USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 117 SER OG : rot 31:sc= 0.09 USER MOD Set 1.2: A 125 SER OG : rot 16:sc= 0.499 USER MOD Set 2.1: A 98 CYS SG : rot 92:sc= 0.113 USER MOD Set 2.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 ASN : amide:sc= 0.0135 K(o=1.1,f=0.54) USER MOD Set 3.2: A 18 TYR OH : rot 171:sc= 1.12 USER MOD Single : A 1 SER N :NH3+ 157:sc= -1.17 (180deg=-2.01!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0.791 (180deg=0.719) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.0522 F(o=-0.58,f=-0.052) USER MOD Single : A 8 TYR OH : rot 44:sc= 1.02 USER MOD Single : A 15 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.025) USER MOD Single : A 20 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=-0.0066) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 20:sc= 0.49 USER MOD Single : A 26 SER OG : rot 180:sc= -0.594 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc=-6.38e-05 X(o=-6.4e-05,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.0904 K(o=-0.09,f=-1) USER MOD Single : A 109 ASN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 115 SER OG : rot 41:sc= 1.25 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.2!) USER MOD Single : A 141 LYS NZ :NH3+ -156:sc= -0.0539 (180deg=-0.362) USER MOD Single : A 142 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00978) USER MOD Single : A 148 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.0083) USER MOD Single : A 149 THR OG1 : rot -41:sc= 0.974 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.294 14.548 -3.602 1.00 0.00 N ATOM 2 CA SER A 1 -3.095 13.080 -3.482 1.00 0.00 C ATOM 3 C SER A 1 -1.657 12.691 -3.814 1.00 0.00 C ATOM 4 O SER A 1 -1.326 12.423 -4.969 1.00 0.00 O ATOM 5 CB SER A 1 -4.068 12.378 -4.433 1.00 0.00 C ATOM 6 OG SER A 1 -4.942 11.518 -3.723 1.00 0.00 O ATOM 0 H1 SER A 1 -4.302 14.750 -3.760 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.980 15.014 -2.727 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.739 14.909 -4.404 1.00 0.00 H new ATOM 0 HA SER A 1 -3.288 12.773 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.648 13.122 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.509 11.804 -5.172 1.00 0.00 H new ATOM 0 HG SER A 1 -5.555 11.083 -4.352 1.00 0.00 H new ATOM 14 N ILE A 2 -0.809 12.659 -2.791 1.00 0.00 N ATOM 15 CA ILE A 2 0.593 12.301 -2.974 1.00 0.00 C ATOM 16 C ILE A 2 0.755 10.795 -3.152 1.00 0.00 C ATOM 17 O ILE A 2 1.626 10.338 -3.891 1.00 0.00 O ATOM 18 CB ILE A 2 1.453 12.759 -1.780 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.160 14.221 -1.442 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.930 12.566 -2.088 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.727 14.655 -0.108 1.00 0.00 C ATOM 0 H ILE A 2 -1.068 12.876 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 2 0.934 12.812 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 2 1.199 12.149 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.570 14.857 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.081 14.376 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.525 12.894 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.126 11.512 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.199 13.154 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.482 15.702 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.298 14.044 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.810 14.532 -0.116 1.00 0.00 H new ATOM 33 N LYS A 3 -0.090 10.031 -2.469 1.00 0.00 N ATOM 34 CA LYS A 3 -0.041 8.577 -2.553 1.00 0.00 C ATOM 35 C LYS A 3 -1.390 7.964 -2.184 1.00 0.00 C ATOM 36 O LYS A 3 -2.280 8.652 -1.685 1.00 0.00 O ATOM 37 CB LYS A 3 1.054 8.029 -1.634 1.00 0.00 C ATOM 38 CG LYS A 3 2.077 7.166 -2.355 1.00 0.00 C ATOM 39 CD LYS A 3 3.352 7.011 -1.540 1.00 0.00 C ATOM 40 CE LYS A 3 3.496 5.600 -0.992 1.00 0.00 C ATOM 41 NZ LYS A 3 4.215 4.706 -1.942 1.00 0.00 N ATOM 0 H LYS A 3 -0.816 10.394 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 3 0.190 8.304 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.567 8.864 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.591 7.443 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.650 6.183 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.314 7.612 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.214 7.250 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.347 7.724 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.035 5.632 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.508 5.189 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.131 3.720 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.797 4.799 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.219 4.974 -1.978 1.00 0.00 H new ATOM 55 N ASN A 4 -1.532 6.667 -2.435 1.00 0.00 N ATOM 56 CA ASN A 4 -2.771 5.960 -2.130 1.00 0.00 C ATOM 57 C ASN A 4 -2.565 4.450 -2.201 1.00 0.00 C ATOM 58 O ASN A 4 -2.104 3.923 -3.214 1.00 0.00 O ATOM 59 CB ASN A 4 -3.874 6.381 -3.101 1.00 0.00 C ATOM 60 CG ASN A 4 -3.459 6.223 -4.551 1.00 0.00 C ATOM 61 OD1 ASN A 4 -2.702 7.189 -5.058 1.00 0.00 O flip ATOM 62 ND2 ASN A 4 -3.814 5.244 -5.206 1.00 0.00 N flip ATOM 0 H ASN A 4 -0.805 6.084 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.070 6.222 -1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.766 5.784 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.142 7.421 -2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.396 4.526 -4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.526 5.151 -6.180 1.00 0.00 H new ATOM 69 N GLY A 5 -2.910 3.760 -1.120 1.00 0.00 N ATOM 70 CA GLY A 5 -2.756 2.317 -1.082 1.00 0.00 C ATOM 71 C GLY A 5 -3.623 1.667 -0.023 1.00 0.00 C ATOM 72 O GLY A 5 -4.480 2.319 0.575 1.00 0.00 O ATOM 0 H GLY A 5 -3.293 4.173 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.008 1.902 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.711 2.072 -0.892 1.00 0.00 H new ATOM 76 N ILE A 6 -3.401 0.377 0.210 1.00 0.00 N ATOM 77 CA ILE A 6 -4.168 -0.364 1.204 1.00 0.00 C ATOM 78 C ILE A 6 -3.442 -0.399 2.545 1.00 0.00 C ATOM 79 O ILE A 6 -2.622 -1.283 2.795 1.00 0.00 O ATOM 80 CB ILE A 6 -4.439 -1.808 0.742 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.979 -1.817 -0.690 1.00 0.00 C ATOM 82 CG2 ILE A 6 -5.416 -2.492 1.686 1.00 0.00 C ATOM 83 CD1 ILE A 6 -6.283 -1.066 -0.847 1.00 0.00 C ATOM 0 H ILE A 6 -2.696 -0.176 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.118 0.156 1.322 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.500 -2.361 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.234 -1.378 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.122 -2.849 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.597 -3.512 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.995 -2.514 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.356 -1.941 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.607 -1.113 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.042 -1.518 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.140 -0.025 -0.559 1.00 0.00 H new ATOM 95 N LEU A 7 -3.751 0.565 3.405 1.00 0.00 N ATOM 96 CA LEU A 7 -3.129 0.643 4.723 1.00 0.00 C ATOM 97 C LEU A 7 -4.017 -0.002 5.781 1.00 0.00 C ATOM 98 O LEU A 7 -5.207 0.300 5.876 1.00 0.00 O ATOM 99 CB LEU A 7 -2.849 2.102 5.094 1.00 0.00 C ATOM 100 CG LEU A 7 -1.570 2.690 4.495 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.343 2.000 5.072 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.591 2.570 2.979 1.00 0.00 C ATOM 0 H LEU A 7 -4.428 1.303 3.214 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.185 0.099 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.695 2.711 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.793 2.180 6.180 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.520 3.747 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.557 2.432 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.323 2.138 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.383 0.935 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.674 2.993 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.664 1.519 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.450 3.112 2.583 1.00 0.00 H new ATOM 114 N TYR A 8 -3.431 -0.893 6.575 1.00 0.00 N ATOM 115 CA TYR A 8 -4.170 -1.584 7.626 1.00 0.00 C ATOM 116 C TYR A 8 -4.324 -0.696 8.858 1.00 0.00 C ATOM 117 O TYR A 8 -3.441 0.101 9.175 1.00 0.00 O ATOM 118 CB TYR A 8 -3.461 -2.884 8.006 1.00 0.00 C ATOM 119 CG TYR A 8 -3.572 -3.964 6.954 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.116 -3.751 5.659 1.00 0.00 C ATOM 121 CD2 TYR A 8 -4.133 -5.199 7.256 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.216 -4.736 4.695 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.236 -6.190 6.297 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.777 -5.953 5.019 1.00 0.00 C ATOM 125 OH TYR A 8 -3.878 -6.935 4.062 1.00 0.00 O ATOM 0 H TYR A 8 -2.447 -1.153 6.511 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.163 -1.818 7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.407 -2.673 8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.879 -3.256 8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.676 -2.799 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.494 -5.388 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.857 -4.553 3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.674 -7.145 6.548 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.039 -6.989 3.559 1.00 0.00 H new ATOM 135 N LEU A 9 -5.451 -0.842 9.547 1.00 0.00 N ATOM 136 CA LEU A 9 -5.721 -0.055 10.746 1.00 0.00 C ATOM 137 C LEU A 9 -6.551 -0.857 11.744 1.00 0.00 C ATOM 138 O LEU A 9 -7.541 -1.491 11.376 1.00 0.00 O ATOM 139 CB LEU A 9 -6.452 1.237 10.378 1.00 0.00 C ATOM 140 CG LEU A 9 -6.802 2.145 11.561 1.00 0.00 C ATOM 141 CD1 LEU A 9 -6.229 3.539 11.357 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.310 2.211 11.756 1.00 0.00 C ATOM 0 H LEU A 9 -6.192 -1.497 9.296 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.768 0.196 11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.833 1.800 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.372 0.979 9.853 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.356 1.721 12.461 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.489 4.168 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.144 3.477 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.642 3.973 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.540 2.860 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.776 2.609 10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.696 1.211 11.952 1.00 0.00 H new ATOM 154 N GLU A 10 -6.140 -0.827 13.008 1.00 0.00 N ATOM 155 CA GLU A 10 -6.847 -1.553 14.058 1.00 0.00 C ATOM 156 C GLU A 10 -8.075 -0.782 14.528 1.00 0.00 C ATOM 157 O GLU A 10 -7.962 0.326 15.051 1.00 0.00 O ATOM 158 CB GLU A 10 -5.916 -1.811 15.245 1.00 0.00 C ATOM 159 CG GLU A 10 -5.041 -3.041 15.077 1.00 0.00 C ATOM 160 CD GLU A 10 -4.980 -3.889 16.333 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.635 -3.343 17.400 1.00 0.00 O ATOM 162 OE2 GLU A 10 -5.278 -5.099 16.246 1.00 0.00 O ATOM 0 H GLU A 10 -5.323 -0.309 13.330 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.175 -2.506 13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.278 -0.939 15.392 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.516 -1.923 