USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 935 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 116 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 117 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0.13) USER MOD Set 2.1: A 28 THR OG1 : rot -16:sc= 0.824 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -6.62! C(o=-12!,f=-6.6!) USER MOD Single : A 1 ASN N :NH3+ -111:sc= 0.0596 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0057 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= -0.0511 (180deg=-0.34) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 27 THR OG1 : rot -140:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc=-0.00871 (180deg=-0.152) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0957 USER MOD Single : A 37 TYR OH : rot 32:sc= -0.816! USER MOD Single : A 40 SER OG : rot -22:sc= 0.212 USER MOD Single : A 41 HIS :FLIP no HE2:sc= -1.01 F(o=-2.1,f=-1) USER MOD Single : A 42 SER OG : rot -16:sc= 0.476 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -5.65 K(o=-5.6,f=-8!) USER MOD Single : A 50 SER OG : rot -61:sc= 0.191 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= -1.46 (180deg=-3.3!) USER MOD Single : A 67 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.14) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.269 F(o=-3!,f=-0.27) USER MOD Single : A 75 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.018) USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.112 (180deg=-3.44!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 21:sc= 0.0414 USER MOD Single : A 86 SER OG : rot 101:sc= -0.0282 USER MOD Single : A 87 GLN :FLIP amide:sc= -2.7 F(o=-8.8!,f=-2.7) USER MOD Single : A 91 SER OG : rot -65:sc= -0.155 USER MOD Single : A 93 SER OG : rot 180:sc= 0.00918 USER MOD Single : A 101 SER OG : rot -87:sc= 1.06 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 137:sc= 1.25 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.557 -0.085 -2.062 1.00 0.00 N ATOM 21 CA ASN A 1 31.193 0.437 -2.036 1.00 0.00 C ATOM 22 C ASN A 1 30.298 -0.281 -3.041 1.00 0.00 C ATOM 23 O ASN A 1 30.783 -0.928 -3.971 1.00 0.00 O ATOM 24 CB ASN A 1 31.195 1.941 -2.308 1.00 0.00 C ATOM 25 CG ASN A 1 31.646 2.733 -1.100 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.697 3.058 -0.232 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.827 3.047 -0.947 1.00 0.00 N flip ATOM 0 H1 ASN A 1 32.750 -0.597 -1.178 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.665 -0.733 -2.868 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.229 0.703 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 1 30.787 0.255 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.853 2.157 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.193 2.259 -2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.521 2.774 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.111 3.580 -0.125 1.00 0.00 H new ATOM 34 N CYS A 2 28.986 -0.166 -2.846 1.00 0.00 N ATOM 35 CA CYS A 2 28.023 -0.814 -3.730 1.00 0.00 C ATOM 36 C CYS A 2 27.611 0.089 -4.888 1.00 0.00 C ATOM 37 O CYS A 2 26.842 -0.325 -5.756 1.00 0.00 O ATOM 38 CB CYS A 2 26.784 -1.244 -2.943 1.00 0.00 C ATOM 39 SG CYS A 2 27.074 -2.639 -1.809 1.00 0.00 S ATOM 0 H CYS A 2 28.567 0.369 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 2 28.512 -1.693 -4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.417 -0.393 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.997 -1.518 -3.646 1.00 0.00 H new ATOM 44 N GLY A 3 28.115 1.321 -4.909 1.00 0.00 N ATOM 45 CA GLY A 3 27.766 2.253 -5.965 1.00 0.00 C ATOM 46 C GLY A 3 26.592 3.136 -5.577 1.00 0.00 C ATOM 47 O GLY A 3 25.832 2.785 -4.675 1.00 0.00 O ATOM 0 H GLY A 3 28.761 1.690 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.629 2.878 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.520 1.699 -6.871 1.00 0.00 H new ATOM 51 N PRO A 4 26.418 4.295 -6.238 1.00 0.00 N ATOM 52 CA PRO A 4 25.317 5.219 -5.940 1.00 0.00 C ATOM 53 C PRO A 4 23.972 4.503 -5.816 1.00 0.00 C ATOM 54 O PRO A 4 23.623 3.675 -6.657 1.00 0.00 O ATOM 55 CB PRO A 4 25.325 6.162 -7.141 1.00 0.00 C ATOM 56 CG PRO A 4 26.751 6.189 -7.571 1.00 0.00 C ATOM 57 CD PRO A 4 27.279 4.800 -7.328 1.00 0.00 C ATOM 0 HA PRO A 4 25.448 5.725 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.675 5.799 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.971 7.157 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.837 6.462 -8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.317 6.927 -7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.204 4.179 -8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.329 4.814 -7.037 1.00 0.00 H new ATOM 65 N PRO A 5 23.201 4.818 -4.758 1.00 0.00 N ATOM 66 CA PRO A 5 21.894 4.195 -4.511 1.00 0.00 C ATOM 67 C PRO A 5 20.947 4.288 -5.705 1.00 0.00 C ATOM 68 O PRO A 5 20.515 5.376 -6.086 1.00 0.00 O ATOM 69 CB PRO A 5 21.336 4.988 -3.329 1.00 0.00 C ATOM 70 CG PRO A 5 22.540 5.517 -2.633 1.00 0.00 C ATOM 71 CD PRO A 5 23.540 5.803 -3.715 1.00 0.00 C ATOM 0 HA PRO A 5 21.996 3.126 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.685 5.795 -3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.743 4.354 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.302 6.420 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.931 4.791 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.453 6.825 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.563 