 -23.942 1.00 0.00 C ATOM 1093 OE1 GLN A 76 -0.594 -2.785 -24.693 1.00 0.00 O ATOM 1094 NE2 GLN A 76 0.523 -3.451 -22.862 1.00 0.00 N ATOM 0 H GLN A 76 0.140 1.185 -21.595 1.00 0.00 H new ATOM 0 HA GLN A 76 1.346 -1.519 -21.687 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.272 0.016 -23.757 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.987 0.359 -23.860 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.544 -1.508 -25.289 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.436 -2.110 -23.906 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.344 -3.340 -22.267 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.187 -4.145 -22.627 1.00 0.00 H new ATOM 1103 N ASP A 77 2.696 0.684 -20.305 1.00 0.00 N ATOM 1104 CA ASP A 77 3.898 1.290 -19.743 1.00 0.00 C ATOM 1105 C ASP A 77 3.946 1.103 -18.231 1.00 0.00 C ATOM 1106 O ASP A 77 4.226 2.044 -17.488 1.00 0.00 O ATOM 1107 CB ASP A 77 3.951 2.780 -20.087 1.00 0.00 C ATOM 1108 CG ASP A 77 2.577 3.358 -20.367 1.00 0.00 C ATOM 1109 OD1 ASP A 77 1.726 3.334 -19.454 1.00 0.00 O ATOM 1110 OD2 ASP A 77 2.354 3.835 -21.500 1.00 0.00 O ATOM 0 H ASP A 77 1.878 0.727 -19.697 1.00 0.00 H new ATOM 0 HA ASP A 77 4.764 0.792 -20.179 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.410 3.325 -19.262 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.588 2.926 -20.959 1.00 0.00 H new ATOM 1115 N GLY A 78 3.671 -0.117 -17.781 1.00 0.00 N ATOM 1116 CA GLY A 78 3.688 -0.405 -16.359 1.00 0.00 C ATOM 1117 C GLY A 78 3.066 0.704 -15.536 1.00 0.00 C ATOM 1118 O GLY A 78 3.411 0.888 -14.368 1.00 0.00 O ATOM 0 H GLY A 78 3.437 -0.912 -18.376 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.152 -1.336 -16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.717 -0.560 -16.035 1.00 0.00 H new ATOM 1122 N HIS A 79 2.146 1.446 -16.143 1.00 0.00 N ATOM 1123 CA HIS A 79 1.474 2.544 -15.457 1.00 0.00 C ATOM 1124 C HIS A 79 0.047 2.158 -15.080 1.00 0.00 C ATOM 1125 O HIS A 79 -0.598 1.372 -15.774 1.00 0.00 O ATOM 1126 CB HIS A 79 1.460 3.793 -16.341 1.00 0.00 C ATOM 1127 CG HIS A 79 2.408 4.858 -15.888 1.00 0.00 C ATOM 1128 ND1 HIS A 79 3.126 5.649 -16.760 1.00 0.00 N ATOM 1129 CD2 HIS A 79 2.756 5.265 -14.643 1.00 0.00 C ATOM 1130 CE1 HIS A 79 3.875 6.493 -16.073 1.00 0.00 C ATOM 1131 NE2 HIS A 79 3.667 6.281 -14.787 1.00 0.00 N ATOM 0 H HIS A 79 1.848 1.307 -17.109 1.00 0.00 H new ATOM 0 HA HIS A 79 2.026 2.760 -14.543 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.709 3.507 -17.363 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.450 4.202 -16.361 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.385 4.864 -13.711 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.543 7.231 -16.492 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.112 6.790 -14.023 1.00 0.00 H new ATOM 1140 N LEU A 80 -0.439 2.717 -13.977 1.00 0.00 N ATOM 1141 CA LEU A 80 -1.790 2.432 -13.508 1.00 0.00 C ATOM 1142 C LEU A 80 -2.746 3.560 -13.882 1.00 0.00 C ATOM 1143 O LEU A 80 -2.421 4.738 -13.732 1.00 0.00 O ATOM 1144 CB LEU A 80 -1.794 2.229 -11.991 1.00 0.00 C ATOM 1145 CG LEU A 80 -0.595 1.457 -11.438 1.00 0.00 C ATOM 1146 CD1 LEU A 80 0.638 2.345 -11.397 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -0.906 0.906 -10.056 1.00 0.00 C ATOM 0 H LEU A 80 0.082 3.370 -13.391 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.129 1.516 -13.992 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.831 3.206 -11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.706 1.701 -11.713 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.390 0.617 -12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.481 1.779 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.873 2.688 -12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.446 3.205 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.041 0.360 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.138 1.729 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.762 0.233 -10.117 1.00 0.00 H new ATOM 1159 N TRP A 81 -3.926 3.191 -14.368 1.00 0.00 N ATOM 1160 CA TRP A 81 -4.929 4.174 -14.760 1.00 0.00 C ATOM 1161 C TRP A 81 -6.093 4.184 -13.774 1.00 0.00 C ATOM 1162 O TRP A 81 -6.110 3.413 -12.814 1.00 0.00 O ATOM 1163 CB TRP A 81 -5.439 3.884 -16.173 1.00 0.00 C ATOM 1164 CG TRP A 81 -5.794 2.446 -16.400 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -4.932 1.392 -16.489 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -7.108 1.906 -16.572 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -5.630 0.227 -16.704 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -6.968 0.518 -16.759 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -8.391 2.462 -16.585 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -8.062 -0.321 -16.958 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -9.476 1.628 -16.782 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -9.305 0.251 -16.965 1.00 0.00 C ATOM 0 H TRP A 81 -4.211 2.221 -14.500 1.00 0.00 H new ATOM 0 HA TRP A 81 -4.460 5.158 -14.750 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -6.316 4.501 -16.367 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -4.676 4.179 -16.893 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.858 1.463 -16.403 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -5.219 -0.701 -16.806 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -8.532 3.523 -16.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -7.934 -1.384 -17.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.472 2.046 -16.795 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.173 -0.374 -17.115 1.00 0.00 H new ATOM 1183 N CYS A 82 -7.060 5.064 -14.011 1.00 0.00 N ATOM 1184 CA CYS A 82 -8.220 5.174 -13.136 1.00 0.00 C ATOM 1185 C CYS A 82 -9.435 5.701 -13.896 1.00 0.00 C ATOM 1186 O CYS A 82 -9.297 6.412 -14.891 1.00 0.00 O ATOM 1187 CB CYS A 82 -7.902 6.094 -11.957 1.00 0.00 C ATOM 1188 SG CYS A 82 -9.241 6.226 -10.730 1.00 0.00 S ATOM 0 H CYS A 82 -7.063 5.710 -14.800 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.458 4.178 -12.762 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -7.003 5.730 -11.459 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.675 7.089 -12.339 1.00 0.00 H new ATOM 1193 N SER A 83 -10.624 5.350 -13.416 1.00 0.00 N ATOM 1194 CA SER A 83 -11.866 5.787 -14.046 1.00 0.00 C ATOM 1195 C SER A 83 -12.318 7.130 -13.484 1.00 0.00 C ATOM 1196 O SER A 83 -12.067 7.443 -12.319 1.00 0.00 O ATOM 1197 CB SER A 83 -12.963 4.741 -13.842 1.00 0.00 C ATOM 1198 OG SER A 83 -14.121 5.061 -14.593 1.00 0.00 O ATOM 0 H SER A 83 -10.754 4.763 -12.592 1.00 0.00 H new ATOM 0 HA SER A 83 -11.680 5.904 -15.114 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.593 3.760 -14.139 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.218 4.679 -12.784 1.00 0.00 H new ATOM 0 HG SER A 83 -13.890 5.112 -15.544 1.00 0.00 H new ATOM 1204 N THR A 84 -12.983 7.924 -14.317 1.00 0.00 N ATOM 1205 CA THR A 84 -13.465 9.235 -13.901 1.00 0.00 C ATOM 1206 C THR A 84 -14.978 9.348 -14.043 1.00 0.00 C ATOM 1207 O THR A 84 -15.525 10.450 -14.067 1.00 0.00 O ATOM 1208 CB THR A 84 -12.801 10.359 -14.716 1.00 0.00 C ATOM 1209 OG1 THR A 84 -12.777 10.010 -16.105 1.00 0.00 O ATOM 1210 CG2 THR A 84 -11.384 10.615 -14.229 1.00 0.00 C ATOM 0 H THR A 84 -13.200 7.682 -15.284 1.00 0.00 H new ATOM 0 HA THR A 84 -13.198 9.345 -12.850 1.00 0.00 H new ATOM 0 HB THR A 84 -13.386 11.269 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.872 10.138 -16.459 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.935 11.413 -14.820 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.407 10.909 -13.180 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.792 9.706 -14.338 1.00 0.00 H new ATOM 1218 N THR A 85 -15.653 8.206 -14.137 1.00 0.00 N ATOM 1219 CA THR A 85 -17.105 8.192 -14.274 1.00 0.00 C ATOM 1220 C THR A 85 -17.686 6.835 -13.895 1.00 0.00 C ATOM 1221 O THR A 85 -17.209 5.796 -14.354 1.00 0.00 O ATOM 1222 CB THR A 85 -17.535 8.536 -15.711 1.00 0.00 C ATOM 1223 OG1 THR A 85 -16.610 7.973 -16.649 1.00 0.00 O ATOM 1224 CG2 THR A 85 -17.605 10.043 -15.904 1.00 0.00 C ATOM 0 H THR A 85 -15.220 7.283 -14.121 1.00 0.00 H new ATOM 0 HA THR A 85 -17.491 8.950 -13.592 1.00 0.00 H new ATOM 0 HB THR A 85 -18.525 8.114 -15.882 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.588 6.999 -16.543 1.00 0.00 H new ATOM 0 HG21 THR A 85 -17.911 10.265 -16.926 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.330 10.466 -15.209 1.00 0.00 H new ATOM 0 HG23 THR A 85 -16.624 10.480 -15.716 1.00 0.00 H new ATOM 1232 N SER A 86 -18.724 6.851 -13.061 1.00 0.00 N ATOM 1233 CA SER A 86 -19.372 5.618 -12.630 1.00 0.00 C ATOM 1234 C SER A 86 -19.411 4.618 -13.778 1.00 0.00 C ATOM 1235 O SER A 86 -19.196 3.422 -13.587 1.00 0.00 O ATOM 1236 CB SER A 86 -20.790 5.906 -12.135 1.00 0.00 C ATOM 1237 OG SER A 86 -21.599 4.744 -12.198 1.00 0.00 O ATOM 0 H SER A 86 -19.132 7.701 -12.673 1.00 0.00 H new ATOM 0 HA SER A 86 -18.797 5.191 -11.809 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.753 6.272 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.236 6.696 -12.739 1.00 0.00 H new ATOM 0 HG SER A 86 -22.500 4.955 -11.875 1.00 0.00 H new ATOM 1243 N ASN A 87 -19.666 5.130 -14.977 1.00 0.00 N ATOM 