16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.423 -3.645 14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.033 -2.730 14.803 1.00 0.00 H new ATOM 169 N ASP A 11 -9.247 -1.379 14.346 1.00 0.00 N ATOM 170 CA ASP A 11 -10.494 -0.751 14.761 1.00 0.00 C ATOM 171 C ASP A 11 -10.729 -0.972 16.255 1.00 0.00 C ATOM 172 O ASP A 11 -10.562 -2.083 16.756 1.00 0.00 O ATOM 173 CB ASP A 11 -11.669 -1.312 13.956 1.00 0.00 C ATOM 174 CG ASP A 11 -12.158 -0.344 12.897 1.00 0.00 C ATOM 175 OD1 ASP A 11 -12.084 0.880 13.132 1.00 0.00 O ATOM 176 OD2 ASP A 11 -12.615 -0.810 11.831 1.00 0.00 O ATOM 0 H ASP A 11 -9.359 -2.296 13.914 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.420 0.320 14.572 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.367 -2.245 13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.489 -1.550 14.633 1.00 0.00 H new ATOM 181 N PRO A 12 -11.117 0.085 16.991 1.00 0.00 N ATOM 182 CA PRO A 12 -11.366 -0.013 18.434 1.00 0.00 C ATOM 183 C PRO A 12 -12.604 -0.844 18.762 1.00 0.00 C ATOM 184 O PRO A 12 -12.842 -1.184 19.921 1.00 0.00 O ATOM 185 CB PRO A 12 -11.571 1.443 18.862 1.00 0.00 C ATOM 186 CG PRO A 12 -12.030 2.140 17.629 1.00 0.00 C ATOM 187 CD PRO A 12 -11.341 1.451 16.483 1.00 0.00 C ATOM 0 HA PRO A 12 -10.547 -0.513 18.951 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.310 1.521 19.659 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.646 1.878 19.241 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.113 2.079 17.527 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.772 3.199 17.660 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.959 1.450 15.585 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.403 1.942 16.224 1.00 0.00 H new ATOM 195 N VAL A 13 -13.390 -1.170 17.740 1.00 0.00 N ATOM 196 CA VAL A 13 -14.597 -1.963 17.933 1.00 0.00 C ATOM 197 C VAL A 13 -14.253 -3.378 18.379 1.00 0.00 C ATOM 198 O VAL A 13 -14.931 -3.956 19.229 1.00 0.00 O ATOM 199 CB VAL A 13 -15.437 -2.033 16.643 1.00 0.00 C ATOM 200 CG1 VAL A 13 -16.784 -2.685 16.917 1.00 0.00 C ATOM 201 CG2 VAL A 13 -15.620 -0.645 16.049 1.00 0.00 C ATOM 0 H VAL A 13 -13.213 -0.898 16.773 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.181 -1.469 18.710 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.903 -2.646 15.917 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.363 -2.726 15.994 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.629 -3.696 17.293 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.326 -2.101 17.660 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.216 -0.714 15.139 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.131 -0.006 16.769 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.645 -0.219 15.813 1.00 0.00 H new ATOM 211 N ASN A 14 -13.192 -3.928 17.800 1.00 0.00 N ATOM 212 CA ASN A 14 -12.750 -5.278 18.137 1.00 0.00 C ATOM 213 C ASN A 14 -11.227 -5.354 18.260 1.00 0.00 C ATOM 214 O ASN A 14 -10.663 -6.441 18.373 1.00 0.00 O ATOM 215 CB ASN A 14 -13.239 -6.279 17.085 1.00 0.00 C ATOM 216 CG ASN A 14 -13.255 -5.698 15.683 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.300 -5.645 15.034 1.00 0.00 O ATOM 218 ND2 ASN A 14 -12.095 -5.259 15.208 1.00 0.00 N ATOM 0 H ASN A 14 -12.621 -3.461 17.095 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.182 -5.534 19.104 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.596 -7.159 17.101 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -14.243 -6.613 17.347 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.046 -4.859 14.271 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.253 -5.322 15.780 1.00 0.00 H new ATOM 225 N HIS A 15 -10.565 -4.197 18.242 1.00 0.00 N ATOM 226 CA HIS A 15 -9.111 -4.143 18.355 1.00 0.00 C ATOM 227 C HIS A 15 -8.445 -5.108 17.372 1.00 0.00 C ATOM 228 O HIS A 15 -7.573 -5.893 17.748 1.00 0.00 O ATOM 229 CB HIS A 15 -8.681 -4.463 19.790 1.00 0.00 C ATOM 230 CG HIS A 15 -8.125 -3.283 20.524 1.00 0.00 C ATOM 231 ND1 HIS A 15 -8.442 -2.992 21.834 1.00 0.00 N ATOM 232 CD2 HIS A 15 -7.265 -2.316 20.123 1.00 0.00 C ATOM 233 CE1 HIS A 15 -7.803 -1.898 22.207 1.00 0.00 C ATOM 234 NE2 HIS A 15 -7.083 -1.468 21.188 1.00 0.00 N ATOM 0 H HIS A 15 -11.014 -3.286 18.150 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.788 -3.132 18.105 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.538 -4.852 20.340 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.931 -5.254 19.768 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.808 -2.228 19.148 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.860 -1.434 23.181 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.488 -0.640 21.191 1.00 0.00 H new ATOM 243 N GLU A 16 -8.863 -5.043 16.112 1.00 0.00 N ATOM 244 CA GLU A 16 -8.307 -5.909 15.077 1.00 0.00 C ATOM 245 C GLU A 16 -8.014 -5.118 13.806 1.00 0.00 C ATOM 246 O GLU A 16 -8.691 -4.134 13.505 1.00 0.00 O ATOM 247 CB GLU A 16 -9.274 -7.057 14.773 1.00 0.00 C ATOM 248 CG GLU A 16 -8.718 -8.428 15.125 1.00 0.00 C ATOM 249 CD GLU A 16 -8.286 -9.214 13.903 1.00 0.00 C ATOM 250 OE1 GLU A 16 -9.169 -9.699 13.166 1.00 0.00 O ATOM 251 OE2 GLU A 16 -7.063 -9.345 13.683 1.00 0.00 O ATOM 0 H GLU A 16 -9.584 -4.401 15.783 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.369 -6.323 15.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.200 -6.897 15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.527 -7.037 13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.867 -8.309 15.796 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.475 -8.994 15.668 1.00 0.00 H new ATOM 258 N TRP A 17 -7.001 -5.553 13.064 1.00 0.00 N ATOM 259 CA TRP A 17 -6.618 -4.885 11.825 1.00 0.00 C ATOM 260 C TRP A 17 -7.635 -5.159 10.722 1.00 0.00 C ATOM 261 O TRP A 17 -8.185 -6.256 10.630 1.00 0.00 O ATOM 262 CB TRP A 17 -5.228 -5.345 11.381 1.00 0.00 C ATOM 263 CG TRP A 17 -4.204 -5.280 12.472 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.843 -6.288 13.317 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.410 -4.145 12.837 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.874 -5.850 14.187 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.591 -4.538 13.912 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.311 -2.835 12.358 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.686 -3.668 14.516 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.413 -1.973 12.959 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.611 -2.392 14.028 1.00 0.00 C ATOM 0 H TRP A 17 -6.430 -6.365 13.299 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.594 -3.812 12.013 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.292 -6.369 11.014 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.898 -4.727 10.546 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.258 -7.285 13.304 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.437 -6.410 14.918 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.925 -2.503 11.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.066 -3.989 15.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.328 -0.959 12.598 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.919 -1.694 14.476 1.00 0.00 H new ATOM 282 N TYR A 18 -7.879 -4.155 9.886 1.00 0.00 N ATOM 283 CA TYR A 18 -8.829 -4.288 8.788 1.00 0.00 C ATOM 284 C TYR A 18 -8.206 -3.822 7.472 1.00 0.00 C ATOM 285 O TYR A 18 -7.818 -2.661 7.340 1.00 0.00 O ATOM 286 CB TYR A 18 -10.094 -3.478 9.081 1.00 0.00 C ATOM 287 CG TYR A 18 -11.078 -4.193 9.979 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.481 -5.494 9.701 1.00 0.00 C ATOM 289 CD2 TYR A 18 -11.602 -3.569 11.102 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.381 -6.151 10.520 1.00 0.00 C ATOM 291 CE2 TYR A 18 -12.501 -4.220 11.926 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.887 -5.510 11.630 1.00 0.00 C ATOM 293 OH TYR A 18 -13.782 -6.162 12.448 1.00 0.00 O ATOM 0 H TYR A 18 -7.432 -3.240 9.948 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.094 -5.341 8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.811 -2.534 9.546 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.585 -3.235 8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.085 -5.999 8.832 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.303 -2.558 11.336 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.686 -7.161 10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.899 -3.721 12.797 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.927 -5.634 13.261 1.00 0.00 H new ATOM 303 N PRO A 19 -8.100 -4.721 6.476 1.00 0.00 N ATOM 304 CA PRO A 19 -7.519 -4.384 5.171 1.00 0.00 C ATOM 305 C PRO A 19 -8.398 -3.427 4.375 1.00 0.00 C ATOM 306 O PRO A 19 -9.168 -3.847 3.512 1.00 0.00 O ATOM 307 CB PRO A 19 -7.422 -5.737 4.462 1.00 0.00 C ATOM 308 CG PRO A 19 -8.468 -6.579 5.106 1.00 0.00 C ATOM 309 CD PRO A 19 -8.535 -6.130 6.539 1.00 0.00 C ATOM 0 HA PRO A 19 -6.562 -3.873 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.599 -5.636 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.432 -6.176 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.431 -6.451 4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.213 -7.637 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.544 -6.222 6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.881 -6.724 7.177 1.00 0.00 H new ATOM 317 N HIS A 20 -8.277 -2.136 4.670 1.00 0.00 N ATOM 318 CA HIS A 20 -9.060 -1.117 3.981 1.00 0.00 C ATOM 319 C HIS A 20 -8.159 -0.206 3.154 1.00 0.00 C ATOM 320 O HIS A 20 -6.936 -0.236 3.291 1.00 0.00 O ATOM 321 CB HIS A 20 -9.857 -0.288 4.990 1.00 0.00 C ATOM 322 CG HIS A 20 -11.218 -0.842 5.276 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.682 -1.074 6.554 1.00 0.00 N ATOM 324 CD2 HIS A 20 -12.219 -1.208 4.442 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.908 -1.561 6.492 1.00 0.00 C ATOM 326 NE2 HIS A 20 -13.258 -1.651 5.222 1.00 0.00 N ATOM 0 H HIS A 20 -7.644 -1.771 5.382 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.753 -1.620 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.295 -0.227 5.922 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.960 0.729 4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.203 -1.160 3.363 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.521 -1.839 7.337 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -14.154 -1.994 4.877 1.00 0.00 H new ATOM 335 N TYR A 21 -8.772 0.605 2.298 1.00 0.00 N ATOM 336 CA TYR A 21 -8.023 1.526 1.450 1.00 0.00 C ATOM 337 C TYR A 21 -7.488 2.700 2.262 1.00 0.00 C ATOM 338 O TYR A 21 -7.824 2.862 3.435 1.00 0.00 O ATOM 339 CB TYR A 21 -8.910 2.038 0.313 1.00 0.00 C ATOM 340 CG TYR A 21 -8.965 1.107 -0.877 1.00 0.00 C ATOM 341 CD1 TYR A 21 -9.492 -0.173 -0.758 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.488 1.507 -2.120 1.00 0.00 C ATOM 343 CE1 TYR A 21 -9.543 -1.027 -1.843 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.538 0.659 -3.209 1.00 0.00 C ATOM 345 CZ TYR A 21 -9.065 -0.607 -3.065 1.00 0.00 C ATOM 346 OH TYR A 21 -9.115 -1.455 -4.148 1.00 0.00 O ATOM 0 H TYR A 21 -9.784 0.643 2.173 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.176 0.986 1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.921 2.190 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.542 3.011 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.868 -0.506 0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.072 2.497 -2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.956 -2.019 