5.678 -3.361 1.00 0.00 H new ATOM 79 N PRO A 6 20.618 3.134 -6.308 1.00 0.00 N ATOM 80 CA PRO A 6 19.702 3.061 -7.452 1.00 0.00 C ATOM 81 C PRO A 6 18.305 3.535 -7.086 1.00 0.00 C ATOM 82 O PRO A 6 18.030 3.968 -5.966 1.00 0.00 O ATOM 83 CB PRO A 6 19.661 1.565 -7.791 1.00 0.00 C ATOM 84 CG PRO A 6 20.155 0.868 -6.569 1.00 0.00 C ATOM 85 CD PRO A 6 21.122 1.809 -5.920 1.00 0.00 C ATOM 0 HA PRO A 6 20.033 3.693 -8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.649 1.247 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.290 1.340 -8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.331 0.629 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.640 -0.074 -6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.137 1.686 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.140 1.647 -6.274 1.00 0.00 H new ATOM 93 N THR A 7 17.435 3.432 -8.086 1.00 0.00 N ATOM 94 CA THR A 7 16.043 3.823 -7.964 1.00 0.00 C ATOM 95 C THR A 7 15.178 2.595 -7.720 1.00 0.00 C ATOM 96 O THR A 7 15.305 1.588 -8.417 1.00 0.00 O ATOM 97 CB THR A 7 15.560 4.546 -9.235 1.00 0.00 C ATOM 98 OG1 THR A 7 14.213 5.002 -9.060 1.00 0.00 O ATOM 99 CG2 THR A 7 15.636 3.631 -10.449 1.00 0.00 C ATOM 0 H THR A 7 17.682 3.072 -9.008 1.00 0.00 H new ATOM 0 HA THR A 7 15.956 4.507 -7.120 1.00 0.00 H new ATOM 0 HB THR A 7 16.215 5.401 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.915 5.462 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.289 4.168 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.667 3.312 -10.600 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.006 2.756 -10.285 1.00 0.00 H new ATOM 107 N LEU A 8 14.308 2.669 -6.726 1.00 0.00 N ATOM 108 CA LEU A 8 13.433 1.554 -6.412 1.00 0.00 C ATOM 109 C LEU A 8 11.970 1.913 -6.630 1.00 0.00 C ATOM 110 O LEU A 8 11.647 2.969 -7.175 1.00 0.00 O ATOM 111 CB LEU A 8 13.654 1.110 -4.966 1.00 0.00 C ATOM 112 CG LEU A 8 15.111 0.821 -4.603 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.859 2.112 -4.311 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.186 -0.118 -3.410 1.00 0.00 C ATOM 0 H LEU A 8 14.190 3.485 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 8 13.679 0.734 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.275 1.885 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.063 0.213 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 8 15.586 0.336 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.894 1.883 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.837 2.753 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.384 2.627 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.230 -0.313 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.692 0.342 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.689 -1.057 -3.654 1.00 0.00 H new ATOM 126 N SER A 9 11.095 1.017 -6.197 1.00 0.00 N ATOM 127 CA SER A 9 9.661 1.226 -6.332 1.00 0.00 C ATOM 128 C SER A 9 8.944 0.879 -5.038 1.00 0.00 C ATOM 129 O SER A 9 7.987 1.547 -4.651 1.00 0.00 O ATOM 130 CB SER A 9 9.107 0.380 -7.479 1.00 0.00 C ATOM 131 OG SER A 9 9.711 0.731 -8.712 1.00 0.00 O ATOM 0 H SER A 9 11.353 0.138 -5.749 1.00 0.00 H new ATOM 0 HA SER A 9 9.489 2.279 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.282 -0.676 -7.273 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.028 0.517 -7.547 1.00 0.00 H new ATOM 0 HG SER A 9 9.340 0.174 -9.428 1.00 0.00 H new ATOM 137 N PHE A 10 9.416 -0.168 -4.369 1.00 0.00 N ATOM 138 CA PHE A 10 8.808 -0.596 -3.120 1.00 0.00 C ATOM 139 C PHE A 10 9.111 0.395 -2.005 1.00 0.00 C ATOM 140 O PHE A 10 8.467 0.380 -0.957 1.00 0.00 O ATOM 141 CB PHE A 10 9.275 -1.999 -2.736 1.00 0.00 C ATOM 142 CG PHE A 10 9.490 -2.906 -3.914 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.414 -3.509 -4.547 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.767 -3.156 -4.389 1.00 0.00 C ATOM 145 CE1 PHE A 10 8.609 -4.344 -5.631 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.968 -3.989 -5.473 1.00 0.00 C ATOM 147 CZ PHE A 10 9.887 -4.584 -6.095 1.00 0.00 C ATOM 0 H PHE A 10 10.212 -0.730 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 10 7.728 -0.628 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.205 -1.922 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.537 -2.449 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.412 -3.324 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.616 -2.694 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.762 -4.808 -6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.969 -4.175 -5.834 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.042 -5.235 -6.942 1.00 0.00 H new ATOM 157 N ALA A 11 10.096 1.255 -2.241 1.00 0.00 N ATOM 158 CA ALA A 11 10.471 2.257 -1.255 1.00 0.00 C ATOM 159 C ALA A 11 11.057 3.509 -1.905 1.00 0.00 C ATOM 160 O ALA A 11 11.558 3.484 -3.030 1.00 0.00 O ATOM 161 CB ALA A 11 11.474 1.662 -0.279 1.00 0.00 C ATOM 0 H ALA A 11 10.645 1.277 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 11 9.567 2.557 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.754 2.414 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.026 0.807 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.362 1.338 -0.822 1.00 0.00 H new ATOM 167 N ALA A 12 10.970 4.600 -1.150 1.00 0.00 N ATOM 168 CA ALA A 12 11.528 5.878 -1.585 1.00 0.00 C ATOM 169 C ALA A 12 12.395 6.492 -0.486 1.00 0.00 C ATOM 170 O ALA A 12 12.095 6.343 0.696 1.00 0.00 O ATOM 171 CB ALA A 12 