1244 CA ASN A 87 -19.715 4.302 -16.173 1.00 0.00 C ATOM 1245 C ASN A 87 -18.406 4.430 -16.943 1.00 0.00 C ATOM 1246 O ASN A 87 -18.347 5.077 -17.989 1.00 0.00 O ATOM 1247 CB ASN A 87 -20.892 4.713 -17.059 1.00 0.00 C ATOM 1248 CG ASN A 87 -21.833 3.559 -17.345 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -21.541 2.409 -17.016 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -22.969 3.861 -17.962 1.00 0.00 N ATOM 0 H ASN A 87 -19.843 6.120 -15.145 1.00 0.00 H new ATOM 0 HA ASN A 87 -19.854 3.262 -15.877 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -21.445 5.517 -16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -20.513 5.110 -18.000 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -23.641 3.126 -18.182 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -23.170 4.828 -18.216 1.00 0.00 H new ATOM 1257 N TYR A 88 -17.354 3.825 -16.404 1.00 0.00 N ATOM 1258 CA TYR A 88 -16.033 3.880 -17.019 1.00 0.00 C ATOM 1259 C TYR A 88 -16.103 3.644 -18.524 1.00 0.00 C ATOM 1260 O TYR A 88 -16.261 4.584 -19.303 1.00 0.00 O ATOM 1261 CB TYR A 88 -15.108 2.847 -16.373 1.00 0.00 C ATOM 1262 CG TYR A 88 -13.906 2.500 -17.220 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -13.321 3.449 -18.049 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -13.357 1.225 -17.194 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -12.223 3.138 -18.826 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -12.258 0.904 -17.968 1.00 0.00 C ATOM 1267 CZ TYR A 88 -11.694 1.864 -18.782 1.00 0.00 C ATOM 1268 OH TYR A 88 -10.601 1.550 -19.555 1.00 0.00 O ATOM 0 H TYR A 88 -17.391 3.288 -15.538 1.00 0.00 H new ATOM 0 HA TYR A 88 -15.633 4.880 -16.854 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.766 3.229 -15.411 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -15.675 1.938 -16.172 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -13.732 4.447 -18.086 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.796 0.471 -16.558 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.780 3.888 -19.465 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.843 -0.093 -17.936 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.839 1.342 -18.975 1.00 0.00 H new ATOM 1278 N GLU A 89 -15.968 2.386 -18.928 1.00 0.00 N ATOM 1279 CA GLU A 89 -15.999 2.030 -20.341 1.00 0.00 C ATOM 1280 C GLU A 89 -17.137 2.742 -21.066 1.00 0.00 C ATOM 1281 O GLU A 89 -17.078 2.953 -22.277 1.00 0.00 O ATOM 1282 CB GLU A 89 -16.143 0.516 -20.504 1.00 0.00 C ATOM 1283 CG GLU A 89 -15.233 -0.284 -19.586 1.00 0.00 C ATOM 1284 CD GLU A 89 -15.238 -1.765 -19.906 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -15.388 -2.116 -21.095 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -15.094 -2.576 -18.966 1.00 0.00 O ATOM 0 H GLU A 89 -15.836 1.596 -18.297 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.057 2.351 -20.787 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.178 0.235 -20.311 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.928 0.248 -21.538 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.215 0.098 -19.667 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.547 -0.138 -18.552 1.00 0.00 H new ATOM 1293 N GLN A 90 -18.173 3.110 -20.320 1.00 0.00 N ATOM 1294 CA GLN A 90 -19.321 3.798 -20.898 1.00 0.00 C ATOM 1295 C GLN A 90 -18.973 5.241 -21.252 1.00 0.00 C ATOM 1296 O GLN A 90 -19.299 5.719 -22.339 1.00 0.00 O ATOM 1297 CB GLN A 90 -20.502 3.768 -19.927 1.00 0.00 C ATOM 1298 CG GLN A 90 -21.646 2.879 -20.386 1.00 0.00 C ATOM 1299 CD GLN A 90 -21.864 1.692 -19.467 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -20.914 1.130 -18.921 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -23.122 1.302 -19.294 1.00 0.00 N ATOM 0 H GLN A 90 -18.241 2.944 -19.316 1.00 0.00 H new ATOM 0 HA GLN A 90 -19.600 3.278 -21.814 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -20.153 3.423 -18.954 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -20.875 4.783 -19.790 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -22.562 3.468 -20.437 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -21.441 2.521 -21.395 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -23.879 1.797 -19.766 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -23.331 0.508 -18.689 1.00 0.00 H new ATOM 1310 N ASP A 91 -18.309 5.929 -20.330 1.00 0.00 N ATOM 1311 CA ASP A 91 -17.918 7.318 -20.547 1.00 0.00 C ATOM 1312 C ASP A 91 -16.467 7.411 -21.009 1.00 0.00 C ATOM 1313 O ASP A 91 -15.907 8.502 -21.111 1.00 0.00 O ATOM 1314 CB ASP A 91 -18.109 8.129 -19.265 1.00 0.00 C ATOM 1315 CG ASP A 91 -19.567 8.431 -18.983 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -20.367 7.474 -18.901 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -19.911 9.623 -18.844 1.00 0.00 O ATOM 0 H ASP A 91 -18.030 5.548 -19.426 1.00 0.00 H new ATOM 0 HA ASP A 91 -18.556 7.730 -21.329 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -17.686 7.579 -18.424 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.556 9.065 -19.345 1.00 0.00 H new ATOM 1322 N GLN A 92 -15.861 6.260 -21.288 1.00 0.00 N ATOM 1323 CA GLN A 92 -14.475 6.214 -21.740 1.00 0.00 C ATOM 1324 C GLN A 92 -13.640 7.286 -21.047 1.00 0.00 C ATOM 1325 O GLN A 92 -12.713 7.840 -21.636 1.00 0.00 O ATOM 1326 CB GLN A 92 -14.406 6.397 -23.257 1.00 0.00 C ATOM 1327 CG GLN A 92 -13.621 5.306 -23.966 1.00 0.00 C ATOM 1328 CD GLN A 92 -14.468 4.089 -24.282 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -14.746 3.796 -25.445 1.00 0.00 O ATOM 1330 NE2 GLN A 92 -14.883 3.372 -23.244 1.00 0.00 N ATOM 0 H GLN A 92 -16.309 5.347 -21.209 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.066 5.238 -21.480 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -15.419 6.423 -23.658 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.951 7.363 -23.478 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.206 5.705 -24.891 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.779 5.006 -23.342 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.629 3.652 -22.297 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.456 2.542 -23.394 1.00 0.00 H new ATOM 1339 N LYS A 93 -13.974 7.572 -19.794 1.00 0.00 N ATOM 1340 CA LYS A 93 -13.254 8.577 -19.021 1.00 0.00 C ATOM 1341 C LYS A 93 -12.339 7.919 -17.993 1.00 0.00 C ATOM 1342 O LYS A 93 -12.783 7.105 -17.185 1.00 0.00 O ATOM 1343 CB LYS A 93 -14.239 9.514 -18.318 1.00 0.00 C ATOM 1344 CG LYS A 93 -13.800 10.970 -18.318 1.00 0.00 C ATOM 1345 CD LYS A 93 -14.315 11.705 -19.545 1.00 0.00 C ATOM 1346 CE LYS A 93 -14.920 13.050 -19.175 1.00 0.00 C ATOM 1347 NZ LYS A 93 -16.341 13.158 -19.606 1.00 0.00 N ATOM 0 H LYS A 93 -14.739 7.122 -19.291 1.00 0.00 H new ATOM 0 HA LYS A 93 -12.640 9.158 -19.710 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.211 9.436 -18.804 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.370 9.183 -17.288 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -14.166 11.462 -17.417 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -12.712 11.023 -18.290 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -13.498 11.854 -20.251 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.064 11.094 -20.049 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -14.856 13.192 -18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -14.339 13.849 -19.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.716 14.089 -19.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.400 13.048 -20.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.901 12.412 -19.146 1.00 0.00 H new ATOM 1361 N TYR A 94 -11.060 8.278 -18.031 1.00 0.00 N ATOM 1362 CA TYR A 94 -10.084 7.720 -17.102 1.00 0.00 C ATOM 1363 C TYR A 94 -8.926 8.689 -16.878 1.00 0.00 C ATOM 1364 O TYR A 94 -8.854 9.743 -17.509 1.00 0.00 O ATOM 1365 CB TYR A 94 -9.552 6.385 -17.628 1.00 0.00 C ATOM 1366 CG TYR A 94 -8.809 6.501 -18.940 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -7.619 7.213 -19.028 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -9.298 5.896 -20.091 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -6.938 7.319 -20.225 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -8.621 5.996 -21.292 1.00 0.00 C ATOM 1371 CZ TYR A 94 -7.442 6.709 -21.354 1.00 0.00 C ATOM 1372 OH TYR A 94 -6.766 6.812 -22.548 1.00 0.00 O ATOM 0 H TYR A 94 -10.676 8.951 -18.694 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.584 7.554 -16.148 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.888 5.949 -16.882 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.387 5.695 -17.753 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.220 7.691 -18.146 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.222 5.339 -20.047 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.015 7.877 -20.276 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.013 5.518 -22.177 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.255 6.325 -23.244 1.00 0.00 H new ATOM 1382 N SER A 95 -8.022 8.322 -15.974 1.00 0.00 N ATOM 1383 CA SER A 95 -6.867 9.156 -15.665 1.00 0.00 C ATOM 1384 C SER A 95 -5.764 8.333 -15.007 1.00 0.00 C ATOM 1385 O SER A 95 -6.032 7.488 -14.152 1.00 0.00 O ATOM 1386 CB SER A 95 -7.275 10.310 -14.749 1.00 0.00 C ATOM 1387 OG SER A 95 -8.180 11.184 -15.400 1.00 0.00 