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.166 0.986 -4.169 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.739 -1.005 -4.933 1.00 0.00 H new ATOM 356 N PHE A 22 -6.653 3.518 1.630 1.00 0.00 N ATOM 357 CA PHE A 22 -6.070 4.678 2.294 1.00 0.00 C ATOM 358 C PHE A 22 -5.417 5.613 1.281 1.00 0.00 C ATOM 359 O PHE A 22 -4.795 5.164 0.318 1.00 0.00 O ATOM 360 CB PHE A 22 -5.042 4.228 3.336 1.00 0.00 C ATOM 361 CG PHE A 22 -5.404 4.615 4.741 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.035 5.849 5.251 1.00 0.00 C ATOM 363 CD2 PHE A 22 -6.112 3.744 5.553 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.366 6.207 6.544 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.447 4.096 6.847 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.073 5.330 7.343 1.00 0.00 C ATOM 0 H PHE A 22 -6.365 3.399 0.659 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.870 5.223 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.933 3.145 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.072 4.659 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.482 6.539 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.406 2.778 5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.072 7.172 6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.000 3.408 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.333 5.608 8.354 1.00 0.00 H new ATOM 376 N VAL A 23 -5.562 6.915 1.506 1.00 0.00 N ATOM 377 CA VAL A 23 -4.986 7.912 0.614 1.00 0.00 C ATOM 378 C VAL A 23 -4.292 9.014 1.407 1.00 0.00 C ATOM 379 O VAL A 23 -4.643 9.281 2.556 1.00 0.00 O ATOM 380 CB VAL A 23 -6.061 8.543 -0.292 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.425 9.484 -1.304 1.00 0.00 C ATOM 382 CG2 VAL A 23 -6.866 7.461 -0.993 1.00 0.00 C ATOM 0 H VAL A 23 -6.074 7.303 2.299 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.255 7.399 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.740 9.125 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.201 9.919 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.896 10.279 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.722 8.929 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.621 7.923 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.201 6.851 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.354 6.831 -0.249 1.00 0.00 H new ATOM 392 N LEU A 24 -3.302 9.649 0.788 1.00 0.00 N ATOM 393 CA LEU A 24 -2.558 10.719 1.441 1.00 0.00 C ATOM 394 C LEU A 24 -2.403 11.923 0.518 1.00 0.00 C ATOM 395 O LEU A 24 -1.661 11.872 -0.463 1.00 0.00 O ATOM 396 CB LEU A 24 -1.180 10.215 1.875 1.00 0.00 C ATOM 397 CG LEU A 24 -0.304 11.253 2.578 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.527 11.208 4.082 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.163 11.023 2.247 1.00 0.00 C ATOM 0 H LEU A 24 -2.997 9.441 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.120 11.032 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.315 9.364 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.650 9.850 0.995 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.586 12.243 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.104 11.953 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.573 11.421 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.272 10.217 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.772 11.770 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.459 10.027 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.310 11.106 1.170 1.00 0.00 H new ATOM 411 N THR A 25 -3.102 13.006 0.841 1.00 0.00 N ATOM 412 CA THR A 25 -3.033 14.224 0.043 1.00 0.00 C ATOM 413 C THR A 25 -2.013 15.193 0.631 1.00 0.00 C ATOM 414 O THR A 25 -1.674 15.113 1.813 1.00 0.00 O ATOM 415 CB THR A 25 -4.407 14.893 -0.042 1.00 0.00 C ATOM 416 OG1 THR A 25 -5.014 14.963 1.234 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.366 14.173 -0.967 1.00 0.00 C ATOM 0 H THR A 25 -3.722 13.065 1.649 1.00 0.00 H new ATOM 0 HA THR A 25 -2.716 13.952 -0.964 1.00 0.00 H new ATOM 0 HB THR A 25 -4.217 15.889 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.329 14.866 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.321 14.699 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.950 14.148 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.518 13.154 -0.612 1.00 0.00 H new ATOM 425 N SER A 26 -1.520 16.102 -0.202 1.00 0.00 N ATOM 426 CA SER A 26 -0.530 17.083 0.230 1.00 0.00 C ATOM 427 C SER A 26 -1.087 18.023 1.298 1.00 0.00 C ATOM 428 O SER A 26 -0.331 18.745 1.949 1.00 0.00 O ATOM 429 CB SER A 26 -0.038 17.897 -0.969 1.00 0.00 C ATOM 430 OG SER A 26 1.012 17.226 -1.644 1.00 0.00 O ATOM 0 H SER A 26 -1.790 16.181 -1.182 1.00 0.00 H new ATOM 0 HA SER A 26 0.303 16.535 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.864 18.072 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.308 18.874 -0.632 1.00 0.00 H new ATOM 0 HG SER A 26 1.308 17.765 -2.407 1.00 0.00 H new ATOM 436 N SER A 27 -2.405 18.024 1.474 1.00 0.00 N ATOM 437 CA SER A 27 -3.037 18.893 2.462 1.00 0.00 C ATOM 438 C SER A 27 -3.629 18.102 3.628 1.00 0.00 C ATOM 439 O SER A 27 -4.085 18.690 4.609 1.00 0.00 O ATOM 440 CB SER A 27 -4.128 19.736 1.800 1.00 0.00 C ATOM 441 OG SER A 27 -3.570 20.823 1.084 1.00 0.00 O ATOM 0 H SER A 27 -3.053 17.437 0.949 1.00 0.00 H new ATOM 0 HA SER A 27 -2.262 19.545 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.713 19.113 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.813 20.111 2.560 1.00 0.00 H new ATOM 0 HG SER A 27 -4.288 21.345 0.669 1.00 0.00 H new ATOM 447 N LYS A 28 -3.628 16.774 3.525 1.00 0.00 N ATOM 448 CA LYS A 28 -4.175 15.932 4.588 1.00 0.00 C ATOM 449 C LYS A 28 -4.205 14.464 4.172 1.00 0.00 C ATOM 450 O LYS A 28 -3.719 14.100 3.102 1.00 0.00 O ATOM 451 CB LYS A 28 -5.590 16.394 4.960 1.00 0.00 C ATOM 452 CG LYS A 28 -6.463 16.724 3.759 1.00 0.00 C ATOM 453 CD LYS A 28 -7.373 17.910 4.040 1.00 0.00 C ATOM 454 CE LYS A 28 -7.374 18.899 2.885 1.00 0.00 C ATOM 455 NZ LYS A 28 -7.421 20.309 3.362 1.00 0.00 N ATOM 0 H LYS A 28 -3.258 16.261 2.724 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.524 16.029 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.075 15.613 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.519 17.274 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.831 16.945 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.067 15.855 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.389 17.556 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.046 18.413 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.480 18.750 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.232 18.705 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.420 20.952 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.286 20.458 3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.589 20.503 3.956 1.00 0.00 H new ATOM 469 N ILE A 29 -4.784 13.627 5.028 1.00 0.00 N ATOM 470 CA ILE A 29 -4.888 12.198 4.755 1.00 0.00 C ATOM 471 C ILE A 29 -6.346 11.798 4.567 1.00 0.00 C ATOM 472 O ILE A 29 -7.217 12.237 5.318 1.00 0.00 O ATOM 473 CB ILE A 29 -4.280 11.354 5.894 1.00 0.00 C ATOM 474 CG1 ILE A 29 -3.003 12.009 6.426 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.993 9.941 5.410 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.350 11.234 7.552 1.00 0.00 C ATOM 0 H ILE A 29 -5.189 13.915 5.919 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.328 12.004 3.840 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.002 11.301 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.291 12.115 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.238 13.014 6.776 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.564 9.357 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.921 9.474 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.288 9.977 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.451 11.756 7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.045 11.150 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.083 10.237 7.201 1.00 0.00 H new ATOM 488 N TYR A 30 -6.612 10.969 3.563 1.00 0.00 N ATOM 489 CA TYR A 30 -7.974 10.524 3.286 1.00 0.00 C ATOM 490 C TYR A 30 -8.122 9.027 3.532 1.00 0.00 C ATOM 491 O TYR A 30 -7.246 8.239 3.176 1.00 0.00 O ATOM 492 CB TYR A 30 -8.357 10.858 1.844 1.00 0.00 C ATOM 493 CG TYR A 30 -8.798 12.293 1.651 1.00 0.00 C ATOM 494 CD1 TYR A 30 -7.870 13.296 1.400 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.141 12.642 1.720 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.268 14.607 1.225 1.00 0.00 C ATOM 497 CE2 TYR A 30 -10.546 13.952 1.546 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.607 14.930 1.297 1.00 0.00 C ATOM 499 OH TYR A 30 -10.007 16.234 1.123 1.00 0.00 O ATOM 0 H TYR A 30 -5.906 10.593 2.930 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.645 11.050 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.504 10.658 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.161 10.194 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.821 13.047 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.880 11.878 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.534 15.376 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.594 14.208 1.605 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.982 16.291 1.203 1.00 0.00 H new ATOM 509 N TYR A 31 -9.237 8.641 4.143 1.00 0.00 N ATOM 510 CA TYR A 31 -9.501 7.238 4.436 1.00 0.00 C ATOM 511 C TYR A 31 -10.997 6.991 4.611 1.00 0.00 C ATOM 512 O TYR A 31 -11.759 7.915 4.896 1.00 0.00 O ATOM 513 CB TYR A 31 -8.749 6.807 5.696 1.00 0.00 C ATOM 514 CG TYR A 31 -9.150 7.575 6.935 1.00 0.00 C ATOM 515 CD1 TYR A 31 -10.187 7.130 7.746 1.00 0.00 C ATOM 516 CD2 TYR A 31 -8.493 8.745 7.294 1.00 0.00 C ATOM 517 CE1 TYR A 31 -10.557 7.829 8.879 1.00 0.00 C ATOM 518 CE2 TYR A 31 -8.856 9.449 8.425 1.00 0.00 C ATOM 519 CZ TYR A 31 -9.889 8.987 9.214 1.00 0.00 C ATOM 520 OH TYR A 31 -10.253 9.687 10.343 1.00 0.00 O ATOM 0 H TYR A 31 -9.972 9.280 4.445 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.149 6.644 3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.922 5.744 5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.679 6.934 5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.712 6.223 7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.685 9.110 6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.365 7.470 9.499 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.334 10.356 8.691 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.682 10.478 10.436 1.00 0.00 H new ATOM 530 N SER A 32 -11.408 5.739 4.440 1.00 0.00 N ATOM 531 CA SER A 32 -12.811 5.368 4.579 1.00 0.00 C ATOM 532 C SER A 32 -13.017 4.465 5.789 1.00 0.00 C ATOM 533 O SER A 32 -13.610 4.871 6.789 1.00 0.00 O ATOM 534 CB SER A 32 -13.302 4.667 3.311 1.00 0.00 C ATOM 535 OG SER A 32 -14.575 5.151 2.920 1.00 0.00 O ATOM 0 H SER A 32 -10.789 4.964 4.205 1.00 0.00 H new ATOM 0 HA SER A 32 -13.390 6.279 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.586 4.825 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.356 3.592 3.484 1.00 0.00 H new ATOM 0 HG SER A 32 -14.865 4.688 2.106 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.062 10.319 5.960 1.00 0.00 N ATOM 1397 CA GLY A 91 -11.995 10.503 6.925 1.00 0.00 C ATOM 1398 C GLY A 91 -10.926 11.459 6.433 1.00 0.00 C ATOM 1399 O GLY A 91 -10.333 11.248 5.375 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.414 