10.409 6.834 -1.972 1.00 0.00 C ATOM 0 H ALA A 12 10.519 4.626 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 12 12.157 5.701 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.837 7.783 -2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.827 6.403 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.760 7.002 -1.112 1.00 0.00 H new ATOM 177 N PRO A 13 13.480 7.196 -0.863 1.00 0.00 N ATOM 178 CA PRO A 13 14.388 7.822 0.103 1.00 0.00 C ATOM 179 C PRO A 13 13.644 8.598 1.185 1.00 0.00 C ATOM 180 O PRO A 13 12.589 9.179 0.930 1.00 0.00 O ATOM 181 CB PRO A 13 15.224 8.768 -0.759 1.00 0.00 C ATOM 182 CG PRO A 13 15.224 8.145 -2.114 1.00 0.00 C ATOM 183 CD PRO A 13 13.898 7.443 -2.257 1.00 0.00 C ATOM 0 HA PRO A 13 14.979 7.083 0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.791 9.768 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.237 8.868 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.349 8.901 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.050 7.441 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.174 8.060 -2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.996 6.513 -2.816 1.00 0.00 H new ATOM 191 N MET A 14 14.199 8.602 2.395 1.00 0.00 N ATOM 192 CA MET A 14 13.574 9.307 3.510 1.00 0.00 C ATOM 193 C MET A 14 14.598 9.675 4.582 1.00 0.00 C ATOM 194 O MET A 14 14.305 10.461 5.484 1.00 0.00 O ATOM 195 CB MET A 14 12.467 8.442 4.118 1.00 0.00 C ATOM 196 CG MET A 14 11.675 9.136 5.215 1.00 0.00 C ATOM 197 SD MET A 14 10.779 10.582 4.620 1.00 0.00 S ATOM 198 CE MET A 14 9.928 11.089 6.113 1.00 0.00 C ATOM 0 H MET A 14 15.073 8.129 2.627 1.00 0.00 H new ATOM 0 HA MET A 14 13.144 10.232 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.782 8.137 3.327 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.911 7.533 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.968 8.429 5.649 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.354 9.438 6.012 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.329 11.976 5.907 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.278 10.283 6.453 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.659 11.318 6.889 1.00 0.00 H new ATOM 208 N ASP A 15 15.797 9.112 4.483 1.00 0.00 N ATOM 209 CA ASP A 15 16.840 9.388 5.467 1.00 0.00 C ATOM 210 C ASP A 15 18.231 9.350 4.840 1.00 0.00 C ATOM 211 O ASP A 15 19.238 9.330 5.550 1.00 0.00 O ATOM 212 CB ASP A 15 16.761 8.373 6.608 1.00 0.00 C ATOM 213 CG ASP A 15 17.518 8.822 7.842 1.00 0.00 C ATOM 214 OD1 ASP A 15 16.939 9.575 8.653 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.690 8.419 8.000 1.00 0.00 O ATOM 0 H ASP A 15 16.070 8.468 3.740 1.00 0.00 H new ATOM 0 HA ASP A 15 16.673 10.393 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.716 8.206 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.162 7.418 6.268 1.00 0.00 H new ATOM 220 N ILE A 16 18.289 9.345 3.514 1.00 0.00 N ATOM 221 CA ILE A 16 19.568 9.308 2.815 1.00 0.00 C ATOM 222 C ILE A 16 19.770 10.531 1.945 1.00 0.00 C ATOM 223 O ILE A 16 20.867 11.085 1.874 1.00 0.00 O ATOM 224 CB ILE A 16 19.699 8.054 1.927 1.00 0.00 C ATOM 225 CG1 ILE A 16 20.892 8.199 0.975 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.410 7.818 1.153 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.124 6.992 0.094 1.00 0.00 C ATOM 0 H ILE A 16 17.472 9.366 2.904 1.00 0.00 H new ATOM 0 HA ILE A 16 20.332 9.285 3.592 1.00 0.00 H new ATOM 0 HB ILE A 16 19.876 7.188 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 16 20.736 9.073 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.791 8.387 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.517 6.930 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.587 7.674 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.202 8.681 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.985 7.172 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.314 6.118 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.241 6.815 -0.521 1.00 0.00 H new ATOM 239 N THR A 17 18.700 10.950 1.300 1.00 0.00 N ATOM 240 CA THR A 17 18.749 12.087 0.396 1.00 0.00 C ATOM 241 C THR A 17 19.764 11.816 -0.699 1.00 0.00 C ATOM 242 O THR A 17 20.969 11.928 -0.477 1.00 0.00 O ATOM 243 CB THR A 17 19.154 13.373 1.118 1.00 0.00 C ATOM 244 OG1 THR A 17 18.719 13.336 2.483 1.00 0.00 O ATOM 245 CG2 THR A 17 18.568 14.594 0.426 1.00 0.00 C ATOM 0 H THR A 17 17.780 10.519 1.384 1.00 0.00 H new ATOM 0 HA THR A 17 17.749 12.220 -0.018 1.00 0.00 H new ATOM 0 HB THR A 17 20.241 13.446 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.986 14.164 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 17 18.871 15.495 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 17 18.932 14.640 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 17 17.480 14.523 0.422 1.00 0.00 H new ATOM 253 N LEU A 18 19.281 11.460 -1.875 1.00 0.00 N ATOM 254 CA LEU A 18 20.160 11.155 -2.986 1.00 0.00 C ATOM 255 C LEU A 18 21.015 12.360 -3.350 1.00 0.00 C ATOM 256 O LEU A 18 20.657 13.151 -4.222 1.00 0.00 O ATOM 257 CB LEU A 18 19.347 10.702 -4.193 1.00 0.00 C ATOM 258 CG LEU A 18 19.498 9.222 -4.554 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.966 8.872 -4.740 1.00 0.00 C ATOM 260 CD2 LEU A 18 18.873 8.342 -3.482 1.00 0.00 C ATOM 0 H LEU A 18 18.286 11.375 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 18 20.824 10.345 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.294 10.909 