O ATOM 0 H SER A 95 -8.068 7.452 -15.443 1.00 0.00 H new ATOM 0 HA SER A 95 -6.483 9.564 -16.600 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.735 9.914 -13.844 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.388 10.864 -14.440 1.00 0.00 H new ATOM 0 HG SER A 95 -8.216 10.965 -16.355 1.00 0.00 H new ATOM 1393 N PHE A 96 -4.523 8.584 -15.412 1.00 0.00 N ATOM 1394 CA PHE A 96 -3.379 7.866 -14.863 1.00 0.00 C ATOM 1395 C PHE A 96 -3.042 8.361 -13.460 1.00 0.00 C ATOM 1396 O PHE A 96 -2.886 9.562 -13.236 1.00 0.00 O ATOM 1397 CB PHE A 96 -2.165 8.026 -15.780 1.00 0.00 C ATOM 1398 CG PHE A 96 -2.527 8.152 -17.231 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -3.520 7.358 -17.781 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -1.877 9.066 -18.045 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -3.859 7.473 -19.116 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -2.210 9.185 -19.380 1.00 0.00 C ATOM 1403 CZ PHE A 96 -3.202 8.386 -19.917 1.00 0.00 C ATOM 0 H PHE A 96 -4.284 9.280 -16.119 1.00 0.00 H new ATOM 0 HA PHE A 96 -3.642 6.810 -14.799 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.603 8.909 -15.475 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -1.506 7.168 -15.651 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.035 6.641 -17.159 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -1.101 9.693 -17.631 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.637 6.850 -19.532 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.696 9.901 -20.004 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.463 8.476 -20.961 1.00 0.00 H new ATOM 1413 N CYS A 97 -2.931 7.428 -12.519 1.00 0.00 N ATOM 1414 CA CYS A 97 -2.612 7.769 -11.138 1.00 0.00 C ATOM 1415 C CYS A 97 -1.138 8.130 -10.994 1.00 0.00 C ATOM 1416 O CYS A 97 -0.309 7.732 -11.812 1.00 0.00 O ATOM 1417 CB CYS A 97 -2.953 6.602 -10.209 1.00 0.00 C ATOM 1418 SG CYS A 97 -4.729 6.202 -10.137 1.00 0.00 S ATOM 0 H CYS A 97 -3.057 6.430 -12.688 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.211 8.635 -10.858 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.406 5.718 -10.537 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.604 6.838 -9.204 1.00 0.00 H new ATOM 1423 N THR A 98 -0.819 8.888 -9.951 1.00 0.00 N ATOM 1424 CA THR A 98 0.554 9.304 -9.705 1.00 0.00 C ATOM 1425 C THR A 98 1.196 8.478 -8.597 1.00 0.00 C ATOM 1426 O THR A 98 0.639 8.337 -7.508 1.00 0.00 O ATOM 1427 CB THR A 98 0.631 10.791 -9.327 1.00 0.00 C ATOM 1428 OG1 THR A 98 -0.687 11.329 -9.171 1.00 0.00 O ATOM 1429 CG2 THR A 98 1.379 11.569 -10.395 1.00 0.00 C ATOM 0 H THR A 98 -1.493 9.226 -9.264 1.00 0.00 H new ATOM 0 HA THR A 98 1.099 9.142 -10.635 1.00 0.00 H new ATOM 0 HB THR A 98 1.168 10.881 -8.383 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.969 11.752 -10.009 1.00 0.00 H new ATOM 0 HG21 THR A 98 1.426 12.621 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.390 11.174 -10.492 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.859 11.471 -11.348 1.00 0.00 H new ATOM 1481 N VAL A 102 0.934 0.541 -5.027 1.00 0.00 N ATOM 1482 CA VAL A 102 0.034 -0.298 -4.245 1.00 0.00 C ATOM 1483 C VAL A 102 0.785 -1.024 -3.132 1.00 0.00 C ATOM 1484 O VAL A 102 2.015 -1.036 -3.105 1.00 0.00 O ATOM 1485 CB VAL A 102 -0.676 -1.338 -5.130 1.00 0.00 C ATOM 1486 CG1 VAL A 102 -2.011 -1.738 -4.520 1.00 0.00 C ATOM 1487 CG2 VAL A 102 -0.866 -0.798 -6.540 1.00 0.00 C ATOM 0 HA VAL A 102 -0.712 0.364 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.049 -2.228 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -2.498 -2.474 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.845 -2.169 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.648 -0.858 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.369 -1.547 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.471 0.108 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.106 -0.568 -6.976 1.00 0.00 H new ATOM 1497 N LEU A 103 0.033 -1.628 -2.218 1.00 0.00 N ATOM 1498 CA LEU A 103 0.624 -2.357 -1.101 1.00 0.00 C ATOM 1499 C LEU A 103 0.316 -3.845 -1.203 1.00 0.00 C ATOM 1500 O LEU A 103 -0.755 -4.240 -1.665 1.00 0.00 O ATOM 1501 CB LEU A 103 0.114 -1.803 0.231 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.087 -0.288 0.281 1.00 0.00 C ATOM 1503 CD1 LEU A 103 0.822 0.414 -0.717 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -1.543 0.062 0.024 1.00 0.00 C ATOM 0 H LEU A 103 -0.987 -1.627 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 103 1.705 -2.225 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.835 -2.286 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.817 -2.085 1.015 1.00 0.00 H new ATOM 0 HG LEU A 103 0.180 0.060 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.660 1.490 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.862 0.191 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.596 0.064 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.669 1.144 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.837 -0.302 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.169 -0.404 0.785 1.00 0.00 H new ATOM 1516 N VAL A 104 1.264 -4.667 -0.763 1.00 0.00 N ATOM 1517 CA VAL A 104 1.099 -6.114 -0.797 1.00 0.00 C ATOM 1518 C VAL A 104 0.650 -6.641 0.563 1.00 0.00 C ATOM 1519 O VAL A 104 1.200 -6.266 1.597 1.00 0.00 O ATOM 1520 CB VAL A 104 2.412 -6.812 -1.209 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.402 -8.283 -0.811 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.649 -6.662 -2.702 1.00 0.00 C ATOM 0 H VAL A 104 2.155 -4.354 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 104 0.332 -6.338 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 104 3.232 -6.328 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.340 -8.748 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.288 -8.367 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.571 -8.788 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.579 -7.160 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.822 -7.114 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.716 -5.604 -2.955 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.351 -7.517 0.552 1.00 0.00 N ATOM 1533 CA GLN A 105 -0.871 -8.100 1.784 1.00 0.00 C ATOM 1534 C GLN A 105 -0.404 -9.545 1.936 1.00 0.00 C ATOM 1535 O GLN A 105 -1.017 -10.465 1.396 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.399 -8.040 1.796 1.00 0.00 C ATOM 1537 CG GLN A 105 -2.953 -6.778 2.437 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.391 -6.936 2.889 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -5.313 -6.939 2.073 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -4.590 -7.068 4.195 1.00 0.00 N ATOM 0 H GLN A 105 -0.818 -7.838 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.487 -7.521 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.765 -8.108 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.784 -8.908 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.335 -6.508 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.888 -5.955 1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.796 -7.060 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.537 -7.178 4.558 1.00 0.00 H new ATOM 1549 N THR A 106 0.685 -9.735 2.673 1.00 0.00 N ATOM 1550 CA THR A 106 1.235 -11.068 2.893 1.00 0.00 C ATOM 1551 C THR A 106 0.925 -11.572 4.295 1.00 0.00 C ATOM 1552 O THR A 106 0.449 -10.821 5.145 1.00 0.00 O ATOM 1553 CB THR A 106 2.759 -11.089 2.688 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.381 -10.111 3.530 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.110 -10.811 1.237 1.00 0.00 C ATOM 0 H THR A 106 1.204 -8.984 3.128 1.00 0.00 H new ATOM 0 HA THR A 106 0.763 -11.722 2.160 1.00 0.00 H new ATOM 0 HB THR A 106 3.126 -12.081 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.704 -9.695 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.193 -10.831 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.659 -11.573 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.730 -9.830 0.952 1.00 0.00 H new ATOM 1563 N ARG A 107 1.209 -12.849 4.529 1.00 0.00 N ATOM 1564 CA ARG A 107 0.968 -13.461 5.829 1.00 0.00 C ATOM 1565 C ARG A 107 1.716 -14.787 5.949 1.00 0.00 C ATOM 1566 O ARG A 107 1.816 -15.542 4.983 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.530 -13.686 6.043 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.134 -14.709 5.094 1.00 0.00 C ATOM 1569 CD ARG A 107 -0.894 -14.330 3.642 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.009 -14.722 2.783 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.097 -13.979 2.606 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -3.213 -12.812 3.224 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -4.068 -14.403 1.809 1.00 0.00 N ATOM 0 H ARG A 107 1.607 -13.480 3.834 1.00 0.00 H new ATOM 0 HA ARG A 107 1.337 -12.782 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.697 -14.012 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.052 -12.737 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.702 -15.690 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.205 -14.790 5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.741 -13.253 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.021 -14.807 