10.880 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.540 9.538 7.148 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.680 12.514 7.204 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.676 13.509 6.844 1.00 0.00 C ATOM 1405 C VAL A 92 -8.773 13.833 8.032 1.00 0.00 C ATOM 1406 O VAL A 92 -9.244 13.974 9.161 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.332 14.808 6.335 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.191 15.439 7.421 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.274 15.786 5.846 1.00 0.00 C ATOM 0 H VAL A 92 -11.163 12.702 8.083 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.074 13.080 6.043 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.979 14.558 5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.644 16.354 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.975 14.741 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.570 15.674 8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.757 16.696 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.597 16.030 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.709 15.333 5.031 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.474 13.946 7.772 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.508 14.250 8.823 1.00 0.00 C ATOM 1421 C LEU A 93 -5.451 15.236 8.331 1.00 0.00 C ATOM 1422 O LEU A 93 -4.838 15.034 7.284 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.838 12.964 9.315 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.874 12.752 10.832 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.717 11.536 11.184 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.464 12.604 11.385 1.00 0.00 C ATOM 0 H LEU A 93 -7.066 13.832 6.844 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.045 14.712 9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.321 12.114 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.798 12.967 8.989 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.332 13.629 11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.730 11.403 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.735 11.683 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.291 10.649 10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.510 12.454 12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.979 11.746 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.892 13.506 11.168 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.240 16.301 9.099 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.255 17.319 8.747 1.00 0.00 C ATOM 1440 C ASP A 94 -2.858 16.714 8.659 1.00 0.00 C ATOM 1441 O ASP A 94 -2.346 16.170 9.636 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.270 18.449 9.777 1.00 0.00 C ATOM 1443 CG ASP A 94 -3.969 19.801 9.158 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -4.747 20.242 8.287 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -2.953 20.417 9.546 1.00 0.00 O ATOM 0 H ASP A 94 -5.739 16.482 9.970 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.519 17.724 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.246 18.483 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.536 18.237 10.555 1.00 0.00 H new ATOM 1450 N VAL A 95 -2.248 16.808 7.482 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.912 16.263 7.270 1.00 0.00 C ATOM 1452 C VAL A 95 0.195 17.220 7.736 1.00 0.00 C ATOM 1453 O VAL A 95 1.236 16.768 8.213 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.678 15.869 5.790 1.00 0.00 C ATOM 1455 CG1 VAL A 95 -0.502 17.092 4.899 1.00 0.00 C ATOM 1456 CG2 VAL A 95 0.524 14.945 5.675 1.00 0.00 C ATOM 0 H VAL A 95 -2.657 17.256 6.662 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.858 15.364 7.883 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.566 15.340 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.340 16.772 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.398 17.711 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.358 17.669 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.677 14.676 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.411 15.453 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.346 14.043 6.260 1.00 0.00 H new ATOM 1466 N PRO A 96 0.007 18.553 7.608 1.00 0.00 N ATOM 1467 CA PRO A 96 1.019 19.530 8.024 1.00 0.00 C ATOM 1468 C PRO A 96 1.087 19.695 9.542 1.00 0.00 C ATOM 1469 O PRO A 96 0.978 20.806 10.060 1.00 0.00 O ATOM 1470 CB PRO A 96 0.561 20.845 7.366 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.594 20.485 6.488 1.00 0.00 C ATOM 1472 CD PRO A 96 -1.174 19.223 7.052 1.00 0.00 C ATOM 0 HA PRO A 96 2.019 19.216 7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.266 21.576 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.368 21.293 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.337 21.283 6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.268 20.337 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.923 19.427 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.659 18.620 6.284 1.00 0.00 H new ATOM 1480 N ALA A 97 1.272 18.582 10.253 1.00 0.00 N ATOM 1481 CA ALA A 97 1.358 18.606 11.714 1.00 0.00 C ATOM 1482 C ALA A 97 1.293 17.195 12.289 1.00 0.00 C ATOM 1483 O ALA A 97 0.612 16.953 13.285 1.00 0.00 O ATOM 1484 CB ALA A 97 0.246 19.465 12.303 1.00 0.00 C ATOM 0 H ALA A 97 1.365 17.653 9.842 1.00 0.00 H new ATOM 0 HA ALA A 97 2.319 19.043 11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.327 19.470 13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.336 20.484 11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.722 19.056 12.013 1.00 0.00 H new ATOM 1490 N CYS A 98 2.000 16.266 11.655 1.00 0.00 N ATOM 1491 CA CYS A 98 2.015 14.880 12.106 1.00 0.00 C ATOM 1492 C CYS A 98 3.441 14.391 12.340 1.00 0.00 C ATOM 1493 O CYS A 98 4.404 14.996 11.866 1.00 0.00 O ATOM 1494 CB CYS A 98 1.318 13.981 11.084 1.00 0.00 C ATOM 1495 SG CYS A 98 -0.453 13.768 11.374 1.00 0.00 S ATOM 0 H CYS A 98 2.569 16.448 10.828 1.00 0.00 H new ATOM 0 HA CYS A 98 1.477 14.831 13.053 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.464 14.400 10.088 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.797 13.002 11.091 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.113 14.675 10.717 1.00 0.00 H new ATOM 1501 N GLN A 99 3.566 13.290 13.073 1.00 0.00 N ATOM 1502 CA GLN A 99 4.868 12.708 13.375 1.00 0.00 C ATOM 1503 C GLN A 99 4.777 11.187 13.418 1.00 0.00 C ATOM 1504 O GLN A 99 4.317 10.610 14.403 1.00 0.00 O ATOM 1505 CB GLN A 99 5.393 13.239 14.711 1.00 0.00 C ATOM 1506 CG GLN A 99 6.906 13.373 14.759 1.00 0.00 C ATOM 1507 CD GLN A 99 7.559 12.315 15.628 1.00 0.00 C ATOM 1508 OE1 GLN A 99 8.260 11.434 15.131 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.328 12.397 16.933 1.00 0.00 N ATOM 0 H GLN A 99 2.777 12.781 13.471 1.00 0.00 H new ATOM 0 HA GLN A 99 5.562 12.994 12.585 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.944 14.213 14.907 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.070 12.572 15.510 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.305 13.304 13.747 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.168 14.361 15.138 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.740 13.145 17.301 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.739 11.712 17.568 1.00 0.00 H new ATOM 1518 N ILE A 100 5.212 10.543 12.340 1.00 0.00 N ATOM 1519 CA ILE A 100 5.173 9.089 12.249 1.00 0.00 C ATOM 1520 C ILE A 100 6.202 8.446 13.172 1.00 0.00 C ATOM 1521 O ILE A 100 7.165 9.089 13.592 1.00 0.00 O ATOM 1522 CB ILE A 100 5.427 8.607 10.806 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.643 9.460 9.806 1.00 0.00 C ATOM 1524 CG2 ILE A 100 5.053 7.139 10.665 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.156 9.514 10.089 1.00 0.00 C ATOM 0 H ILE A 100 5.596 11.006 11.516 1.00 0.00 H new ATOM 0 HA ILE A 100 4.173 8.785 12.558 1.00 0.00 H new ATOM 0 HB ILE A 100 6.489 8.716 10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.043 10.474 9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.799 9.064 8.803 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.238 6.813 9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.656 6.543 11.350 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.997 7.008 10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.665 10.136 9.340 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.742 8.506 10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.989 9.938 11.079 1.00 0.00 H new ATOM 1537 N ALA A 101 5.991 7.170 13.482 1.00 0.00 N ATOM 1538 CA ALA A 101 6.896 6.430 14.352 1.00 0.00 C ATOM 1539 C ALA A 101 6.797 4.931 14.091 1.00 0.00 C ATOM 1540 O ALA A 101 5.988 4.236 14.705 1.00 0.00 O ATOM 1541 CB ALA A 101 6.593 6.736 15.812 1.00 0.00 C ATOM 0 H ALA A 101 5.198 6.626 13.142 1.00 0.00 H new ATOM 0 HA ALA A 101 7.916 6.746 14.132 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.277 6.176 16.450 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.718 7.803 15.994 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.567 6.448 16.039 1.00 0.00 H new ATOM 1547 N ILE A 102 7.623 4.438 13.172 1.00 0.00 N ATOM 1548 CA ILE A 102 7.625 3.021 12.825 1.00 0.00 C ATOM 1549 C ILE A 102 7.864 2.149 14.054 1.00 0.00 C ATOM 1550 O ILE A 102 8.552 2.552 14.993 1.00 0.00 O ATOM 1551 CB ILE A 102 8.696 2.702 11.763 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.486 3.567 10.517 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.666 1.222 11.400 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.720 4.339 10.103 1.00 0.00 C ATOM 0 H ILE A 102 8.299 4.999 12.655 1.00 0.00 H new ATOM 0 HA ILE A 102 6.640 2.798 12.414 1.00 0.00 H new ATOM 0 HB ILE A 102 9.676 2.931 12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.172 2.929 9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.674 4.269 10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.429 1.016 10.649 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.863 0.625 12.290 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.685 0.965 11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.499 4.930 9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.023 5.002 10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.529 3.642 9.883 1.00 0.00 H new ATOM 1566 N ARG A 103 7.292 0.950 14.036 1.00 0.00 N ATOM 1567 CA ARG A 103 7.440 0.011 15.140 1.00 0.00 C ATOM 1568 C ARG A 103 7.546 -1.421 14.616 1.00 0.00 C ATOM 1569 O ARG A 103 6.590 -1.951 14.050 1.00 0.00 O ATOM 1570 CB ARG A 103 6.254 0.128 16.099 1.00 0.00 C ATOM 1571 CG ARG A 103 6.212 1.446 16.855 1.00 0.00 C ATOM 1572 CD ARG A 103 4.783 1.901 17.104 1.00 0.00 C ATOM 1573 NE ARG A 103 3.973 0.852 17.720 1.00 0.00 N ATOM 1574 CZ ARG A 103 2.841 1.082 18.381 1.00 0.00 C ATOM 1575 NH1 ARG A 103 2.380 2.319 18.514 1.00 0.00 N ATOM 1576 NH2 ARG A 103 2.167 0.070 18.911 1.00 0.00 N ATOM 0 H ARG A 103 6.720 0.605 13.265 1.00 0.00 H new ATOM 0 HA ARG A 103 8.356 0.256 15.677 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.328 0.012 15.535 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.295 -0.692 16.816 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.731 1.337 17.807 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.744 2.209 16.287 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.790 2.780 17.749 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.329 2.202 16.160 1.00 0.00 H new ATOM 0 HE ARG A 103 4.294 -0.113 17.639 