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 19.638 11.303 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 18 18.975 9.041 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.059 7.817 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.386 9.479 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.507 9.070 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.991 7.294 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.367 8.524 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 18 17.812 8.576 -3.392 1.00 0.00 H new ATOM 272 N THR A 19 22.144 12.493 -2.666 1.00 0.00 N ATOM 273 CA THR A 19 23.054 13.603 -2.899 1.00 0.00 C ATOM 274 C THR A 19 24.500 13.141 -2.771 1.00 0.00 C ATOM 275 O THR A 19 25.421 13.801 -3.251 1.00 0.00 O ATOM 276 CB THR A 19 22.797 14.746 -1.900 1.00 0.00 C ATOM 277 OG1 THR A 19 23.338 14.406 -0.617 1.00 0.00 O ATOM 278 CG2 THR A 19 21.305 15.021 -1.764 1.00 0.00 C ATOM 0 H THR A 19 22.451 11.842 -1.943 1.00 0.00 H new ATOM 0 HA THR A 19 22.877 13.970 -3.910 1.00 0.00 H new ATOM 0 HB THR A 19 23.286 15.644 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 19 23.172 15.139 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.148 15.832 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.897 15.305 -2.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 20.801 14.123 -1.407 1.00 0.00 H new ATOM 286 N GLU A 20 24.687 11.999 -2.118 1.00 0.00 N ATOM 287 CA GLU A 20 26.016 11.432 -1.921 1.00 0.00 C ATOM 288 C GLU A 20 26.441 10.617 -3.137 1.00 0.00 C ATOM 289 O GLU A 20 25.839 10.723 -4.205 1.00 0.00 O ATOM 290 CB GLU A 20 26.040 10.562 -0.664 1.00 0.00 C ATOM 291 CG GLU A 20 26.023 11.362 0.628 1.00 0.00 C ATOM 292 CD GLU A 20 26.026 10.480 1.860 1.00 0.00 C ATOM 293 OE1 GLU A 20 27.124 10.086 2.308 1.00 0.00 O ATOM 294 OE2 GLU A 20 24.930 10.183 2.380 1.00 0.00 O ATOM 0 H GLU A 20 23.931 11.446 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 20 26.723 12.252 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.180 9.893 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.932 9.936 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.891 12.020 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 20 25.139 12.000 0.644 1.00 0.00 H new ATOM 301 N THR A 21 27.479 9.806 -2.971 1.00 0.00 N ATOM 302 CA THR A 21 27.985 8.990 -4.069 1.00 0.00 C ATOM 303 C THR A 21 28.183 7.528 -3.672 1.00 0.00 C ATOM 304 O THR A 21 27.698 6.624 -4.353 1.00 0.00 O ATOM 305 CB THR A 21 29.323 9.537 -4.595 1.00 0.00 C ATOM 306 OG1 THR A 21 30.237 9.725 -3.508 1.00 0.00 O ATOM 307 CG2 THR A 21 29.121 10.852 -5.330 1.00 0.00 C ATOM 0 H THR A 21 27.985 9.696 -2.092 1.00 0.00 H new ATOM 0 HA THR A 21 27.226 9.039 -4.849 1.00 0.00 H new ATOM 0 HB THR A 21 29.736 8.811 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.087 10.072 -3.851 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.082 11.218 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.450 10.697 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.686 11.585 -4.651 1.00 0.00 H new ATOM 315 N ARG A 22 28.893 7.299 -2.572 1.00 0.00 N ATOM 316 CA ARG A 22 29.176 5.939 -2.120 1.00 0.00 C ATOM 317 C ARG A 22 28.659 5.698 -0.703 1.00 0.00 C ATOM 318 O ARG A 22 28.465 6.641 0.065 1.00 0.00 O ATOM 319 CB ARG A 22 30.675 5.678 -2.162 1.00 0.00 C ATOM 320 CG ARG A 22 31.286 5.841 -3.546 1.00 0.00 C ATOM 321 CD ARG A 22 32.778 5.539 -3.542 1.00 0.00 C ATOM 322 NE ARG A 22 33.530 6.485 -2.723 1.00 0.00 N ATOM 323 CZ ARG A 22 34.857 6.588 -2.745 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.573 5.808 -3.546 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.468 7.472 -1.969 1.00 0.00 N ATOM 0 H ARG A 22 29.282 8.032 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 22 28.660 5.254 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.173 6.359 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.869 4.666 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.782 5.176 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.122 6.859 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.941 4.528 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.155 5.566 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 22 33.010 7.102 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.106 5.128 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.590 5.889 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.921 8.075 -1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.485 7.550 -1.987 1.00 0.00 H new ATOM 339 N PHE A 23 28.445 4.424 -0.361 1.00 0.00 N ATOM 340 CA PHE A 23 27.951 4.031 0.960 1.00 0.00 C ATOM 341 C PHE A 23 28.538 2.672 1.352 1.00 0.00 C ATOM 342 O PHE A 23 28.185 1.647 0.769 1.00 0.00 O ATOM 343 CB PHE A 23 26.419 3.960 0.956 1.00 0.00 C ATOM 344 CG PHE A 23 25.757 5.264 0.621 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.730 5.722 -0.684 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.170 6.036 1.610 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.136 6.922 -1.000 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.569 7.241 1.299 1.00 0.00 C ATOM 349 CZ PHE A 23 24.553 7.685 -0.007 1.00 0.00 C ATOM 0 H PHE A 23 28.609 3.639 -0.991 1.00 0.00 H new ATOM 0 HA PHE A 23 28.264 4.779 1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.101 3.205 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.077 3.630 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.182 5.129 