3.289 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.949 -15.614 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.467 -12.483 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.049 -12.243 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.981 -15.300 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.903 -13.832 1.674 1.00 0.00 H new ATOM 1587 N GLY A 108 2.240 -15.060 7.139 1.00 0.00 N ATOM 1588 CA GLY A 108 2.972 -16.293 7.360 1.00 0.00 C ATOM 1589 C GLY A 108 4.471 -16.109 7.229 1.00 0.00 C ATOM 1590 O GLY A 108 4.942 -15.413 6.329 1.00 0.00 O ATOM 0 H GLY A 108 2.171 -14.450 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.742 -16.675 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.637 -17.044 6.644 1.00 0.00 H new ATOM 1594 N GLY A 109 5.221 -16.733 8.130 1.00 0.00 N ATOM 1595 CA GLY A 109 6.667 -16.622 8.095 1.00 0.00 C ATOM 1596 C GLY A 109 7.231 -15.984 9.350 1.00 0.00 C ATOM 1597 O GLY A 109 7.546 -16.677 10.318 1.00 0.00 O ATOM 0 H GLY A 109 4.854 -17.314 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.101 -17.614 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.962 -16.032 7.227 1.00 0.00 H new ATOM 1601 N ASN A 110 7.358 -14.662 9.335 1.00 0.00 N ATOM 1602 CA ASN A 110 7.888 -13.933 10.482 1.00 0.00 C ATOM 1603 C ASN A 110 7.293 -12.531 10.562 1.00 0.00 C ATOM 1604 O ASN A 110 7.821 -11.661 11.254 1.00 0.00 O ATOM 1605 CB ASN A 110 9.413 -13.848 10.396 1.00 0.00 C ATOM 1606 CG ASN A 110 10.088 -15.149 10.782 1.00 0.00 C ATOM 1607 OD1 ASN A 110 10.609 -15.289 11.888 1.00 0.00 O ATOM 1608 ND2 ASN A 110 10.081 -16.112 9.867 1.00 0.00 N ATOM 0 H ASN A 110 7.102 -14.073 8.542 1.00 0.00 H new ATOM 0 HA ASN A 110 7.610 -14.476 11.385 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.702 -13.580 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.767 -13.051 11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.519 -17.011 10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.637 -15.953 8.962 1.00 0.00 H new ATOM 1615 N SER A 111 6.191 -12.316 9.849 1.00 0.00 N ATOM 1616 CA SER A 111 5.528 -11.017 9.842 1.00 0.00 C ATOM 1617 C SER A 111 4.060 -11.146 10.237 1.00 0.00 C ATOM 1618 O SER A 111 3.366 -10.144 10.415 1.00 0.00 O ATOM 1619 CB SER A 111 5.640 -10.373 8.459 1.00 0.00 C ATOM 1620 OG SER A 111 6.232 -11.261 7.528 1.00 0.00 O ATOM 0 H SER A 111 5.739 -13.024 9.270 1.00 0.00 H new ATOM 0 HA SER A 111 6.025 -10.382 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.650 -10.082 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.235 -9.462 8.526 1.00 0.00 H new ATOM 0 HG SER A 111 5.532 -11.782 7.083 1.00 0.00 H new ATOM 1626 N ASN A 112 3.590 -12.383 10.372 1.00 0.00 N ATOM 1627 CA ASN A 112 2.203 -12.635 10.744 1.00 0.00 C ATOM 1628 C ASN A 112 1.266 -11.679 10.015 1.00 0.00 C ATOM 1629 O ASN A 112 0.908 -10.625 10.539 1.00 0.00 O ATOM 1630 CB ASN A 112 2.024 -12.491 12.256 1.00 0.00 C ATOM 1631 CG ASN A 112 2.814 -13.524 13.034 1.00 0.00 C ATOM 1632 OD1 ASN A 112 2.926 -14.678 12.620 1.00 0.00 O ATOM 1633 ND2 ASN A 112 3.369 -13.114 14.169 1.00 0.00 N ATOM 0 H ASN A 112 4.149 -13.224 10.229 1.00 0.00 H new ATOM 0 HA ASN A 112 1.953 -13.655 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.337 -11.493 12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.967 -12.584 12.504 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.913 -13.765 14.735 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.251 -12.148 14.475 1.00 0.00 H new ATOM 1640 N GLY A 113 0.876 -12.054 8.802 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.013 -11.218 8.017 1.00 0.00 C ATOM 1642 C GLY A 113 0.445 -9.774 7.974 1.00 0.00 C ATOM 1643 O GLY A 113 -0.168 -8.905 8.593 1.00 0.00 O ATOM 0 H GLY A 113 1.160 -12.922 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.073 -11.608 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.018 -11.266 8.436 1.00 0.00 H new ATOM 1647 N ALA A 114 1.529 -9.514 7.247 1.00 0.00 N ATOM 1648 CA ALA A 114 2.065 -8.163 7.139 1.00 0.00 C ATOM 1649 C ALA A 114 1.993 -7.645 5.710 1.00 0.00 C ATOM 1650 O ALA A 114 2.353 -8.344 4.763 1.00 0.00 O ATOM 1651 CB ALA A 114 3.499 -8.122 7.644 1.00 0.00 C ATOM 0 H ALA A 114 2.051 -10.219 6.726 1.00 0.00 H new ATOM 0 HA ALA A 114 1.450 -7.511 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.886 -7.107 7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.526 -8.433 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.114 -8.797 7.049 1.00 0.00 H new ATOM 1657 N LEU A 115 1.530 -6.408 5.563 1.00 0.00 N ATOM 1658 CA LEU A 115 1.414 -5.783 4.253 1.00 0.00 C ATOM 1659 C LEU A 115 2.784 -5.680 3.590 1.00 0.00 C ATOM 1660 O LEU A 115 3.464 -4.660 3.703 1.00 0.00 O ATOM 1661 CB LEU A 115 0.787 -4.393 4.386 1.00 0.00 C ATOM 1662 CG LEU A 115 0.926 -3.495 3.156 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.007 -3.957 2.051 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.649 -2.044 3.516 1.00 0.00 C ATOM 0 H LEU A 115 1.228 -5.818 6.338 1.00 0.00 H new ATOM 0 HA LEU A 115 0.770 -6.402 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.273 -4.510 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.241 -3.887 5.238 1.00 0.00 H new ATOM 0 HG LEU A 115 1.952 -3.568 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.106 -3.306 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.240 -4.981 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.037 -3.916 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.753 -1.422 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.365 -1.953 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.360 -1.715 4.274 1.00 0.00 H new ATOM 1676 N CYS A 116 3.190 -6.747 2.907 1.00 0.00 N ATOM 1677 CA CYS A 116 4.485 -6.771 2.236 1.00 0.00 C ATOM 1678 C CYS A 116 4.796 -5.419 1.608 1.00 0.00 C ATOM 1679 O CYS A 116 3.967 -4.842 0.900 1.00 0.00 O ATOM 1680 CB CYS A 116 4.522 -7.867 1.168 1.00 0.00 C ATOM 1681 SG CYS A 116 6.069 -8.832 1.148 1.00 0.00 S ATOM 0 H CYS A 116 2.644 -7.602 2.804 1.00 0.00 H new ATOM 0 HA CYS A 116 5.246 -6.988 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.685 -8.546 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.378 -7.411 0.189 1.00 0.00 H new ATOM 1686 N HIS A 117 5.996 -4.919 1.877 1.00 0.00 N ATOM 1687 CA HIS A 117 6.429 -3.633 1.348 1.00 0.00 C ATOM 1688 C HIS A 117 7.245 -3.820 0.072 1.00 0.00 C ATOM 1689 O HIS A 117 8.127 -4.674 0.006 1.00 0.00 O ATOM 1690 CB HIS A 117 7.252 -2.881 2.399 1.00 0.00 C ATOM 1691 CG HIS A 117 8.193 -1.867 1.825 1.00 0.00 C ATOM 1692 ND1 HIS A 117 8.053 -0.509 2.029 1.00 0.00 N ATOM 1693 CD2 HIS A 117 9.294 -2.018 1.052 1.00 0.00 C ATOM 1694 CE1 HIS A 117 9.027 0.130 1.405 1.00 0.00 C ATOM 1695 NE2 HIS A 117 9.794 -0.763 0.806 1.00 0.00 N ATOM 0 H HIS A 117 6.689 -5.388 2.461 1.00 0.00 H new ATOM 0 HA HIS A 117 5.544 -3.045 1.105 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.572 -2.381 3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.824 -3.603 2.982 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.703 -2.952 0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.171 1.200 1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.624 -0.554 0.251 1.00 0.00 H new ATOM 1704 N PHE A 118 6.941 -3.012 -0.938 1.00 0.00 N ATOM 1705 CA PHE A 118 7.642 -3.083 -2.213 1.00 0.00 C ATOM 1706 C PHE A 118 8.057 -1.690 -2.675 1.00 0.00 C ATOM 1707 O PHE A 118 7.291 -0.734 -2.557 1.00 0.00 O ATOM 1708 CB PHE A 118 6.754 -3.739 -3.271 1.00 0.00 C ATOM 1709 CG PHE A 118 6.633 -5.231 -3.129 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.538 -6.075 -3.753 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.611 -5.790 -2.376 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.426 -7.445 -3.630 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.495 -7.162 -2.252 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.404 -7.990 -2.881 1.00 0.00 C ATOM 0 H PHE A 118 6.212 -2.299 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 118 8.538 -3.688 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.759 -3.298 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.154 -3.510 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.340 -5.656 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.898 -5.147 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.139 -8.091 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.694 -7.586 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.315 -9.062 -2.787 1.00 0.00 H new ATOM 1724 N PRO A 119 9.281 -1.559 -3.207 1.00 0.00 N ATOM 1725 CA PRO A 119 10.213 -2.677 -3.362 1.00 0.00 C ATOM 1726 C PRO A 119 10.813 -3.118 -2.030 1.00 0.00 C ATOM 1727 O PRO A 119 10.751 -2.393 -1.037 1.00 0.00 O ATOM 1728 CB PRO A 119 11.321 -2.121 -4.279 1.00 0.00 C ATOM 1729 CG PRO A 119 10.792 -0.807 -4.767 1.00 0.00 C ATOM 1730 CD PRO A 119 9.855 -0.312 -3.709 1.00 0.00 C ATOM 0 HA PRO A 119 9.713 -3.557 -3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.257 -1.993 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.524 -2.798 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.603 -0.098 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.275 -0.925 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.377 0.241 