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.894 3.101 18.108 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.512 2.488 19.022 1.00 0.00 H new ATOM 0 HH21 ARG A 103 2.516 -0.883 18.812 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.299 0.245 19.418 1.00 0.00 H new ATOM 1590 N PRO A 104 8.714 -2.070 14.792 1.00 0.00 N ATOM 1591 CA PRO A 104 8.932 -3.446 14.325 1.00 0.00 C ATOM 1592 C PRO A 104 8.092 -4.477 15.085 1.00 0.00 C ATOM 1593 O PRO A 104 8.176 -5.674 14.811 1.00 0.00 O ATOM 1594 CB PRO A 104 10.427 -3.692 14.581 1.00 0.00 C ATOM 1595 CG PRO A 104 11.015 -2.348 14.849 1.00 0.00 C ATOM 1596 CD PRO A 104 9.913 -1.524 15.443 1.00 0.00 C ATOM 0 HA PRO A 104 8.638 -3.556 13.281 1.00 0.00 H new ATOM 0 HB2 PRO A 104 10.575 -4.360 15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.900 -4.162 13.719 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.860 -2.422 15.534 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.388 -1.896 13.930 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.868 -1.629 16.527 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.041 -0.463 15.230 1.00 0.00 H new ATOM 1604 N GLU A 105 7.288 -4.014 16.040 1.00 0.00 N ATOM 1605 CA GLU A 105 6.444 -4.903 16.828 1.00 0.00 C ATOM 1606 C GLU A 105 5.085 -4.261 17.086 1.00 0.00 C ATOM 1607 O GLU A 105 4.689 -4.054 18.234 1.00 0.00 O ATOM 1608 CB GLU A 105 7.125 -5.244 18.156 1.00 0.00 C ATOM 1609 CG GLU A 105 7.995 -6.489 18.091 1.00 0.00 C ATOM 1610 CD GLU A 105 9.004 -6.553 19.221 1.00 0.00 C ATOM 1611 OE1 GLU A 105 9.409 -5.482 19.718 1.00 0.00 O ATOM 1612 OE2 GLU A 105 9.389 -7.677 19.609 1.00 0.00 O ATOM 0 H GLU A 105 7.205 -3.027 16.285 1.00 0.00 H new ATOM 0 HA GLU A 105 6.293 -5.823 16.263 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.738 -4.398 18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.361 -5.384 18.921 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.360 -7.374 18.125 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.521 -6.511 17.137 1.00 0.00 H new ATOM 1619 N GLY A 106 4.381 -3.942 16.003 1.00 0.00 N ATOM 1620 CA GLY A 106 3.072 -3.317 16.110 1.00 0.00 C ATOM 1621 C GLY A 106 2.197 -3.939 17.183 1.00 0.00 C ATOM 1622 O GLY A 106 2.155 -3.455 18.314 1.00 0.00 O ATOM 0 H GLY A 106 4.696 -4.106 15.047 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.200 -2.256 16.325 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.563 -3.389 15.149 1.00 0.00 H new ATOM 1626 N LYS A 107 1.492 -5.009 16.828 1.00 0.00 N ATOM 1627 CA LYS A 107 0.612 -5.685 17.776 1.00 0.00 C ATOM 1628 C LYS A 107 -0.022 -6.928 17.157 1.00 0.00 C ATOM 1629 O LYS A 107 -0.079 -7.068 15.935 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.484 -4.727 18.249 1.00 0.00 C ATOM 1631 CG LYS A 107 -1.092 -5.107 19.588 1.00 0.00 C ATOM 1632 CD LYS A 107 -2.171 -4.122 20.004 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.587 -2.949 20.777 1.00 0.00 C ATOM 1634 NZ LYS A 107 -2.613 -1.911 21.070 1.00 0.00 N ATOM 0 H LYS A 107 1.512 -5.425 15.897 1.00 0.00 H new ATOM 0 HA LYS A 107 1.215 -5.999 18.628 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.069 -3.722 18.321 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.273 -4.693 17.498 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.516 -6.109 19.526 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.312 -5.138 20.349 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.690 -3.754 19.119 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.913 -4.631 20.619 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.157 -3.308 21.712 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.774 -2.504 20.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.175 -1.129 21.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.006 -1.549 20.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.376 -2.328 21.640 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.503 -7.825 18.013 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.142 -9.057 17.564 1.00 0.00 C ATOM 1650 C ASN A 108 -0.177 -9.910 16.742 1.00 0.00 C ATOM 1651 O ASN A 108 0.461 -10.821 17.269 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.397 -8.738 16.747 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.657 -8.770 17.589 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.601 -8.669 18.815 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.803 -8.911 16.933 1.00 0.00 N ATOM 0 H ASN A 108 -0.462 -7.720 19.027 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.431 -9.628 18.446 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.291 -7.753 16.293 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.489 -9.456 15.932 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.684 -8.939 17.446 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.802 -8.991 15.916 1.00 0.00 H new ATOM 1662 N ASN A 109 -0.078 -9.613 15.452 1.00 0.00 N ATOM 1663 CA ASN A 109 0.806 -10.357 14.563 1.00 0.00 C ATOM 1664 C ASN A 109 1.383 -9.449 13.483 1.00 0.00 C ATOM 1665 O ASN A 109 1.653 -9.890 12.366 1.00 0.00 O ATOM 1666 CB ASN A 109 0.054 -11.523 13.919 1.00 0.00 C ATOM 1667 CG ASN A 109 0.907 -12.772 13.810 1.00 0.00 C ATOM 1668 OD1 ASN A 109 0.505 -13.852 14.246 1.00 0.00 O ATOM 1669 ND2 ASN A 109 2.091 -12.631 13.227 1.00 0.00 N ATOM 0 H ASN A 109 -0.599 -8.862 14.998 1.00 0.00 H new ATOM 0 HA ASN A 109 1.630 -10.751 15.158 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.837 -11.745 14.506 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.284 -11.229 12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.709 -13.436 13.126 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.383 -11.717 12.880 1.00 0.00 H new ATOM 1676 N ARG A 110 1.570 -8.179 13.823 1.00 0.00 N ATOM 1677 CA ARG A 110 2.117 -7.208 12.885 1.00 0.00 C ATOM 1678 C ARG A 110 3.479 -6.710 13.355 1.00 0.00 C ATOM 1679 O ARG A 110 3.567 -5.849 14.231 1.00 0.00 O ATOM 1680 CB ARG A 110 1.156 -6.030 12.718 1.00 0.00 C ATOM 1681 CG ARG A 110 -0.217 -6.433 12.207 1.00 0.00 C ATOM 1682 CD ARG A 110 -0.197 -6.710 10.712 1.00 0.00 C ATOM 1683 NE ARG A 110 -1.203 -7.696 10.324 1.00 0.00 N ATOM 1684 CZ ARG A 110 -1.465 -8.030 9.063 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -0.800 -7.462 8.066 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -2.398 -8.936 8.799 1.00 0.00 N ATOM 0 H ARG A 110 1.350 -7.798 14.743 1.00 0.00 H new ATOM 0 HA ARG A 110 2.243 -7.700 11.921 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.044 -5.525 13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.594 -5.309 12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.557 -7.322 12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.933 -5.640 12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.372 -5.781 10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.791 -7.067 10.423 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.736 -8.155 11.063 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.083 -6.764 8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.006 -7.723 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.913 -9.375 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.600 -9.193 7.833 1.00 0.00 H new ATOM 1700 N LEU A 111 4.538 -7.259 12.770 1.00 0.00 N ATOM 1701 CA LEU A 111 5.897 -6.870 13.132 1.00 0.00 C ATOM 1702 C LEU A 111 6.349 -5.631 12.359 1.00 0.00 C ATOM 1703 O LEU A 111 7.503 -5.215 12.464 1.00 0.00 O ATOM 1704 CB LEU A 111 6.863 -8.028 12.870 1.00 0.00 C ATOM 1705 CG LEU A 111 6.394 -9.391 13.378 1.00 0.00 C ATOM 1706 CD1 LEU A 111 7.126 -10.512 12.658 1.00 0.00 C ATOM 1707 CD2 LEU A 111 6.601 -9.497 14.883 1.00 0.00 C ATOM 0 H LEU A 111 4.482 -7.974 12.044 1.00 0.00 H new ATOM 0 HA LEU A 111 5.902 -6.626 14.194 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.039 -8.098 11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.821 -7.794 13.335 1.00 0.00 H new ATOM 0 HG LEU A 111 5.329 -9.489 13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.778 -11.474 13.034 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.928 -10.447 11.588 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.198 -10.419 12.835 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.262 -10.473 15.229 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.660 -9.378 15.114 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.030 -8.716 15.385 1.00 0.00 H new ATOM 1719 N PHE A 112 5.441 -5.041 11.587 1.00 0.00 N ATOM 1720 CA PHE A 112 5.761 -3.851 10.807 1.00 0.00 C ATOM 1721 C PHE A 112 4.606 -2.854 10.833 1.00 0.00 C ATOM 1722 O PHE A 112 3.836 -2.756 9.878 1.00 0.00 O ATOM 1723 CB PHE A 112 6.087 -4.233 9.362 1.00 0.00 C ATOM 1724 CG PHE A 112 7.470 -4.789 9.183 1.00 0.00 C ATOM 1725 CD1 PHE A 112 7.793 -6.047 9.667 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.447 -4.054 8.530 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.065 -6.561 9.504 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.721 -4.563 8.364 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.031 -5.819 8.852 1.00 0.00 C ATOM 0 H PHE A 112 4.480 -5.367 11.485 1.00 0.00 H new ATOM 0 HA PHE A 112 6.635 -3.379 11.257 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.361 -4.970 9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.974 -3.353 8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.042 -6.632 10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.210 -3.073 8.147 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.304 -7.542 9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.474 -3.980 7.854 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.026 -6.219 8.724 1.00 0.00 H new ATOM 1739 N VAL A 113 4.494 -2.117 11.931 1.00 0.00 N ATOM 1740 CA VAL A 113 3.436 -1.126 12.083 1.00 0.00 C ATOM 1741 C VAL A 113 4.009 0.222 12.507 1.00 0.00 C ATOM 1742 O VAL A 113 4.865 0.293 13.388 1.00 0.00 O ATOM 1743 CB VAL A 113 2.387 -1.575 13.118 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.222 -0.598 13.162 1.00 0.00 C ATOM 1745 CG2 VAL A 113 1.898 -2.982 12.806 1.00 0.00 C ATOM 0 H VAL A 113 5.124 -2.187 12.730 1.00 0.00 H new ATOM 0 HA VAL A 113 2.953 -1.026 11.111 1.00 0.00 H new ATOM 0 HB VAL A 113 2.858 -1.586 14.101 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.493 -0.934 13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.587 0.391 13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.750 -0.550 12.181 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.158 -3.283 13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.446 -2.999 11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.740 -3.674 12.833 1.00 0.00 H new ATOM 1755 N PHE A 114 3.533 1.289 11.875 1.00 0.00 N ATOM 1756 CA PHE A 114 4.001 2.633 12.190 1.00 0.00 C ATOM 1757 C PHE A 114 2.882 3.474 12.795 1.00 0.00 C ATOM 1758 O PHE A 114 1.828 3.653 12.186 1.00 0.00 O ATOM 1759 CB PHE A 114 4.547 3.315 10.935 1.00 0.00 C ATOM 1760 CG PHE A 114 3.520 3.503 9.855 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.198 2.464 8.998 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.878 4.722 9.698 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.254 2.635 8.003 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.933 4.898 8.705 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.621 3.854 7.856 1.00 0.00 C ATOM 0 H PHE A 114 2.824 1.249 11.143 1.00 0.00 H new ATOM 0 HA PHE A 114 4.802 2.546 12.924 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.955 4.288 11.209 