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.182 5.693 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.126 7.267 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.112 7.834 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.086 8.627 -0.253 1.00 0.00 H new ATOM 359 N LYS A 24 29.443 2.676 2.334 1.00 0.00 N ATOM 360 CA LYS A 24 30.106 1.448 2.788 1.00 0.00 C ATOM 361 C LYS A 24 29.124 0.305 3.030 1.00 0.00 C ATOM 362 O LYS A 24 27.911 0.504 3.073 1.00 0.00 O ATOM 363 CB LYS A 24 30.915 1.708 4.058 1.00 0.00 C ATOM 364 CG LYS A 24 30.222 2.626 5.053 1.00 0.00 C ATOM 365 CD LYS A 24 31.082 2.856 6.286 1.00 0.00 C ATOM 366 CE LYS A 24 30.432 3.840 7.246 1.00 0.00 C ATOM 367 NZ LYS A 24 30.219 5.173 6.616 1.00 0.00 N ATOM 0 H LYS A 24 29.735 3.517 2.832 1.00 0.00 H new ATOM 0 HA LYS A 24 30.775 1.143 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.126 0.755 4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.875 2.145 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.002 3.582 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.268 2.190 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.250 1.907 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.059 3.233 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.475 3.441 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.059 3.953 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.017 5.877 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.075 5.452 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.416 5.121 5.958 1.00 0.00 H new ATOM 381 N THR A 25 29.674 -0.898 3.202 1.00 0.00 N ATOM 382 CA THR A 25 28.869 -2.091 3.427 1.00 0.00 C ATOM 383 C THR A 25 28.161 -2.058 4.773 1.00 0.00 C ATOM 384 O THR A 25 27.332 -2.919 5.068 1.00 0.00 O ATOM 385 CB THR A 25 29.720 -3.364 3.366 1.00 0.00 C ATOM 386 OG1 THR A 25 31.062 -3.082 3.780 1.00 0.00 O ATOM 387 CG2 THR A 25 29.721 -3.971 1.966 1.00 0.00 C ATOM 0 H THR A 25 30.680 -1.068 3.189 1.00 0.00 H new ATOM 0 HA THR A 25 28.127 -2.103 2.629 1.00 0.00 H new ATOM 0 HB THR A 25 29.278 -4.092 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.596 -3.903 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.334 -4.872 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.701 -4.225 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.129 -3.250 1.257 1.00 0.00 H new ATOM 395 N GLY A 26 28.488 -1.069 5.584 1.00 0.00 N ATOM 396 CA GLY A 26 27.875 -0.957 6.893 1.00 0.00 C ATOM 397 C GLY A 26 26.717 0.014 6.900 1.00 0.00 C ATOM 398 O GLY A 26 25.914 0.030 7.834 1.00 0.00 O ATOM 0 H GLY A 26 29.166 -0.340 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.526 -1.938 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.623 -0.633 7.616 1.00 0.00 H new ATOM 402 N THR A 27 26.635 0.825 5.855 1.00 0.00 N ATOM 403 CA THR A 27 25.574 1.820 5.728 1.00 0.00 C ATOM 404 C THR A 27 24.200 1.162 5.684 1.00 0.00 C ATOM 405 O THR A 27 24.086 -0.037 5.440 1.00 0.00 O ATOM 406 CB THR A 27 25.755 2.673 4.458 1.00 0.00 C ATOM 407 OG1 THR A 27 25.019 3.896 4.582 1.00 0.00 O ATOM 408 CG2 THR A 27 25.275 1.917 3.228 1.00 0.00 C ATOM 0 H THR A 27 27.294 0.815 5.077 1.00 0.00 H new ATOM 0 HA THR A 27 25.640 2.462 6.607 1.00 0.00 H new ATOM 0 HB THR A 27 26.816 2.894 4.343 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.598 4.113 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.412 2.538 2.343 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.850 0.997 3.119 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.219 1.673 3.340 1.00 0.00 H new ATOM 416 N THR A 28 23.160 1.955 5.917 1.00 0.00 N ATOM 417 CA THR A 28 21.795 1.447 5.890 1.00 0.00 C ATOM 418 C THR A 28 20.798 2.580 5.666 1.00 0.00 C ATOM 419 O THR A 28 20.745 3.539 6.437 1.00 0.00 O ATOM 420 CB THR A 28 21.439 0.699 7.187 1.00 0.00 C ATOM 421 OG1 THR A 28 22.320 -0.416 7.370 1.00 0.00 O ATOM 422 CG2 THR A 28 19.998 0.210 7.158 1.00 0.00 C ATOM 0 H THR A 28 23.237 2.950 6.126 1.00 0.00 H new ATOM 0 HA THR A 28 21.734 0.744 5.060 1.00 0.00 H new ATOM 0 HB THR A 28 21.553 1.394 8.019 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.776 -0.615 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.773 -0.315 8.086 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.327 1.062 7.051 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.861 -0.468 6.316 1.00 0.00 H new ATOM 430 N LEU A 29 20.013 2.458 4.602 1.00 0.00 N ATOM 431 CA LEU A 29 19.025 3.471 4.254 1.00 0.00 C ATOM 432 C LEU A 29 17.693 3.198 4.950 1.00 0.00 C ATOM 433 O LEU A 29 17.439 2.082 5.406 1.00 0.00 O ATOM 434 CB LEU A 29 18.816 3.511 2.735 1.00 0.00 C ATOM 435 CG LEU A 29 20.005 4.029 1.914 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.229 3.152 2.121 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.646 4.091 0.437 1.00 0.00 C ATOM 0 H LEU A 29 20.042 1.664 3.963 1.00 0.00 H new ATOM 0 HA LEU A 29 19.401 4.437 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.573 2.505 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.950 4.138 2.522 1.00 0.00 H new ATOM 0 HG LEU A 29 20.241 5.035 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.058 3.539 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.504 3.154 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.004 2.133 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.501 4.460 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.380 3.094 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.799 