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.094 0.353 -4.116 1.00 0.00 H new ATOM 1738 N PHE A 120 11.402 -4.310 -2.021 1.00 0.00 N ATOM 1739 CA PHE A 120 12.024 -4.852 -0.817 1.00 0.00 C ATOM 1740 C PHE A 120 13.335 -5.547 -1.163 1.00 0.00 C ATOM 1741 O PHE A 120 13.494 -6.076 -2.263 1.00 0.00 O ATOM 1742 CB PHE A 120 11.080 -5.836 -0.123 1.00 0.00 C ATOM 1743 CG PHE A 120 11.047 -7.192 -0.769 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.309 -7.404 -1.922 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.754 -8.252 -0.224 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.275 -8.650 -2.519 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.724 -9.500 -0.817 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.984 -9.699 -1.966 1.00 0.00 C ATOM 0 H PHE A 120 11.462 -4.920 -2.836 1.00 0.00 H new ATOM 0 HA PHE A 120 12.231 -4.025 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.384 -5.946 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.073 -5.420 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.754 -6.587 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.335 -8.101 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.695 -8.804 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.279 -10.319 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.960 -10.673 -2.432 1.00 0.00 H new ATOM 1758 N LEU A 121 14.277 -5.540 -0.225 1.00 0.00 N ATOM 1759 CA LEU A 121 15.571 -6.172 -0.452 1.00 0.00 C ATOM 1760 C LEU A 121 15.612 -7.576 0.141 1.00 0.00 C ATOM 1761 O LEU A 121 15.291 -7.778 1.313 1.00 0.00 O ATOM 1762 CB LEU A 121 16.698 -5.323 0.147 1.00 0.00 C ATOM 1763 CG LEU A 121 18.070 -5.431 -0.541 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.032 -6.388 -1.720 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.548 -4.067 -0.999 1.00 0.00 C ATOM 0 H LEU A 121 14.170 -5.107 0.692 1.00 0.00 H new ATOM 0 HA LEU A 121 15.716 -6.249 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.387 -4.279 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.817 -5.601 1.194 1.00 0.00 H new ATOM 0 HG LEU A 121 18.771 -5.827 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.019 -6.438 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.742 -7.380 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.307 -6.034 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.520 -4.166 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.831 -3.649 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.637 -3.405 -0.138 1.00 0.00 H new ATOM 1777 N TYR A 122 16.022 -8.540 -0.676 1.00 0.00 N ATOM 1778 CA TYR A 122 16.119 -9.927 -0.236 1.00 0.00 C ATOM 1779 C TYR A 122 17.570 -10.394 -0.267 1.00 0.00 C ATOM 1780 O TYR A 122 18.077 -10.812 -1.308 1.00 0.00 O ATOM 1781 CB TYR A 122 15.262 -10.832 -1.122 1.00 0.00 C ATOM 1782 CG TYR A 122 15.562 -12.305 -0.959 1.00 0.00 C ATOM 1783 CD1 TYR A 122 16.108 -12.794 0.220 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.297 -13.205 -1.983 1.00 0.00 C ATOM 1785 CE1 TYR A 122 16.383 -14.138 0.374 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.568 -14.553 -1.836 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.111 -15.014 -0.655 1.00 0.00 C ATOM 1788 OH TYR A 122 16.384 -16.354 -0.505 1.00 0.00 O ATOM 0 H TYR A 122 16.293 -8.386 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 122 15.750 -9.987 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.210 -10.657 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.413 -10.553 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.321 -12.112 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.872 -12.846 -2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 122 16.810 -14.502 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.356 -15.241 -2.641 1.00 0.00 H new ATOM 0 HH TYR A 122 16.554 -16.754 -1.384 1.00 0.00 H new ATOM 1798 N ASN A 123 18.238 -10.312 0.879 1.00 0.00 N ATOM 1799 CA ASN A 123 19.635 -10.718 0.978 1.00 0.00 C ATOM 1800 C ASN A 123 20.510 -9.837 0.094 1.00 0.00 C ATOM 1801 O ASN A 123 21.356 -10.331 -0.651 1.00 0.00 O ATOM 1802 CB ASN A 123 19.792 -12.185 0.573 1.00 0.00 C ATOM 1803 CG ASN A 123 20.360 -13.035 1.693 1.00 0.00 C ATOM 1804 OD1 ASN A 123 21.350 -12.669 2.325 1.00 0.00 O ATOM 1805 ND2 ASN A 123 19.733 -14.180 1.943 1.00 0.00 N ATOM 0 H ASN A 123 17.835 -9.969 1.751 1.00 0.00 H new ATOM 0 HA ASN A 123 19.954 -10.602 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 123 18.822 -12.583 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.445 -12.251 -0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 123 20.070 -14.795 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.915 -14.444 1.394 1.00 0.00 H new ATOM 1812 N ASN A 124 20.295 -8.529 0.180 1.00 0.00 N ATOM 1813 CA ASN A 124 21.057 -7.571 -0.614 1.00 0.00 C ATOM 1814 C ASN A 124 20.760 -7.745 -2.099 1.00 0.00 C ATOM 1815 O ASN A 124 21.505 -7.265 -2.954 1.00 0.00 O ATOM 1816 CB ASN A 124 22.556 -7.727 -0.359 1.00 0.00 C ATOM 1817 CG ASN A 124 22.857 -8.522 0.897 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.729 -9.391 0.903 1.00 0.00 O ATOM 1819 ND2 ASN A 124 22.133 -8.227 1.972 1.00 0.00 N ATOM 0 H ASN A 124 19.598 -8.107 0.793 1.00 0.00 H new ATOM 0 HA ASN A 124 20.754 -6.568 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.017 -8.220 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.011 -6.740 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 124 22.290 -8.729 2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 124 21.420 -7.499 1.923 1.00 0.00 H new ATOM 1826 N HIS A 125 19.654 -8.423 -2.397 1.00 0.00 N ATOM 1827 CA HIS A 125 19.240 -8.649 -3.776 1.00 0.00 C ATOM 1828 C HIS A 125 17.962 -7.870 -4.075 1.00 0.00 C ATOM 1829 O HIS A 125 16.857 -8.368 -3.863 1.00 0.00 O ATOM 1830 CB HIS A 125 19.018 -10.141 -4.029 1.00 0.00 C ATOM 1831 CG HIS A 125 19.546 -10.610 -5.349 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.420 -11.670 -5.477 1.00 0.00 N ATOM 1833 CD2 HIS A 125 19.321 -10.157 -6.605 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.709 -11.848 -6.754 1.00 0.00 C ATOM 1835 NE2 HIS A 125 20.055 -10.945 -7.458 1.00 0.00 N ATOM 0 H HIS A 125 19.029 -8.825 -1.699 1.00 0.00 H new ATOM 0 HA HIS A 125 20.031 -8.298 -4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.496 -10.711 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 125 17.950 -10.355 -3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.684 -9.331 -6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 125 21.369 -12.604 -7.153 1.00 0.00 H new ATOM 0 HE2 HIS A 125 20.089 -10.847 -8.473 1.00 0.00 H new ATOM 1844 N ASN A 126 18.122 -6.640 -4.552 1.00 0.00 N ATOM 1845 CA ASN A 126 16.982 -5.784 -4.866 1.00 0.00 C ATOM 1846 C ASN A 126 15.847 -6.589 -5.496 1.00 0.00 C ATOM 1847 O ASN A 126 16.070 -7.387 -6.406 1.00 0.00 O ATOM 1848 CB ASN A 126 17.408 -4.661 -5.813 1.00 0.00 C ATOM 1849 CG ASN A 126 17.684 -3.361 -5.081 1.00 0.00 C ATOM 1850 OD1 ASN A 126 16.904 -2.413 -5.169 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.796 -3.317 -4.356 1.00 0.00 N ATOM 0 H ASN A 126 19.031 -6.213 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 126 16.621 -5.351 -3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.303 -4.967 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.626 -4.498 -6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 126 19.035 -2.470 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.411 -4.130 -4.315 1.00 0.00 H new ATOM 1857 N TYR A 127 14.630 -6.371 -5.008 1.00 0.00 N ATOM 1858 CA TYR A 127 13.458 -7.071 -5.525 1.00 0.00 C ATOM 1859 C TYR A 127 12.207 -6.208 -5.391 1.00 0.00 C ATOM 1860 O TYR A 127 12.077 -5.431 -4.446 1.00 0.00 O ATOM 1861 CB TYR A 127 13.256 -8.394 -4.785 1.00 0.00 C ATOM 1862 CG TYR A 127 13.965 -9.565 -5.427 1.00 0.00 C ATOM 1863 CD1 TYR A 127 13.560 -10.054 -6.663 1.00 0.00 C ATOM 1864 CD2 TYR A 127 15.038 -10.179 -4.797 1.00 0.00 C ATOM 1865 CE1 TYR A 127 14.207 -11.124 -7.252 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.691 -11.248 -5.379 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.272 -11.718 -6.606 1.00 0.00 C ATOM 1868 OH TYR A 127 15.919 -12.783 -7.189 1.00 0.00 O ATOM 0 H TYR A 127 14.429 -5.714 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 127 13.628 -7.277 -6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.610 -8.284 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.189 -8.611 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 127 12.727 -9.591 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 127 15.368 -9.815 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.881 -11.493 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 127 16.526 -11.713 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 127 16.646 -13.084 -6.605 1.00 0.00 H new ATOM 1878 N THR A 128 11.290 -6.349 -6.343 1.00 0.00 N ATOM 1879 CA THR A 128 10.050 -5.580 -6.326 1.00 0.00 C ATOM 1880 C THR A 128 8.863 -6.434 -6.753 1.00 0.00 C ATOM 1881 O THR A 128 8.068 -6.033 -7.602 1.00 0.00 O ATOM 1882 CB THR A 128 10.137 -4.348 -7.247 1.00 0.00 C ATOM 1883 OG1 THR A 128 9.779 -4.710 -8.586 1.00 0.00 O ATOM 1884 CG2 THR A 128 11.540 -3.759 -7.235 1.00 0.00 C ATOM 0 H THR A 128 11.381 -6.987 -7.134 1.00 0.00 H new ATOM 0 HA THR A 128 9.903 -5.247 -5.298 1.00 0.00 H new ATOM 0 HB THR A 128 9.441 -3.596 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 128 8.835 -4.972 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 128 11.576 -2.891 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 128 11.799 -3.457 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.252 -4.507 -7.583 1.00 0.00 H new ATOM 1892 N ASP A 129 8.747 -7.612 -6.151 1.00 0.00 N ATOM 1893 CA ASP A 129 7.652 -8.524 -6.460 1.00 0.00 C ATOM 1894 C ASP A 129 7.801 -9.831 -5.692 1.00 0.00 C ATOM 1895 O ASP A 129 8.915 -10.278 -5.418 1.00 0.00 O ATOM 1896 CB ASP A 129 7.600 -8.804 -7.963 1.00 0.00 C ATOM 1897 CG ASP A 129 6.377 -8.194 -8.622 1.00 0.00 C ATOM 1898 OD1 ASP A 129 6.436 -7.004 -8.996 1.00 0.00 O ATOM 1899 OD2 ASP A 129 5.362 -8.907 -8.765 1.00 0.00 O ATOM 0 H ASP A 129 9.398 -7.958 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 129 6.720 -8.048 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.499 -8.408 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.600 -9.881 -8.130 1.00 0.00 H new ATOM 1904 N CYS A 130 6.671 -10.435 -5.345 1.00 0.00 N ATOM 1905 CA CYS A 130 6.671 -11.691 -4.604 1.00 0.00 C ATOM 1906 C CYS A 130 7.628 -12.696 -5.239 1.00 0.00 C ATOM 1907 O CYS A 130 7.227 -13.507 -6.073 1.00 0.00 O ATOM 1908 CB CYS A 130 5.259 -12.275 -4.547 1.00 0.00 C ATOM 1909 SG CYS A 130 3.953 -11.038 -4.248 1.00 0.00 S ATOM 0 H CYS A 130 5.742 -10.075 -5.565 1.00 0.00 H new ATOM 0 HA CYS A 130 7.010 -11.486 -3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.051 -12.787 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.220 -13.027 -3.759 1.00 0.00 H new ATOM 1914 N THR A 131 8.893 -12.634 -4.838 1.00 0.00 N ATOM 1915 CA THR A 131 9.908 -13.537 -5.367 1.00 0.00 C ATOM 1916 C THR A 131 9.762 -14.935 -4.776 1.00 0.00 C ATOM 1917 O THR A 131 9.653 -15.098 -3.561 1.00 0.00 O ATOM 1918 CB THR A 131 11.329 -13.018 -5.080 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.299 -13.985 -5.500 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.510 -12.722 -3.599 1.00 0.00 C ATOM 0 H THR A 131 9.240 -11.968 -4.148 1.00 0.00 H new ATOM 0 HA THR A 131 9.757 -13.583 -6.446 1.00 0.00 H new ATOM 0 HB THR A 131 11.472 -12.093 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.200 -13.646 -5.315 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.522 -12.357 -3.422 1.00 0.00 H new ATOM 0 HG22 THR A 131 10.791 -11.964 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.347 -13.633 -3.023 1.00 0.00 H new ATOM 1928 N SER A 132 9.759 -15.941 -5.645 1.00 0.00 N ATOM 1929 CA SER A 132 9.626 -17.326 -5.210 1.00 0.00 C ATOM 1930 C SER A 132 10.983 -18.020 -5.181 1.00 0.00 C ATOM 1931 O SER A 132 11.099 -19.192 -5.537 1.00 0.00 O ATOM 1932 CB SER A 132 8.673 -18.083 -6.135 1.00 0.00 C ATOM 1933 OG SER A 132 8.173 -17.237 -7.157 1.00 0.00 O ATOM 0 H SER A 132 9.847 -15.822 -6.654 1.00 0.00 H new ATOM 0 HA SER A 132 9.217 -17.326 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 132 9.192 -18.931 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 132 7.843 -18.487 -5.555 1.00 0.00 H new ATOM 0 HG SER A 132 7.567 -17.746 -7.736 1.00 0.00 H new ATOM 1939 N GLU A 133 12.009 -17.290 -4.754 1.00 0.00 N ATOM 1940 CA GLU A 133 13.357 -17.838 -4.678 1.00 0.00 C ATOM 1941 C GLU A 133 13.345 -19.214 -4.018 1.00 0.00 C ATOM 1942 O GLU A 133 13.024 -19.345 -2.837 1.00 0.00 O ATOM 1943 CB GLU A 133 14.273 -16.894 -3.898 1.00 0.00 C ATOM 1944 CG GLU A 133 15.365 -16.266 -4.748 1.00 0.00 C ATOM 1945 CD GLU A 133 16.725 -16.891 -4.506 1.00 0.00 C ATOM 1946 OE1 GLU A 133 16.906 -17.527 -3.447 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.608 -16.746 -5.377 1.00 0.00 O ATOM 0 H GLU A 133 11.932 -16.318 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 133 13.738 -17.943 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 133 13.671 -16.102 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.734 -17.444 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.104 -16.369 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.417 -15.198 -4.535 1.00 0.00 H new ATOM 1954 N GLY A 134 13.692 -20.238 -4.790 1.00 0.00 N ATOM 1955 CA GLY A 134 13.711 -21.590 -4.264 1.00 0.00 C ATOM 1956 C GLY A 134 12.317 -22.127 -4.008 1.00 0.00 C ATOM 1957 O GLY A 134 12.147 -23.137 -3.325 1.00 0.00 O ATOM 0 H GLY A 134 13.960 -20.156 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.226 -22.244 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.281 -21.608 -3.335 1.00 0.00 H new ATOM 1961 N ARG A 135 11.316 -21.448 -4.559 1.00 0.00 N ATOM 1962 CA ARG A 135 9.926 -21.858 -4.390 1.00 0.00 C ATOM 1963 C ARG A 135 9.506 -22.820 -5.497 1.00 0.00 C ATOM 1964 O ARG A 135 9.615 -22.503 -6.681 1.00 0.00 O ATOM 1965 CB ARG A 135 9.011 -20.632 -4.388 1.00 0.00 C ATOM 1966 CG ARG A 135 7.886 -20.711 -3.370 1.00 0.00 C ATOM 1967 CD ARG A 135 8.384 -21.203 -2.020 1.00 0.00 C ATOM 1968 NE ARG A 135 8.255 -22.651 -1.887 1.00 0.00 N ATOM 1969 CZ ARG A 135 8.015 -23.273 -0.736 1.00 0.00 C ATOM 1970 NH1 ARG A 135 7.892 -22.581 0.389 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.906 -24.593 -0.711 1.00 0.00 N ATOM 0 H ARG A 135 11.442 -20.610 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 135 9.836 -22.372 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.609 -19.743 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.581 -20.509 -5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.430 -19.728 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 135 7.109 -21.381 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.428 -20.918 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.821 -20.714 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 135 8.355 -23.220 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.981 -21.565 0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.708 -23.065 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.006 -25.129 -1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.722 -25.073 0.170 1.00 0.00 H new ATOM 1985 N ARG A 136 9.027 -23.997 -5.105 1.00 0.00 N ATOM 1986 CA ARG A 136 8.594 -25.003 -6.067 1.00 0.00 C ATOM 1987 C ARG A 136 7.170 -25.467 -5.775 1.00 0.00 C ATOM 1988 O ARG A 136 6.704 -26.460 -6.334 1.00 0.00 O ATOM 1989 CB ARG A 136 9.546 -26.201 -6.046 1.00 0.00 C ATOM 1990 CG ARG A 136 11.005 -25.815 -5.864 1.00 0.00 C ATOM 1991 CD ARG A 136 11.915 -27.031 -5.936 1.00 0.00 C ATOM 1992 NE ARG A 136 13.276 -26.672 -6.327 1.00 0.00 N ATOM 1993 CZ ARG A 136 14.174 -26.169 -5.488 1.00 0.00 C ATOM 1994 NH1 ARG A 136 13.856 -25.965 -4.217 1.00 0.00 N ATOM 1995 NH2 ARG A 136 15.392 -25.868 -5.918 1.00 0.00 N ATOM 0 H ARG A 136 8.929 -24.277 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 136 8.610 -24.549 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.253 -26.873 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.439 -26.756 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 136 11.292 -25.098 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.134 -25.319 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.935 -27.527 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.509 -27.746 -6.651 1.00 0.00 H new ATOM 0 HE ARG A 136 13.552 -26.816 -7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.920 -26.195 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.547 -25.579 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.641 -26.023 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.080 -25.482 -5.272 1.00 0.00 H new ATOM 2009 N ASP A 137 6.481 -24.742 -4.899 1.00 0.00 N ATOM 2010 CA ASP A 137 5.109 -25.084 -4.540 1.00 0.00 C ATOM 2011 C ASP A 137 4.212 -23.851 -4.570 1.00 0.00 C ATOM 2012 O ASP A 137 3.469 -23.588 -3.625 1.00 0.00 O ATOM 2013 CB ASP A 137 5.064 -25.729 -3.153 1.00 0.00 C ATOM 2014 CG ASP A 137 5.634 -24.830 -2.075 1.00 0.00 C ATOM 2015 OD1 ASP A 137 6.120 -23.730 -2.415 1.00 0.00 O ATOM 2016 OD2 ASP A 137 5.597 -25.225 -0.889 1.00 0.00 O ATOM 0 H ASP A 137 6.849 -23.917 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 137 4.738 -25.798 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.032 -25.978 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.622 -26.665 -3.173 1.00 0.00 H new ATOM 2021 N ASN A 138 4.285 -23.100 -5.665 1.00 0.00 N ATOM 2022 CA ASN A 138 3.479 -21.895 -5.824 1.00 0.00 C ATOM 2023 C ASN A 138 3.302 -21.175 -4.490 1.00 0.00 C ATOM 2024 O ASN A 138 2.186 -20.822 -4.107 1.00 0.00 O ATOM 2025 CB ASN A 138 2.111 -22.244 -6.412 1.00 0.00 C ATOM 2026 CG ASN A 138 2.214 -22.832 -7.806 1.00 0.00 C ATOM 2027 OD1 ASN A 138 2.122 -24.046 -7.988 1.00 0.00 O ATOM 2028 ND2 ASN A 138 2.409 -21.971 -8.798 1.00 0.00 N ATOM 0 H ASN A 138 4.895 -23.306 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 138 4.003 -21.228 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 138 1.608 -22.955 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 138 1.493 -21.347 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.489 -22.308 -9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.479 -20.973 -8.601 1.00 0.00 H new ATOM 2035 N MET A 139 4.409 -20.961 -3.787 1.00 0.00 N ATOM 2036 CA MET A 139 4.376 -20.283 -2.496 1.00 0.00 C ATOM 2037 C MET A 139 5.192 -18.996 -2.536 1.00 0.00 C ATOM 2038 O