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.372 2.723 10.540 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.690 1.509 9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.119 5.542 10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.012 1.817 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.439 5.852 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.884 3.991 7.079 1.00 0.00 H new ATOM 1775 N SER A 115 3.122 3.986 13.997 1.00 0.00 N ATOM 1776 CA SER A 115 2.136 4.808 14.688 1.00 0.00 C ATOM 1777 C SER A 115 2.431 6.290 14.492 1.00 0.00 C ATOM 1778 O SER A 115 3.578 6.725 14.592 1.00 0.00 O ATOM 1779 CB SER A 115 2.116 4.471 16.179 1.00 0.00 C ATOM 1780 OG SER A 115 1.439 5.472 16.920 1.00 0.00 O ATOM 0 H SER A 115 3.991 3.846 14.513 1.00 0.00 H new ATOM 0 HA SER A 115 1.156 4.593 14.262 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.627 3.509 16.331 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.137 4.371 16.546 1.00 0.00 H new ATOM 0 HG SER A 115 0.643 5.761 16.427 1.00 0.00 H new ATOM 1786 N ILE A 116 1.386 7.063 14.215 1.00 0.00 N ATOM 1787 CA ILE A 116 1.530 8.498 14.005 1.00 0.00 C ATOM 1788 C ILE A 116 1.228 9.270 15.285 1.00 0.00 C ATOM 1789 O ILE A 116 0.542 8.769 16.177 1.00 0.00 O ATOM 1790 CB ILE A 116 0.600 9.003 12.884 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.619 8.038 11.696 1.00 0.00 C ATOM 1792 CG2 ILE A 116 1.011 10.400 12.444 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.299 8.451 10.567 1.00 0.00 C ATOM 0 H ILE A 116 0.430 6.719 14.131 1.00 0.00 H new ATOM 0 HA ILE A 116 2.565 8.671 13.710 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.417 9.049 13.272 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.638 7.963 11.316 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.333 7.044 12.041 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.345 10.743 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.948 11.082 13.292 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.035 10.378 12.072 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.234 7.721 9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.325 8.499 10.931 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.000 9.431 10.195 1.00 0.00 H new ATOM 1805 N SER A 117 1.743 10.492 15.371 1.00 0.00 N ATOM 1806 CA SER A 117 1.527 11.332 16.543 1.00 0.00 C ATOM 1807 C SER A 117 1.534 12.809 16.164 1.00 0.00 C ATOM 1808 O SER A 117 1.937 13.174 15.061 1.00 0.00 O ATOM 1809 CB SER A 117 2.601 11.059 17.597 1.00 0.00 C ATOM 1810 OG SER A 117 2.186 10.047 18.500 1.00 0.00 O ATOM 0 H SER A 117 2.313 10.923 14.643 1.00 0.00 H new ATOM 0 HA SER A 117 0.549 11.087 16.958 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.527 10.756 17.107 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.816 11.975 18.147 1.00 0.00 H new ATOM 0 HG SER A 117 1.594 9.418 18.037 1.00 0.00 H new ATOM 1816 N MET A 118 1.083 13.654 17.085 1.00 0.00 N ATOM 1817 CA MET A 118 1.037 15.093 16.846 1.00 0.00 C ATOM 1818 C MET A 118 1.465 15.867 18.093 1.00 0.00 C ATOM 1819 O MET A 118 0.678 16.040 19.023 1.00 0.00 O ATOM 1820 CB MET A 118 -0.373 15.517 16.432 1.00 0.00 C ATOM 1821 CG MET A 118 -0.885 14.805 15.190 1.00 0.00 C ATOM 1822 SD MET A 118 -2.684 14.807 15.081 1.00 0.00 S ATOM 1823 CE MET A 118 -2.951 16.113 13.885 1.00 0.00 C ATOM 0 H MET A 118 0.744 13.368 18.004 1.00 0.00 H new ATOM 0 HA MET A 118 1.732 15.324 16.039 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.058 15.325 17.258 1.00 0.00 H new ATOM 0 HB3 MET A 118 -0.382 16.592 16.253 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.471 15.285 14.304 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.526 13.776 15.192 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.020 16.234 13.712 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.537 17.046 14.267 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.458 15.854 12.948 1.00 0.00 H new ATOM 1833 N PRO A 119 2.723 16.344 18.131 1.00 0.00 N ATOM 1834 CA PRO A 119 3.246 17.097 19.272 1.00 0.00 C ATOM 1835 C PRO A 119 2.808 18.560 19.261 1.00 0.00 C ATOM 1836 O PRO A 119 3.640 19.466 19.317 1.00 0.00 O ATOM 1837 CB PRO A 119 4.757 16.990 19.082 1.00 0.00 C ATOM 1838 CG PRO A 119 4.941 16.911 17.606 1.00 0.00 C ATOM 1839 CD PRO A 119 3.736 16.182 17.067 1.00 0.00 C ATOM 0 HA PRO A 119 2.885 16.707 20.224 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.272 17.854 19.501 1.00 0.00 H new ATOM 0 HB3 PRO A 119 5.158 16.108 19.580 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.020 17.907 17.170 1.00 0.00 H new ATOM 0 HG3 PRO A 119 5.860 16.380 17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 119 3.398 16.611 16.124 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.955 15.131 16.879 1.00 0.00 H new ATOM 1847 N SER A 120 1.499 18.784 19.189 1.00 0.00 N ATOM 1848 CA SER A 120 0.955 20.138 19.171 1.00 0.00 C ATOM 1849 C SER A 120 -0.568 20.114 19.058 1.00 0.00 C ATOM 1850 O SER A 120 -1.149 20.804 18.219 1.00 0.00 O ATOM 1851 CB SER A 120 1.552 20.939 18.012 1.00 0.00 C ATOM 1852 OG SER A 120 1.821 22.276 18.400 1.00 0.00 O ATOM 0 H SER A 120 0.796 18.046 19.142 1.00 0.00 H new ATOM 0 HA SER A 120 1.224 20.620 20.111 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.472 20.463 17.673 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.861 20.934 17.169 1.00 0.00 H new ATOM 0 HG SER A 120 2.203 22.766 17.642 1.00 0.00 H new ATOM 1858 N VAL A 121 -1.209 19.317 19.905 1.00 0.00 N ATOM 1859 CA VAL A 121 -2.663 19.206 19.898 1.00 0.00 C ATOM 1860 C VAL A 121 -3.171 18.605 21.209 1.00 0.00 C ATOM 1861 O VAL A 121 -3.593 19.328 22.111 1.00 0.00 O ATOM 1862 CB VAL A 121 -3.162 18.365 18.693 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -2.191 17.236 18.367 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -4.565 17.821 18.937 1.00 0.00 C ATOM 0 H VAL A 121 -0.745 18.738 20.605 1.00 0.00 H new ATOM 0 HA VAL A 121 -3.066 20.214 19.797 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.208 19.029 17.830 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.568 16.665 17.519 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.216 17.655 18.118 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.093 16.579 19.231 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.884 17.237 18.074 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.560 17.186 19.823 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.256 18.651 19.089 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.129 17.283 21.307 1.00 0.00 N ATOM 1875 CA ALA A 122 -3.587 16.590 22.506 1.00 0.00 C ATOM 1876 C ALA A 122 -2.948 15.210 22.623 1.00 0.00 C ATOM 1877 O ALA A 122 -1.972 14.907 21.935 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.105 16.475 22.499 1.00 0.00 C ATOM 0 H ALA A 122 -2.782 16.668 20.571 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.281 17.175 23.374 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.435 15.956 23.399 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.545 17.472 22.473 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.423 15.915 21.620 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.504 14.376 23.496 1.00 0.00 N ATOM 1885 CA GLN A 123 -2.989 13.029 23.703 1.00 0.00 C ATOM 1886 C GLN A 123 -3.566 12.060 22.674 1.00 0.00 C ATOM 1887 O GLN A 123 -4.181 11.053 23.029 1.00 0.00 O ATOM 1888 CB GLN A 123 -3.316 12.546 25.118 1.00 0.00 C ATOM 1889 CG GLN A 123 -4.792 12.639 25.466 1.00 0.00 C ATOM 1890 CD GLN A 123 -5.136 11.902 26.745 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -5.373 12.517 27.785 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -5.164 10.576 26.676 1.00 0.00 N ATOM 0 H GLN A 123 -4.313 14.611 24.072 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.906 13.058 23.579 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -2.991 11.511 25.224 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.744 13.135 25.835 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -5.072 13.687 25.568 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.382 12.230 24.645 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -4.961 10.107 25.793 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -5.388 10.027 27.506 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.365 12.371 21.398 1.00 0.00 N ATOM 1902 CA TRP A 124 -3.865 11.528 20.318 1.00 0.00 C ATOM 1903 C TRP A 124 -2.736 10.719 19.692 1.00 0.00 C ATOM 1904 O TRP A 124 -1.588 11.163 19.651 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.548 12.384 19.250 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.823 13.016 19.720 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -6.133 14.345 19.706 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.960 12.344 20.274 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -7.393 14.541 20.218 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -7.921 13.328 20.573 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.260 11.006 20.546 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -9.158 13.016 21.130 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.489 10.697 21.099 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -9.425 11.698 21.385 1.00 0.00 C ATOM 0 H TRP A 124 -2.860 13.200 21.086 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.593 10.835 20.739 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.861 13.166 18.927 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.758 11.765 18.378 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.483 15.128 19.345 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.859 15.443 20.317 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -6.544 10.227 20.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.881 13.786 21.