4.763 0.296 1.00 0.00 H new ATOM 449 N LYS A 30 16.845 4.221 5.029 1.00 0.00 N ATOM 450 CA LYS A 30 15.533 4.082 5.658 1.00 0.00 C ATOM 451 C LYS A 30 14.492 3.707 4.611 1.00 0.00 C ATOM 452 O LYS A 30 14.052 2.559 4.540 1.00 0.00 O ATOM 453 CB LYS A 30 15.128 5.384 6.356 1.00 0.00 C ATOM 454 CG LYS A 30 14.216 5.178 7.557 1.00 0.00 C ATOM 455 CD LYS A 30 12.827 4.721 7.141 1.00 0.00 C ATOM 456 CE LYS A 30 11.958 4.406 8.347 1.00 0.00 C ATOM 457 NZ LYS A 30 11.808 5.582 9.250 1.00 0.00 N ATOM 0 H LYS A 30 17.042 5.154 4.666 1.00 0.00 H new ATOM 0 HA LYS A 30 15.590 3.292 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.028 5.907 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.625 6.030 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.657 4.438 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.139 6.109 8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.352 5.498 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.908 3.837 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.974 4.080 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.395 3.576 8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.091 5.375 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.718 5.783 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.511 6.410 8.695 1.00 0.00 H new ATOM 471 N TYR A 31 14.104 4.690 3.805 1.00 0.00 N ATOM 472 CA TYR A 31 13.133 4.484 2.736 1.00 0.00 C ATOM 473 C TYR A 31 11.741 4.141 3.266 1.00 0.00 C ATOM 474 O TYR A 31 11.588 3.398 4.236 1.00 0.00 O ATOM 475 CB TYR A 31 13.624 3.387 1.787 1.00 0.00 C ATOM 476 CG TYR A 31 14.528 3.900 0.689 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.673 4.628 0.989 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.237 3.657 -0.647 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.500 5.099 -0.011 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.060 4.124 -1.652 1.00 0.00 C ATOM 481 CZ TYR A 31 16.190 4.844 -1.330 1.00 0.00 C ATOM 482 OH TYR A 31 17.012 5.311 -2.328 1.00 0.00 O ATOM 0 H TYR A 31 14.451 5.647 3.873 1.00 0.00 H new ATOM 0 HA TYR A 31 13.044 5.426 2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.158 2.631 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.762 2.894 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 31 15.920 4.829 2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.352 3.093 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.386 5.665 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.819 3.926 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 31 16.652 5.044 -3.200 1.00 0.00 H new ATOM 492 N THR A 32 10.732 4.705 2.606 1.00 0.00 N ATOM 493 CA THR A 32 9.336 4.469 2.972 1.00 0.00 C ATOM 494 C THR A 32 8.579 3.815 1.818 1.00 0.00 C ATOM 495 O THR A 32 8.956 3.964 0.658 1.00 0.00 O ATOM 496 CB THR A 32 8.633 5.779 3.373 1.00 0.00 C ATOM 497 OG1 THR A 32 7.215 5.647 3.217 1.00 0.00 O ATOM 498 CG2 THR A 32 9.140 6.944 2.536 1.00 0.00 C ATOM 0 H THR A 32 10.856 5.332 1.811 1.00 0.00 H new ATOM 0 HA THR A 32 9.333 3.797 3.830 1.00 0.00 H new ATOM 0 HB THR A 32 8.861 5.981 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.778 6.485 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.629 7.858 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.213 7.061 2.688 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.942 6.748 1.482 1.00 0.00 H new ATOM 506 N CYS A 33 7.504 3.099 2.136 1.00 0.00 N ATOM 507 CA CYS A 33 6.721 2.407 1.114 1.00 0.00 C ATOM 508 C CYS A 33 5.452 3.171 0.740 1.00 0.00 C ATOM 509 O CYS A 33 4.689 3.628 1.592 1.00 0.00 O ATOM 510 CB CYS A 33 6.341 1.007 1.598 1.00 0.00 C ATOM 511 SG CYS A 33 7.242 0.454 3.081 1.00 0.00 S ATOM 0 H CYS A 33 7.156 2.982 3.088 1.00 0.00 H new ATOM 0 HA CYS A 33 7.348 2.340 0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.272 0.986 1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.521 0.296 0.792 1.00 0.00 H new ATOM 516 N LEU A 34 5.271 3.291 -0.577 1.00 0.00 N ATOM 517 CA LEU A 34 4.138 4.002 -1.157 1.00 0.00 C ATOM 518 C LEU A 34 2.824 3.600 -0.480 1.00 0.00 C ATOM 519 O LEU A 34 2.739 2.545 0.148 1.00 0.00 O ATOM 520 CB LEU A 34 4.086 3.742 -2.663 1.00 0.00 C ATOM 521 CG LEU A 34 5.427 3.936 -3.383 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.356 3.407 -4.806 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.831 5.403 -3.377 1.00 0.00 C ATOM 0 H LEU A 34 5.908 2.896 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 34 4.271 5.071 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.740 2.722 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.347 4.408 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 34 6.187 3.368 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.318 3.555 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.118 2.344 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.582 3.943 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.784 5.520 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.069 5.992 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.930 5.749 -2.348 1.00 0.00 H new ATOM 535 N PRO A 35 1.784 4.444 -0.599 1.00 0.00 N ATOM 536 CA PRO A 35 0.476 4.201 0.026 1.00 0.00 C ATOM 537 C PRO A 35 -0.119 2.834 -0.292 1.00 0.00 C ATOM 538 O PRO A 35 -0.912 2.304 0.488 1.00 0.00 O ATOM 539 CB PRO A 35 -0.419 5.313 -0.540 1.00 0.00 C ATOM 540 CG PRO A 35 0.341 5.897 -1.685 1.00 0.00 C ATOM 541 CD PRO A 35 1.791 5.705 -1.356 1.00 0.00 C ATOM 0 HA PRO A 35 0.566 4.209 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.379 4.914 -0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.630 6.069 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.083 5.399 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.106 6.954 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.405 5.635 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.185 6.531 -0.764 1.00 0.00 H new ATOM 549 N GLY A 36 0.254 2.262 -1.427 1.00 0.00 N ATOM 550 CA GLY A 36 -0.280 0.968 -1.818 1.00 0.00 C ATOM 551 C GLY A 36 0.342 -0.224 -1.114 1.00 0.00 C ATOM 552 O GLY A 36 -0.158 -1.342 -1.240 1.00 0.00 O ATOM 0 H GLY A 36 0.917 2.669 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.353 0.963 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.146 0.846 -2.893 1.00 0.00 H new ATOM 556 N TYR A 37 1.420 -0.008 -0.376 1.00 0.00 N ATOM 557 CA TYR A 37 2.062 -1.098 0.342 1.00 0.00 C ATOM 558 C TYR A 37 1.415 -1.291 1.704 1.00 0.00 C ATOM 559 O TYR A 37 1.114 -0.320 2.399 1.00 0.00 O ATOM 560 CB TYR A 37 3.558 -0.824 0.508 1.00 0.00 C ATOM 561 CG TYR A 37 4.293 -0.702 -0.805 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.204 0.458 -1.563 1.00 0.00 C ATOM 563 CD2 TYR A 37 5.064 -1.749 -1.299 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.861 0.573 -2.768 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.719 -1.641 -2.508 1.00 0.00 C ATOM 566 CZ TYR A 37 5.614 -0.477 -3.237 1.00 0.00 C ATOM 567 OH TYR A 37 6.255 -0.368 -4.450 1.00 0.00 O ATOM 0 H TYR A 37 1.865 0.902 -0.259 1.00 0.00 H new ATOM 0 HA TYR A 37 1.936 -2.011 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.691 0.096 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.005 -1.628 1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.610 1.284 -1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.151 -2.661 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.785 1.485 -3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.311 -2.464 -2.881 1.00 0.00 H new ATOM 0 HH TYR A 37 6.515 0.565 -4.600 1.00 0.00 H new ATOM 577 N VAL A 38 1.199 -2.545 2.089 1.00 0.00 N ATOM 578 CA VAL A 38 0.611 -2.907 3.363 1.00 0.00 C ATOM 579 C VAL A 38 1.654 -3.666 4.167 1.00 0.00 C ATOM 580 O VAL A 38 2.853 -3.426 4.020 1.00 0.00 O ATOM 581 CB VAL A 38 -0.652 -3.770 3.160 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.689 -3.004 2.353 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.310 -5.081 2.470 1.00 0.00 C ATOM 0 H VAL A 38 1.434 -3.350 1.509 1.00 0.00 H new ATOM 0 HA VAL A 38 0.307 -2.008 3.899 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.068 -4.001 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.575 -3.624 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.962 -2.092 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.274 -2.746 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.217 -5.671 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.133 -4.875 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.400 -5.639 3.080 1.00 0.00 H new ATOM 593 N ARG A 39 1.206 -4.576 5.018 1.00 0.00 N ATOM 594 CA ARG A 39 2.129 -5.339 5.847 1.00 0.00 C ATOM 595 C ARG A 39 2.308 -6.781 5.384 1.00 0.00 C ATOM 596 O ARG A 39 1.348 -7.473 5.042 1.00 0.00 O ATOM 597 CB ARG A 39 1.680 -5.309 7.309 1.00 0.00 C ATOM 598 CG ARG A 39 0.282 -5.860 7.532 1.00 0.00 C ATOM 599 CD ARG A 39 -0.111 -5.804 9.000 1.00 0.00 C ATOM 600 NE ARG A 39 -1.496 -6.215 9.212 1.00 0.00 N ATOM 601 CZ ARG A 39 -2.107 -6.171 10.393 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.456 -5.749 11.468 1.00 0.00 N ATOM 603 NH2 ARG A 39 -3.373 -6.552 10.498 1.00 0.00 N ATOM 0 H ARG A 39 0.221 -4.803 5.153 1.00 0.00 H new ATOM 0 HA ARG A 39 3.101 -4.856 5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.387 -5.883 7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.717 -4.281 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.434 -5.289 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.236 -6.891 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.551 -6.449 9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.027 -4.789 9.374 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.025 -6.555 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.482 -5.456 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.929 -5.717 12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.877 -6.878 9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.842 -6.519 11.403 1.00 0.00 H new ATOM 617 N SER A 40 3.569 -7.212 5.385 1.00 0.00 N ATOM 618 CA SER A 40 3.949 -8.566 5.000 1.00 0.00 C ATOM 619 C SER A 40 5.424 -8.799 5.319 1.00 0.00 C ATOM 620 O SER A 40 5.915 -9.927 5.266 1.00 0.00 O ATOM 621 CB SER A 40 3.691 -8.806 3.512 1.00 0.00 C ATOM 622 OG SER A 40 4.068 -10.119 3.133 1.00 0.00 O ATOM 0 H SER A 40 4.359 -6.626 5.655 1.00 0.00 H new ATOM 0 HA SER A 40 3.340 -9.269 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.635 -8.650 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.249 -8.079 2.921 1.00 0.00 H new ATOM 0 HG SER A 40 4.715 -10.473 3.779 1.00 0.00 H new ATOM 628 N HIS A 41 6.122 -7.713 5.648 1.00 0.00 N ATOM 629 CA HIS A 41 7.541 -7.774 5.986 1.00 0.00 C ATOM 630 C HIS A 41 7.839 -6.877 7.187 1.00 0.00 C ATOM 631 O HIS A 41 8.640 -7.229 8.055 1.00 0.00 O ATOM 632 CB HIS A 41 8.391 -7.353 4.787 1.00 0.00 C ATOM 633 CG HIS A 41 9.842 -7.691 4.932 1.00 0.00 C ATOM 634 