MET A 139 6.008 -18.739 -1.651 1.00 0.00 O ATOM 2039 CB MET A 139 4.909 -21.206 -1.398 1.00 0.00 C ATOM 2040 CG MET A 139 4.176 -21.060 -0.074 1.00 0.00 C ATOM 2041 SD MET A 139 4.378 -22.500 0.993 1.00 0.00 S ATOM 2042 CE MET A 139 2.689 -22.768 1.523 1.00 0.00 C ATOM 0 H MET A 139 5.340 -21.247 -4.089 1.00 0.00 H new ATOM 0 HA MET A 139 3.340 -20.027 -2.274 1.00 0.00 H new ATOM 0 HB2 MET A 139 4.832 -22.240 -1.735 1.00 0.00 H new ATOM 0 HB3 MET A 139 5.968 -20.999 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 139 4.543 -20.174 0.444 1.00 0.00 H new ATOM 0 HG3 MET A 139 3.115 -20.901 -0.266 1.00 0.00 H new ATOM 0 HE1 MET A 139 2.649 -23.628 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 139 2.328 -21.884 2.048 1.00 0.00 H new ATOM 0 HE3 MET A 139 2.060 -22.955 0.653 1.00 0.00 H new ATOM 2052 N LYS A 140 4.965 -18.190 -3.569 1.00 0.00 N ATOM 2053 CA LYS A 140 5.679 -16.929 -3.726 1.00 0.00 C ATOM 2054 C LYS A 140 5.718 -16.159 -2.410 1.00 0.00 C ATOM 2055 O LYS A 140 4.819 -16.284 -1.579 1.00 0.00 O ATOM 2056 CB LYS A 140 5.018 -16.076 -4.811 1.00 0.00 C ATOM 2057 CG LYS A 140 3.516 -15.927 -4.635 1.00 0.00 C ATOM 2058 CD LYS A 140 2.750 -16.786 -5.628 1.00 0.00 C ATOM 2059 CE LYS A 140 2.414 -16.012 -6.892 1.00 0.00 C ATOM 2060 NZ LYS A 140 3.486 -16.131 -7.919 1.00 0.00 N ATOM 0 H LYS A 140 4.292 -18.388 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 140 6.703 -17.154 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 140 5.475 -15.087 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.219 -16.522 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 140 3.238 -16.208 -3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 140 3.235 -14.882 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 140 3.343 -17.664 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 140 1.831 -17.146 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.474 -16.380 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 140 2.263 -14.961 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.175 -15.675 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 4.350 -15.665 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 3.683 -17.136 -8.100 1.00 0.00 H new ATOM 2074 N TRP A 141 6.767 -15.364 -2.226 1.00 0.00 N ATOM 2075 CA TRP A 141 6.924 -14.576 -1.008 1.00 0.00 C ATOM 2076 C TRP A 141 7.691 -13.286 -1.288 1.00 0.00 C ATOM 2077 O TRP A 141 8.212 -13.085 -2.384 1.00 0.00 O ATOM 2078 CB TRP A 141 7.654 -15.393 0.060 1.00 0.00 C ATOM 2079 CG TRP A 141 9.083 -15.677 -0.285 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.561 -16.755 -0.974 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.221 -14.872 0.042 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.927 -16.669 -1.094 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.356 -15.523 -0.479 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.391 -13.665 0.725 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.641 -15.004 -0.339 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.667 -13.152 0.864 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.778 -13.821 0.334 1.00 0.00 C ATOM 0 H TRP A 141 7.520 -15.248 -2.904 1.00 0.00 H new ATOM 0 HA TRP A 141 5.931 -14.315 -0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.616 -14.855 1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 141 7.129 -16.337 0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.954 -17.557 -1.367 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.525 -17.348 -1.565 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.541 -13.142 1.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.499 -15.517 -0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.810 -12.220 1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.762 -13.394 0.459 1.00 0.00 H new ATOM 2098 N CYS A 142 7.759 -12.418 -0.283 1.00 0.00 N ATOM 2099 CA CYS A 142 8.464 -11.148 -0.412 1.00 0.00 C ATOM 2100 C CYS A 142 8.863 -10.611 0.957 1.00 0.00 C ATOM 2101 O CYS A 142 8.675 -11.278 1.975 1.00 0.00 O ATOM 2102 CB CYS A 142 7.593 -10.122 -1.140 1.00 0.00 C ATOM 2103 SG CYS A 142 5.892 -10.002 -0.502 1.00 0.00 S ATOM 0 H CYS A 142 7.333 -12.572 0.631 1.00 0.00 H new ATOM 0 HA CYS A 142 9.368 -11.322 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 142 8.066 -9.143 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.555 -10.380 -2.198 1.00 0.00 H new ATOM 2108 N GLY A 143 9.413 -9.402 0.974 1.00 0.00 N ATOM 2109 CA GLY A 143 9.827 -8.797 2.225 1.00 0.00 C ATOM 2110 C GLY A 143 8.786 -7.847 2.781 1.00 0.00 C ATOM 2111 O GLY A 143 8.193 -7.061 2.042 1.00 0.00 O ATOM 0 H GLY A 143 9.579 -8.831 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.026 -9.581 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.762 -8.258 2.073 1.00 0.00 H new ATOM 2115 N THR A 144 8.565 -7.917 4.088 1.00 0.00 N ATOM 2116 CA THR A 144 7.589 -7.054 4.742 1.00 0.00 C ATOM 2117 C THR A 144 8.122 -5.632 4.874 1.00 0.00 C ATOM 2118 O THR A 144 7.381 -4.709 5.211 1.00 0.00 O ATOM 2119 CB THR A 144 7.216 -7.581 6.139 1.00 0.00 C ATOM 2120 OG1 THR A 144 6.654 -6.526 6.927 1.00 0.00 O ATOM 2121 CG2 THR A 144 8.437 -8.154 6.843 1.00 0.00 C ATOM 0 H THR A 144 9.047 -8.561 4.715 1.00 0.00 H new ATOM 0 HA THR A 144 6.697 -7.052 4.115 1.00 0.00 H new ATOM 0 HB THR A 144 6.479 -8.375 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 144 6.434 -5.766 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 144 8.150 -8.521 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 144 8.844 -8.976 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 144 9.193 -7.376 6.951 1.00 0.00 H new ATOM 2129 N THR A 145 9.412 -5.464 4.605 1.00 0.00 N ATOM 2130 CA THR A 145 10.050 -4.158 4.689 1.00 0.00 C ATOM 2131 C THR A 145 10.897 -3.887 3.449 1.00 0.00 C ATOM 2132 O THR A 145 10.725 -4.535 2.417 1.00 0.00 O ATOM 2133 CB THR A 145 10.934 -4.045 5.945 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.096 -4.871 5.803 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.161 -4.459 7.190 1.00 0.00 C ATOM 0 H THR A 145 10.037 -6.220 4.326 1.00 0.00 H new ATOM 0 HA THR A 145 9.255 -3.415 4.752 1.00 0.00 H new ATOM 0 HB THR A 145 11.239 -3.004 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.863 -5.801 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.806 -4.371 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.293 -3.811 7.312 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.830 -5.492 7.086 1.00 0.00 H new ATOM 2143 N GLN A 146 11.809 -2.927 3.555 1.00 0.00 N ATOM 2144 CA GLN A 146 12.678 -2.576 2.436 1.00 0.00 C ATOM 2145 C GLN A 146 13.963 -3.400 2.457 1.00 0.00 C ATOM 2146 O GLN A 146 14.867 -3.178 1.651 1.00 0.00 O ATOM 2147 CB GLN A 146 13.014 -1.083 2.476 1.00 0.00 C ATOM 2148 CG GLN A 146 14.190 -0.698 1.594 1.00 0.00 C ATOM 2149 CD GLN A 146 14.362 0.803 1.472 1.00 0.00 C ATOM 2150 OE1 GLN A 146 13.388 1.556 1.503 1.00 0.00 O ATOM 2151 NE2 GLN A 146 15.606 1.247 1.333 1.00 0.00 N ATOM 0 H GLN A 146 11.966 -2.379 4.401 1.00 0.00 H new ATOM 0 HA GLN A 146 12.144 -2.799 1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.137 -0.514 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.233 -0.796 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.103 -1.132 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.050 -1.126 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.384 0.587 1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.784 2.248 1.247 1.00 0.00 H new ATOM 2160 N ASN A 147 14.039 -4.352 3.381 1.00 0.00 N ATOM 2161 CA ASN A 147 15.214 -5.207 3.504 1.00 0.00 C ATOM 2162 C ASN A 147 14.872 -6.502 4.234 1.00 0.00 C ATOM 2163 O ASN A 147 15.160 -6.649 5.423 1.00 0.00 O ATOM 2164 CB ASN A 147 16.324 -4.474 4.255 1.00 0.00 C ATOM 2165 CG ASN A 147 17.576 -4.296 3.416 1.00 0.00 C ATOM 2166 OD1 ASN A 147 18.045 -3.177 3.213 1.00 0.00 O ATOM 2167 ND2 ASN A 147 18.124 -5.402 2.926 1.00 0.00 N ATOM 0 H ASN A 147 13.301 -4.551 4.056 1.00 0.00 H new ATOM 0 HA ASN A 147 15.558 -5.453 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 147 15.960 -3.496 4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.573 -5.028 5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 147 18.968 -5.344 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 147 17.701 -6.310 3.120 1.00 0.00 H new ATOM 2174 N TYR A 148 14.259 -7.437 3.519 1.00 0.00 N ATOM 2175 CA TYR A 148 13.879 -8.719 4.102 1.00 0.00 C ATOM 2176 C TYR A 148 15.028 -9.316 4.912 1.00 0.00 C ATOM 2177 O TYR A 148 14.908 -9.520 6.120 1.00 0.00 O ATOM 2178 CB TYR A 148 13.445 -9.691 3.001 1.00 0.00 C ATOM 2179 CG TYR A 148 13.586 -11.149 3.379 1.00 0.00 C ATOM 2180 CD1 TYR A 148 13.105 -11.624 4.592 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.202 -12.050 2.520 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.236 -12.955 4.940 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.335 -13.382 2.859 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.851 -13.830 4.070 1.00 0.00 C ATOM 2185 OH TYR A 148 13.982 -15.156 4.412 1.00 0.00 O ATOM 0 H TYR A 148 14.014 -7.332 2.534 1.00 0.00 H new ATOM 0 HA TYR A 148 13.041 -8.550 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.405 -9.492 2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 148 