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.731 9.667 21.314 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -10.377 11.425 21.816 1.00 0.00 H new ATOM 1925 N SER A 125 -3.068 9.528 19.205 1.00 0.00 N ATOM 1926 CA SER A 125 -2.080 8.655 18.580 1.00 0.00 C ATOM 1927 C SER A 125 -2.741 7.727 17.567 1.00 0.00 C ATOM 1928 O SER A 125 -3.664 6.985 17.899 1.00 0.00 O ATOM 1929 CB SER A 125 -1.351 7.833 19.644 1.00 0.00 C ATOM 1930 OG SER A 125 -0.377 8.614 20.313 1.00 0.00 O ATOM 0 H SER A 125 -4.013 9.145 19.231 1.00 0.00 H new ATOM 0 HA SER A 125 -1.357 9.280 18.056 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.071 7.447 20.366 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.873 6.971 19.178 1.00 0.00 H new ATOM 0 HG SER A 125 -0.541 9.564 20.135 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.262 7.775 16.328 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.806 6.938 15.266 1.00 0.00 C ATOM 1938 C LEU A 126 -1.888 5.754 14.979 1.00 0.00 C ATOM 1939 O LEU A 126 -0.688 5.806 15.249 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.009 7.761 13.993 1.00 0.00 C ATOM 1941 CG LEU A 126 -3.952 7.137 12.962 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.386 7.161 13.467 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.841 7.866 11.631 1.00 0.00 C ATOM 0 H LEU A 126 -1.498 8.385 16.035 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.770 6.553 15.600 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.396 8.742 14.270 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.038 7.922 13.524 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.660 6.098 12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.042 6.713 12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.454 6.595 14.396 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.691 8.192 13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.518 7.410 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.108 8.914 11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.817 7.797 11.263 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.461 4.688 14.430 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.695 3.490 14.106 1.00 0.00 C ATOM 1957 C ASP A 127 -2.000 3.018 12.688 1.00 0.00 C ATOM 1958 O ASP A 127 -3.160 2.955 12.280 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.004 2.375 15.107 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.090 2.415 16.316 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -1.199 3.372 17.111 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -0.266 1.489 16.467 1.00 0.00 O ATOM 0 H ASP A 127 -3.453 4.629 14.200 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.635 3.738 14.167 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.040 2.461 15.435 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.906 1.409 14.612 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.953 2.687 11.942 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.108 2.219 10.570 1.00 0.00 C ATOM 1969 C VAL A 128 0.042 1.302 10.170 1.00 0.00 C ATOM 1970 O VAL A 128 1.111 1.330 10.778 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.177 3.399 9.581 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.513 2.905 8.182 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.194 4.429 10.049 1.00 0.00 C ATOM 0 H VAL A 128 0.014 2.734 12.264 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.044 1.662 10.528 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.198 3.878 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.557 3.752 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.744 2.208 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.479 2.400 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.229 5.255 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.178 3.965 10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.905 4.806 11.030 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.185 0.488 9.144 1.00 0.00 N ATOM 1984 CA ALA A 129 0.835 -0.438 8.666 1.00 0.00 C ATOM 1985 C ALA A 129 0.564 -0.860 7.226 1.00 0.00 C ATOM 1986 O ALA A 129 -0.460 -1.477 6.931 1.00 0.00 O ATOM 1987 CB ALA A 129 0.905 -1.659 9.570 1.00 0.00 C ATOM 0 H ALA A 129 -1.064 0.451 8.629 1.00 0.00 H new ATOM 0 HA ALA A 129 1.796 0.076 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.671 -2.341 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.155 -1.347 10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.061 -2.165 9.574 1.00 0.00 H new ATOM 1993 N ALA A 130 1.489 -0.526 6.332 1.00 0.00 N ATOM 1994 CA ALA A 130 1.351 -0.872 4.923 1.00 0.00 C ATOM 1995 C ALA A 130 1.779 -2.315 4.674 1.00 0.00 C ATOM 1996 O ALA A 130 2.812 -2.761 5.172 1.00 0.00 O ATOM 1997 CB ALA A 130 2.169 0.082 4.064 1.00 0.00 C ATOM 0 H ALA A 130 2.343 -0.016 6.559 1.00 0.00 H new ATOM 0 HA ALA A 130 0.301 -0.778 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.057 -0.187 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.816 1.102 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.220 0.015 4.346 1.00 0.00 H new ATOM 2003 N ASP A 131 0.978 -3.041 3.899 1.00 0.00 N ATOM 2004 CA ASP A 131 1.275 -4.436 3.583 1.00 0.00 C ATOM 2005 C ASP A 131 2.673 -4.573 2.987 1.00 0.00 C ATOM 2006 O ASP A 131 3.364 -5.565 3.218 1.00 0.00 O ATOM 2007 CB ASP A 131 0.234 -4.994 2.611 1.00 0.00 C ATOM 2008 CG ASP A 131 -0.130 -6.433 2.917 1.00 0.00 C ATOM 2009 OD1 ASP A 131 0.791 -7.236 3.181 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -1.335 -6.759 2.894 1.00 0.00 O ATOM 0 H ASP A 131 0.119 -2.687 3.478 1.00 0.00 H new ATOM 0 HA ASP A 131 1.238 -5.009 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.664 -4.378 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.619 -4.928 1.593 1.00 0.00 H new ATOM 2015 N SER A 132 3.081 -3.567 2.223 1.00 0.00 N ATOM 2016 CA SER A 132 4.396 -3.565 1.594 1.00 0.00 C ATOM 2017 C SER A 132 5.390 -2.769 2.426 1.00 0.00 C ATOM 2018 O SER A 132 5.270 -1.552 2.559 1.00 0.00 O ATOM 2019 CB SER A 132 4.308 -2.982 0.182 1.00 0.00 C ATOM 2020 OG SER A 132 4.232 -4.009 -0.791 1.00 0.00 O ATOM 0 H SER A 132 2.518 -2.740 2.024 1.00 0.00 H new ATOM 0 HA SER A 132 4.745 -4.596 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.432 -2.339 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.180 -2.357 -0.012 1.00 0.00 H new ATOM 0 HG SER A 132 4.175 -3.610 -1.684 1.00 0.00 H new ATOM 2026 N GLN A 133 6.379 -3.464 2.982 1.00 0.00 N ATOM 2027 CA GLN A 133 7.402 -2.820 3.798 1.00 0.00 C ATOM 2028 C GLN A 133 7.950 -1.585 3.090 1.00 0.00 C ATOM 2029 O GLN A 133 8.391 -0.630 3.733 1.00 0.00 O ATOM 2030 CB GLN A 133 8.540 -3.798 4.098 1.00 0.00 C ATOM 2031 CG GLN A 133 9.602 -3.230 5.023 1.00 0.00 C ATOM 2032 CD GLN A 133 10.997 -3.711 4.675 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.876 -2.915 4.345 1.00 0.00 O ATOM 2034 NE2 GLN A 133 11.206 -5.020 4.744 1.00 0.00 N ATOM 0 H GLN A 133 6.493 -4.473 2.882 1.00 0.00 H new ATOM 0 HA GLN A 133 6.946 -2.512 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.124 -4.700 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.009 -4.096 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.575 -2.141 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.371 -3.510 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.448 -5.643 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 133 12.124 -5.402 4.519 1.00 0.00 H new ATOM 2043 N GLU A 134 7.904 -1.606 1.761 1.00 0.00 N ATOM 2044 CA GLU A 134 8.382 -0.484 0.967 1.00 0.00 C ATOM 2045 C GLU A 134 7.367 0.649 0.990 1.00 0.00 C ATOM 2046 O GLU A 134 7.722 1.814 1.166 1.00 0.00 O ATOM 2047 CB GLU A 134 8.650 -0.921 -0.475 1.00 0.00 C ATOM 2048 CG GLU A 134 9.765 -1.946 -0.602 1.00 0.00 C ATOM 2049 CD GLU A 134 10.226 -2.130 -2.035 1.00 0.00 C ATOM 2050 OE1 GLU A 134 9.390 -1.986 -2.950 1.00 0.00 O ATOM 2051 OE2 GLU A 134 11.424 -2.419 -2.241 1.00 0.00 O ATOM 0 H GLU A 134 7.541 -2.387 1.214 1.00 0.00 H new ATOM 0 HA GLU A 134 9.316 -0.129 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 134 7.735 -1.338 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.904 -0.044 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.611 -1.635 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.421 -2.903 -0.209 1.00 0.00 H new ATOM 2058 N GLU A 135 6.099 0.293 0.826 1.00 0.00 N ATOM 2059 CA GLU A 135 5.025 1.275 0.844 1.00 0.00 C ATOM 2060 C GLU A 135 4.912 1.899 2.230 1.00 0.00 C ATOM 2061 O GLU A 135 4.554 3.068 2.370 1.00 0.00 O ATOM 2062 CB GLU A 135 3.698 0.623 0.447 1.00 0.00 C ATOM 2063 CG GLU A 135 3.241 0.982 -0.958 1.00 0.00 C ATOM 2064 CD GLU A 135 2.081 0.128 -1.430 1.00 0.00 C ATOM 2065 OE1 GLU A 135 2.144 -1.107 -1.256 1.00 0.00 O ATOM 2066 OE2 GLU A 135 1.111 0.694 -1.974 1.00 0.00 O ATOM 0 H GLU A 135 5.790 -0.668 0.679 1.00 0.00 H new ATOM 0 HA GLU A 135 5.255 2.058 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.798 -0.460 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.928 0.922 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.949 2.032 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.077 0.867 -1.648 1.00 0.00 H new ATOM 2073 N LEU A 136 5.230 1.109 3.252 1.00 0.00 N ATOM 2074 CA LEU A 136 5.176 1.578 4.630 1.00 0.00 C ATOM 2075 C LEU A 136 6.250 2.629 4.873 1.00 0.00 C ATOM 2076 O LEU A 136 5.969 3.716 5.381 1.00 0.00 O ATOM 2077 CB LEU A 136 5.358 0.408 5.599 1.00 0.00 C ATOM 2078 CG LEU A 136 5.458 0.796 7.076 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.927 -0.323 7.958 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.896 1.130 7.441 1.00 0.00 C ATOM 0 H LEU A 136 5.528 0.139 3.149 1.00 0.00 H new ATOM 0 HA LEU A 136 4.198 2.028 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.521 -0.279 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.260 -0.137 5.321 1.00 0.00 H new ATOM 0 HG LEU A 136 4.846 1.683 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.006 -0.030 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.882 -0.515 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.511 -1.227 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.950 1.404 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.529 0.261 7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.242 1.965 6.831 1.00 0.00 H new ATOM 2092 N GLN A 137 7.479 2.301 4.499 1.00 0.00 N ATOM 2093 CA GLN A 137 8.597 3.219 4.668 1.00 0.00 C ATOM 2094 C GLN A 137 8.420 4.437 3.770 1.00 0.00 C ATOM 2095 O GLN A 137 8.746 5.561 4.154 1.00 0.00 O ATOM 2096 CB GLN A 137 9.920 2.517 4.352 1.00 0.00 C ATOM 2097 CG GLN A 137 10.998 2.753 5.396 1.00 0.00 C ATOM 2098 CD GLN A 137 10.626 2.189 6.754 1.00 0.00 C ATOM 2099 OE1 GLN A 137 10.690 2.884 7.767 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.234 0.920 6.779 1.00 0.00 N ATOM 0 H GLN A 137 7.727 1.406 4.077 1.00 0.00 H new ATOM 0 HA GLN A 137 8.619 3.549 5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.741 1.446 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.282 2.862 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.930 2.298 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.181 3.824 5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.196 0.381 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.971 0.485 7.663 1.00 0.00 H new ATOM 2109 N ASP A 138 7.890 4.204 2.575 1.00 0.00 N ATOM 2110 CA ASP A 138 7.656 5.277 1.621 1.00 0.00 C ATOM 2111 C ASP A 138 6.516 6.170 2.095 1.00 0.00 C ATOM 2112 O ASP A 138 6.503 7.372 1.828 1.00 0.00 O ATOM 2113 CB ASP A 138 7.331 4.703 0.241 1.00 0.00 C ATOM 2114 CG ASP A 138 7.701 5.653 -0.882 1.00 0.00 C ATOM 2115 OD1 ASP A 138 8.682 6.410 -0.720 1.00 0.00 O ATOM 2116 OD2 ASP A 138 7.010 5.641 -1.921 1.00 0.00 O ATOM 0 H ASP A 138 7.614 3.279 2.245 1.00 0.00 H new ATOM 0 HA ASP A 138 8.564 5.875 1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.864 3.762 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.266 4.477 0.186 1.00 0.00 H new ATOM 2121 N TRP A 139 5.560 5.575 2.803 1.00 0.00 N ATOM 2122 CA TRP A 139 4.418 6.320 3.317 1.00 0.00 C ATOM 2123 C TRP A 139 4.860 7.301 4.395 1.00 0.00 C ATOM 2124 O TRP A 139 4.418 8.449 4.425 1.00 0.00 O ATOM 2125 CB TRP A 139 3.357 5.368 3.875 1.00 0.00 C ATOM 2126 CG TRP A 139 2.155 5.252 2.990 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.131 4.795 1.706 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.806 5.606 3.317 1.00 0.00 C ATOM 2129 NE1 TRP A 139 0.850 4.840 1.212 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.018 5.335 2.182 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.186 6.125 4.458 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.355 5.565 2.156 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.177 6.353 4.430 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.934 6.073 3.286 1.00 0.00 C ATOM 0 H TRP A 139 5.555 4.581 3.033 1.00 0.00 H new ATOM 0 HA TRP A 139 3.981 6.881 2.491 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.798 4.381 4.012 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.045 5.717 4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 139 2.994 4.448 1.157 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.565 