14.037 -9.499 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.620 -10.942 5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.583 -11.703 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.859 -13.308 5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.816 -14.070 2.179 1.00 0.00 H new ATOM 0 HH TYR A 148 14.437 -15.637 3.689 1.00 0.00 H new ATOM 2195 N ASP A 149 16.138 -9.602 4.237 1.00 0.00 N ATOM 2196 CA ASP A 149 17.305 -10.183 4.894 1.00 0.00 C ATOM 2197 C ASP A 149 17.826 -9.274 6.003 1.00 0.00 C ATOM 2198 O ASP A 149 18.382 -9.747 6.994 1.00 0.00 O ATOM 2199 CB ASP A 149 18.413 -10.445 3.872 1.00 0.00 C ATOM 2200 CG ASP A 149 19.653 -11.045 4.505 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.507 -11.930 5.373 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.770 -10.629 4.132 1.00 0.00 O ATOM 0 H ASP A 149 16.254 -9.441 3.236 1.00 0.00 H new ATOM 0 HA ASP A 149 16.999 -11.128 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.040 -11.119 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.677 -9.510 3.378 1.00 0.00 H new ATOM 2207 N ALA A 150 17.648 -7.969 5.829 1.00 0.00 N ATOM 2208 CA ALA A 150 18.104 -7.000 6.817 1.00 0.00 C ATOM 2209 C ALA A 150 17.038 -6.749 7.879 1.00 0.00 C ATOM 2210 O ALA A 150 17.256 -5.993 8.825 1.00 0.00 O ATOM 2211 CB ALA A 150 18.491 -5.696 6.134 1.00 0.00 C ATOM 0 H ALA A 150 17.192 -7.559 5.014 1.00 0.00 H new ATOM 0 HA ALA A 150 18.981 -7.412 7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.830 -4.980 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 150 19.294 -5.883 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 150 17.627 -5.290 5.609 1.00 0.00 H new ATOM 2217 N ASP A 151 15.883 -7.390 7.717 1.00 0.00 N ATOM 2218 CA ASP A 151 14.785 -7.235 8.662 1.00 0.00 C ATOM 2219 C ASP A 151 14.409 -8.575 9.289 1.00 0.00 C ATOM 2220 O ASP A 151 13.886 -8.626 10.402 1.00 0.00 O ATOM 2221 CB ASP A 151 13.567 -6.624 7.967 1.00 0.00 C ATOM 2222 CG ASP A 151 12.906 -5.543 8.800 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.368 -5.872 9.878 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.927 -4.370 8.375 1.00 0.00 O ATOM 0 H ASP A 151 15.685 -8.021 6.940 1.00 0.00 H new ATOM 0 HA ASP A 151 15.116 -6.565 9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.872 -6.204 7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.842 -7.409 7.755 1.00 0.00 H new ATOM 2229 N GLN A 152 14.678 -9.658 8.566 1.00 0.00 N ATOM 2230 CA GLN A 152 14.367 -10.997 9.051 1.00 0.00 C ATOM 2231 C GLN A 152 12.859 -11.215 9.118 1.00 0.00 C ATOM 2232 O GLN A 152 12.381 -12.125 9.796 1.00 0.00 O ATOM 2233 CB GLN A 152 14.986 -11.219 10.432 1.00 0.00 C ATOM 2234 CG GLN A 152 15.555 -12.616 10.626 1.00 0.00 C ATOM 2235 CD GLN A 152 16.721 -12.905 9.701 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.764 -12.255 9.776 1.00 0.00 O ATOM 2237 NE2 GLN A 152 16.549 -13.884 8.821 1.00 0.00 N ATOM 0 H GLN A 152 15.111 -9.634 7.643 1.00 0.00 H new ATOM 0 HA GLN A 152 14.790 -11.717 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.779 -10.488 10.587 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.229 -11.035 11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 152 15.879 -12.732 11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.769 -13.351 10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 152 15.668 -14.397 8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 152 17.298 -14.124 8.172 1.00 0.00 H new ATOM 2246 N LYS A 153 12.114 -10.374 8.408 1.00 0.00 N ATOM 2247 CA LYS A 153 10.660 -10.473 8.384 1.00 0.00 C ATOM 2248 C LYS A 153 10.160 -10.752 6.970 1.00 0.00 C ATOM 2249 O LYS A 153 10.253 -9.898 6.088 1.00 0.00 O ATOM 2250 CB LYS A 153 10.033 -9.183 8.916 1.00 0.00 C ATOM 2251 CG LYS A 153 10.490 -8.820 10.319 1.00 0.00 C ATOM 2252 CD LYS A 153 9.753 -7.599 10.846 1.00 0.00 C ATOM 2253 CE LYS A 153 8.941 -7.933 12.087 1.00 0.00 C ATOM 2254 NZ LYS A 153 9.742 -7.779 13.333 1.00 0.00 N ATOM 0 H LYS A 153 12.494 -9.616 7.841 1.00 0.00 H new ATOM 0 HA LYS A 153 10.364 -11.303 9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.277 -8.364 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.948 -9.287 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.322 -9.664 10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.562 -8.625 10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.470 -6.812 11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 153 9.093 -7.209 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 153 8.067 -7.283 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.574 -8.957 12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 9.858 -8.707 13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 10.677 -7.390 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 9.251 -7.133 13.984 1.00 0.00 H new ATOM 2268 N PHE A 154 9.631 -11.953 6.760 1.00 0.00 N ATOM 2269 CA PHE A 154 9.120 -12.345 5.452 1.00 0.00 C ATOM 2270 C PHE A 154 7.650 -12.748 5.535 1.00 0.00 C ATOM 2271 O PHE A 154 7.171 -13.180 6.584 1.00 0.00 O ATOM 2272 CB PHE A 154 9.954 -13.497 4.885 1.00 0.00 C ATOM 2273 CG PHE A 154 9.463 -14.859 5.287 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.298 -15.378 4.746 1.00 0.00 C ATOM 2275 CD2 PHE A 154 10.168 -15.620 6.205 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.845 -16.631 5.114 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.721 -16.873 6.578 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.557 -17.379 6.032 1.00 0.00 C ATOM 0 H PHE A 154 9.545 -12.671 7.479 1.00 0.00 H new ATOM 0 HA PHE A 154 9.198 -11.487 4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.957 -13.429 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.987 -13.382 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.737 -14.797 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 154 11.078 -15.229 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.936 -17.025 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.280 -17.456 7.295 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.204 -18.358 6.322 1.00 0.00 H new ATOM 2288 N GLY A 155 6.941 -12.606 4.420 1.00 0.00 N ATOM 2289 CA GLY A 155 5.535 -12.960 4.383 1.00 0.00 C ATOM 2290 C GLY A 155 5.136 -13.603 3.069 1.00 0.00 C ATOM 2291 O GLY A 155 5.722 -13.313 2.026 1.00 0.00 O ATOM 0 H GLY A 155 7.316 -12.251 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.314 -13.645 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.933 -12.065 4.544 1.00 0.00 H new ATOM 2295 N PHE A 156 4.137 -14.479 3.117 1.00 0.00 N ATOM 2296 CA PHE A 156 3.667 -15.162 1.918 1.00 0.00 C ATOM 2297 C PHE A 156 2.843 -14.222 1.046 1.00 0.00 C ATOM 2298 O PHE A 156 2.108 -13.373 1.553 1.00 0.00 O ATOM 2299 CB PHE A 156 2.834 -16.389 2.295 1.00 0.00 C ATOM 2300 CG PHE A 156 3.630 -17.471 2.968 1.00 0.00 C ATOM 2301 CD1 PHE A 156 3.992 -17.356 4.301 1.00 0.00 C ATOM 2302 CD2 PHE A 156 4.017 -18.603 2.267 1.00 0.00 C ATOM 2303 CE1 PHE A 156 4.724 -18.350 4.922 1.00 0.00 C ATOM 2304 CE2 PHE A 156 4.750 -19.599 2.884 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.104 -19.473 4.213 1.00 0.00 C ATOM 0 H PHE A 156 3.639 -14.732 3.971 1.00 0.00 H new ATOM 0 HA PHE A 156 4.539 -15.486 1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.025 -16.079 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.372 -16.795 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.699 -16.480 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.743 -18.707 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 156 4.999 -18.249 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 156 5.046 -20.476 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.677 -20.251 4.697 1.00 0.00 H new ATOM 2315 N CYS A 157 2.973 -14.378 -0.267 1.00 0.00 N ATOM 2316 CA CYS A 157 2.245 -13.543 -1.214 1.00 0.00 C ATOM 2317 C CYS A 157 0.896 -14.163 -1.563 1.00 0.00 C ATOM 2318 O CYS A 157 0.815 -15.337 -1.923 1.00 0.00 O ATOM 2319 CB CYS A 157 3.072 -13.342 -2.485 1.00 0.00 C ATOM 2320 SG CYS A 157 2.358 -12.146 -3.659 1.00 0.00 S ATOM 0 H CYS A 157 3.577 -15.077 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 157 2.067 -12.575 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 157 4.071 -13.008 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.186 -14.303 -2.987 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.183 -13.374 -1.459 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.539 -13.840 -1.764 1.00 0.00 C ATOM 2327 C PRO A 158 -1.742 -14.098 -3.253 1.00 0.00 C ATOM 2328 O PRO A 158 -1.777 -13.166 -4.056 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.427 -12.685 -1.296 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.550 -11.482 -1.363 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.164 -11.962 -1.037 1.00 0.00 C ATOM 0 HA PRO A 158 -1.761 -14.790 -1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.302 -12.573 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -2.793 -12.852 -0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.583 -11.029 -2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -1.876 -10.721 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.595 -11.393 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.056 -11.863 0.026 1.00 0.00 H new