4.552 0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.762 6.344 5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.942 5.350 1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.666 6.754 5.305 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.997 6.262 3.296 1.00 0.00 H new ATOM 2145 N VAL A 140 5.737 6.839 5.278 1.00 0.00 N ATOM 2146 CA VAL A 140 6.243 7.676 6.358 1.00 0.00 C ATOM 2147 C VAL A 140 7.066 8.833 5.807 1.00 0.00 C ATOM 2148 O VAL A 140 6.927 9.977 6.245 1.00 0.00 O ATOM 2149 CB VAL A 140 7.108 6.867 7.344 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.492 7.720 8.543 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.375 5.608 7.786 1.00 0.00 C ATOM 0 H VAL A 140 6.112 5.890 5.267 1.00 0.00 H new ATOM 0 HA VAL A 140 5.376 8.067 6.890 1.00 0.00 H new ATOM 0 HB VAL A 140 8.024 6.567 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.102 7.131 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.059 8.588 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.590 8.053 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.000 5.048 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.442 5.884 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.158 4.989 6.916 1.00 0.00 H new ATOM 2161 N LYS A 141 7.924 8.527 4.842 1.00 0.00 N ATOM 2162 CA LYS A 141 8.772 9.540 4.225 1.00 0.00 C ATOM 2163 C LYS A 141 7.932 10.579 3.493 1.00 0.00 C ATOM 2164 O LYS A 141 8.287 11.757 3.447 1.00 0.00 O ATOM 2165 CB LYS A 141 9.760 8.888 3.255 1.00 0.00 C ATOM 2166 CG LYS A 141 10.792 9.856 2.698 1.00 0.00 C ATOM 2167 CD LYS A 141 11.233 9.455 1.300 1.00 0.00 C ATOM 2168 CE LYS A 141 12.452 8.548 1.341 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.669 9.274 1.801 1.00 0.00 N ATOM 0 H LYS A 141 8.051 7.586 4.470 1.00 0.00 H new ATOM 0 HA LYS A 141 9.330 10.042 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 141 10.275 8.075 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.206 8.445 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.373 10.862 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.658 9.887 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.415 8.945 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.462 10.348 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.257 7.708 2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.630 8.134 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.518 8.789 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.650 10.248 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.690 9.292 2.841 1.00 0.00 H new ATOM 2183 N LYS A 142 6.814 10.139 2.924 1.00 0.00 N ATOM 2184 CA LYS A 142 5.927 11.042 2.201 1.00 0.00 C ATOM 2185 C LYS A 142 5.269 12.022 3.158 1.00 0.00 C ATOM 2186 O LYS A 142 5.292 13.232 2.931 1.00 0.00 O ATOM 2187 CB LYS A 142 4.862 10.252 1.437 1.00 0.00 C ATOM 2188 CG LYS A 142 5.362 9.669 0.125 1.00 0.00 C ATOM 2189 CD LYS A 142 5.013 10.564 -1.052 1.00 0.00 C ATOM 2190 CE LYS A 142 5.838 10.216 -2.280 1.00 0.00 C ATOM 2191 NZ LYS A 142 5.855 11.327 -3.271 1.00 0.00 N ATOM 0 H LYS A 142 6.502 9.168 2.949 1.00 0.00 H new ATOM 0 HA LYS A 142 6.524 11.605 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 142 4.498 9.442 2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.013 10.905 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 142 6.443 9.535 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 142 4.925 8.682 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 142 3.953 10.464 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 142 5.183 11.606 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.859 9.984 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 142 5.432 9.319 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 6.469 11.070 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 4.889 11.498 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 6.218 12.190 -2.819 1.00 0.00 H new ATOM 2205 N ILE A 143 4.704 11.502 4.243 1.00 0.00 N ATOM 2206 CA ILE A 143 4.068 12.352 5.240 1.00 0.00 C ATOM 2207 C ILE A 143 5.053 13.413 5.706 1.00 0.00 C ATOM 2208 O ILE A 143 4.693 14.570 5.923 1.00 0.00 O ATOM 2209 CB ILE A 143 3.585 11.534 6.456 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.641 10.421 6.002 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.896 12.437 7.471 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.548 9.271 6.980 1.00 0.00 C ATOM 0 H ILE A 143 4.674 10.504 4.452 1.00 0.00 H new ATOM 0 HA ILE A 143 3.199 12.821 4.778 1.00 0.00 H new ATOM 0 HB ILE A 143 4.453 11.082 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.646 10.839 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.978 10.041 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.563 11.841 8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.596 13.199 7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.036 12.918 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.861 8.519 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.534 8.827 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 143 2.182 9.638 7.939 1.00 0.00 H new ATOM 2224 N ARG A 144 6.309 13.001 5.833 1.00 0.00 N ATOM 2225 CA ARG A 144 7.372 13.902 6.251 1.00 0.00 C ATOM 2226 C ARG A 144 7.809 14.788 5.088 1.00 0.00 C ATOM 2227 O ARG A 144 8.280 15.907 5.293 1.00 0.00 O ATOM 2228 CB ARG A 144 8.567 13.106 6.781 1.00 0.00 C ATOM 2229 CG ARG A 144 8.385 12.619 8.210 1.00 0.00 C ATOM 2230 CD ARG A 144 9.228 11.384 8.487 1.00 0.00 C ATOM 2231 NE ARG A 144 9.317 11.093 9.917 1.00 0.00 N ATOM 2232 CZ ARG A 144 9.995 10.065 10.423 1.00 0.00 C ATOM 2233 NH1 ARG A 144 10.644 9.229 9.621 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.025 9.873 11.735 1.00 0.00 N ATOM 0 H ARG A 144 6.615 12.045 5.651 1.00 0.00 H new ATOM 0 HA ARG A 144 6.990 14.537 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.738 12.247 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.460 13.728 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.661 13.413 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.334 12.391 8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.798 10.527 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 144 10.230 11.531 8.083 1.00 0.00 H new ATOM 0 HE ARG A 144 8.831 11.714 10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.625 9.373 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.162 8.443 10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 144 9.529 10.513 12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.544 9.086 12.123 1.00 0.00 H new ATOM 2248 N GLU A 145 7.647 14.287 3.862 1.00 0.00 N ATOM 2249 CA GLU A 145 8.023 15.046 2.676 1.00 0.00 C ATOM 2250 C GLU A 145 7.006 16.145 2.395 1.00 0.00 C ATOM 2251 O GLU A 145 7.357 17.222 1.911 1.00 0.00 O ATOM 2252 CB GLU A 145 8.146 14.121 1.465 1.00 0.00 C ATOM 2253 CG GLU A 145 8.815 14.771 0.266 1.00 0.00 C ATOM 2254 CD GLU A 145 10.328 14.725 0.346 1.00 0.00 C ATOM 2255 OE1 GLU A 145 10.879 15.110 1.398 1.00 0.00 O ATOM 2256 OE2 GLU A 145 10.962 14.303 -0.644 1.00 0.00 O ATOM 0 H GLU A 145 7.260 13.363 3.669 1.00 0.00 H new ATOM 0 HA GLU A 145 8.992 15.510 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.714 13.236 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.151 13.782 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.488 14.269 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 145 8.490 15.809 0.192 1.00 0.00 H new ATOM 2263 N VAL A 146 5.745 15.872 2.712 1.00 0.00 N ATOM 2264 CA VAL A 146 4.681 16.843 2.504 1.00 0.00 C ATOM 2265 C VAL A 146 4.682 17.872 3.626 1.00 0.00 C ATOM 2266 O VAL A 146 4.387 19.048 3.410 1.00 0.00 O ATOM 2267 CB VAL A 146 3.299 16.164 2.431 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.990 15.432 3.729 1.00 0.00 C ATOM 2269 CG2 VAL A 146 2.214 17.184 2.114 1.00 0.00 C ATOM 0 H VAL A 146 5.436 14.987 3.114 1.00 0.00 H new ATOM 0 HA VAL A 146 4.870 17.337 1.551 1.00 0.00 H new ATOM 0 HB VAL A 146 3.321 15.431 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.010 14.960 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.748 14.669 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.990 16.142 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.247 16.684 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 146 2.191 17.945 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.426 17.654 1.154 1.00 0.00 H new ATOM 2279 N ALA A 147 5.030 17.418 4.825 1.00 0.00 N ATOM 2280 CA ALA A 147 5.088 18.292 5.986 1.00 0.00 C ATOM 2281 C ALA A 147 6.277 19.239 5.884 1.00 0.00 C ATOM 2282 O ALA A 147 6.210 20.389 6.316 1.00 0.00 O ATOM 2283 CB ALA A 147 5.176 17.467 7.259 1.00 0.00 C ATOM 0 H ALA A 147 5.276 16.447 5.016 1.00 0.00 H new ATOM 0 HA ALA A 147 4.176 18.888 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.219 18.132 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.298 16.826 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.074 16.850 7.231 1.00 0.00 H new ATOM 2289 N GLN A 148 7.366 18.746 5.300 1.00 0.00 N ATOM 2290 CA GLN A 148 8.572 19.546 5.131 1.00 0.00 C ATOM 2291 C GLN A 148 8.398 20.565 4.005 1.00 0.00 C ATOM 2292 O GLN A 148 9.224 21.461 3.836 1.00 0.00 O ATOM 2293 CB GLN A 148 9.771 18.644 4.834 1.00 0.00 C ATOM 2294 CG GLN A 148 11.111 19.344 4.981 1.00 0.00 C ATOM 2295 CD GLN A 148 12.224 18.634 4.235 1.00 0.00 C ATOM 2296 OE1 GLN A 148 13.235 18.250 4.823 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.044 18.457 2.931 1.00 0.00 N ATOM 0 H GLN A 148 7.436 17.796 4.936 1.00 0.00 H new ATOM 0 HA GLN A 148 8.752 20.085 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.744 17.785 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.682 18.258 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.025 20.366 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.370 19.407 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.190 18.791 2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.759 17.987 2.377 1.00 0.00 H new ATOM 2306 N THR A 149 7.319 20.423 3.238 1.00 0.00 N ATOM 2307 CA THR A 149 7.043 21.333 2.132 1.00 0.00 C ATOM 2308 C THR A 149 5.642 21.929 2.247 1.00 0.00 C ATOM 2309 O THR A 149 5.073 22.394 1.259 1.00 0.00 O ATOM 2310 CB THR A 149 7.189 20.603 0.797 1.00 0.00 C ATOM 2311 OG1 THR A 149 7.024 21.502 -0.287 1.00 0.00 O ATOM 2312 CG2 THR A 149 6.193 19.479 0.616 1.00 0.00 C ATOM 0 H THR A 149 6.624 19.687 3.363 1.00 0.00 H new ATOM 0 HA THR A 149 7.767 22.147 2.178 1.00 0.00 H new ATOM 0 HB THR A 149 8.193 20.178 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.290 22.121 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 149 6.352 19.004 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 149 6.327 18.743 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 149 5.180 19.880 0.661 1.00 0.00 H new ATOM 2320 N ALA A 150 5.090 21.915 3.459 1.00 0.00 N ATOM 2321 CA ALA A 150 3.757 22.455 3.697 1.00 0.00 C ATOM 2322 C ALA A 150 2.715 21.752 2.833 1.00 0.00 C ATOM 2323 O ALA A 150 2.181 20.714 3.280 1.00 0.00 O ATOM 2324 CB ALA A 150 3.742 23.953 3.431 1.00 0.00 C ATOM 2325 OXT ALA A 150 2.442 22.244 1.718 1.00 0.00 O ATOM 0 H ALA A 150 5.546 21.536 4.289 1.00 0.00 H new ATOM 0 HA ALA A 150 3.501 22.278 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.741 24.345 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.451 24.448 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 150 4.023 24.141 2.395 1.00 0.00 H new