ND1 HIS A 41 10.922 -6.898 5.127 1.00 0.00 N flip ATOM 635 CD2 HIS A 41 10.321 -8.983 4.881 1.00 0.00 C flip ATOM 636 CE1 HIS A 41 12.021 -7.717 5.189 1.00 0.00 C flip ATOM 637 NE2 HIS A 41 11.633 -8.970 5.039 1.00 0.00 N flip ATOM 0 H HIS A 41 5.723 -6.775 5.687 1.00 0.00 H new ATOM 0 HA HIS A 41 7.792 -8.802 6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 41 8.002 -7.835 3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.290 -6.278 4.641 1.00 0.00 H new ATOM 0 HD1 HIS A 41 10.919 -5.882 5.212 1.00 0.00 H new ATOM 0 HD2 HIS A 41 9.718 -9.867 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 41 13.039 -7.389 5.337 1.00 0.00 H new ATOM 646 N SER A 42 7.192 -5.710 7.216 1.00 0.00 N ATOM 647 CA SER A 42 7.347 -4.747 8.310 1.00 0.00 C ATOM 648 C SER A 42 8.715 -4.068 8.309 1.00 0.00 C ATOM 649 O SER A 42 8.922 -3.084 9.020 1.00 0.00 O ATOM 650 CB SER A 42 7.110 -5.432 9.658 1.00 0.00 C ATOM 651 OG SER A 42 7.243 -4.512 10.729 1.00 0.00 O ATOM 0 H SER A 42 6.548 -5.406 6.485 1.00 0.00 H new ATOM 0 HA SER A 42 6.599 -3.970 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.113 -5.873 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.822 -6.248 9.785 1.00 0.00 H new ATOM 0 HG SER A 42 7.704 -3.707 10.413 1.00 0.00 H new ATOM 657 N THR A 43 9.646 -4.586 7.519 1.00 0.00 N ATOM 658 CA THR A 43 10.986 -4.007 7.453 1.00 0.00 C ATOM 659 C THR A 43 11.247 -3.370 6.091 1.00 0.00 C ATOM 660 O THR A 43 10.525 -3.626 5.129 1.00 0.00 O ATOM 661 CB THR A 43 12.072 -5.064 7.731 1.00 0.00 C ATOM 662 OG1 THR A 43 11.651 -5.928 8.795 1.00 0.00 O ATOM 663 CG2 THR A 43 13.388 -4.402 8.109 1.00 0.00 C ATOM 0 H THR A 43 9.503 -5.398 6.919 1.00 0.00 H new ATOM 0 HA THR A 43 11.034 -3.238 8.224 1.00 0.00 H new ATOM 0 HB THR A 43 12.221 -5.646 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.345 -6.599 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.139 -5.168 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.722 -3.763 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.248 -3.799 9.006 1.00 0.00 H new ATOM 671 N GLN A 44 12.280 -2.532 6.024 1.00 0.00 N ATOM 672 CA GLN A 44 12.647 -1.852 4.784 1.00 0.00 C ATOM 673 C GLN A 44 13.941 -1.060 4.962 1.00 0.00 C ATOM 674 O GLN A 44 13.939 0.018 5.557 1.00 0.00 O ATOM 675 CB GLN A 44 11.518 -0.920 4.334 1.00 0.00 C ATOM 676 CG GLN A 44 11.017 0.004 5.433 1.00 0.00 C ATOM 677 CD GLN A 44 9.956 0.970 4.945 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.950 1.368 3.780 1.00 0.00 O ATOM 679 NE2 GLN A 44 9.048 1.351 5.836 1.00 0.00 N ATOM 0 H GLN A 44 12.880 -2.307 6.818 1.00 0.00 H new ATOM 0 HA GLN A 44 12.808 -2.609 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.868 -0.318 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.685 -1.521 3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.611 -0.595 6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.857 0.568 5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.091 0.996 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.308 1.998 5.565 1.00 0.00 H new ATOM 688 N THR A 45 15.042 -1.595 4.436 1.00 0.00 N ATOM 689 CA THR A 45 16.344 -0.944 4.553 1.00 0.00 C ATOM 690 C THR A 45 17.281 -1.359 3.422 1.00 0.00 C ATOM 691 O THR A 45 17.230 -2.491 2.943 1.00 0.00 O ATOM 692 CB THR A 45 17.029 -1.278 5.894 1.00 0.00 C ATOM 693 OG1 THR A 45 17.152 -2.698 6.039 1.00 0.00 O ATOM 694 CG2 THR A 45 16.249 -0.712 7.072 1.00 0.00 C ATOM 0 H THR A 45 15.057 -2.478 3.925 1.00 0.00 H new ATOM 0 HA THR A 45 16.153 0.128 4.498 1.00 0.00 H new ATOM 0 HB THR A 45 18.018 -0.820 5.887 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.589 -2.903 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.759 -0.965 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.183 0.372 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.245 -1.137 7.081 1.00 0.00 H new ATOM 702 N LEU A 46 18.134 -0.430 3.001 1.00 0.00 N ATOM 703 CA LEU A 46 19.102 -0.691 1.941 1.00 0.00 C ATOM 704 C LEU A 46 20.513 -0.672 2.520 1.00 0.00 C ATOM 705 O LEU A 46 20.986 0.358 2.997 1.00 0.00 O ATOM 706 CB LEU A 46 18.971 0.344 0.817 1.00 0.00 C ATOM 707 CG LEU A 46 18.187 -0.131 -0.411 1.00 0.00 C ATOM 708 CD1 LEU A 46 18.066 0.984 -1.441 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.852 -1.351 -1.024 1.00 0.00 C ATOM 0 H LEU A 46 18.174 0.516 3.381 1.00 0.00 H new ATOM 0 HA LEU A 46 18.902 -1.675 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.486 1.234 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.970 0.642 0.499 1.00 0.00 H new ATOM 0 HG LEU A 46 17.183 -0.407 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.506 0.623 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.545 1.833 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.061 1.295 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.283 -1.676 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.868 -1.098 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.883 -2.156 -0.290 1.00 0.00 H new ATOM 721 N THR A 47 21.181 -1.820 2.475 1.00 0.00 N ATOM 722 CA THR A 47 22.539 -1.939 2.993 1.00 0.00 C ATOM 723 C THR A 47 23.493 -2.404 1.904 1.00 0.00 C ATOM 724 O THR A 47 23.090 -3.118 0.985 1.00 0.00 O ATOM 725 CB THR A 47 22.610 -2.946 4.159 1.00 0.00 C ATOM 726 OG1 THR A 47 21.614 -2.633 5.140 1.00 0.00 O ATOM 727 CG2 THR A 47 23.987 -2.933 4.807 1.00 0.00 C ATOM 0 H THR A 47 20.803 -2.683 2.084 1.00 0.00 H new ATOM 0 HA THR A 47 22.830 -0.950 3.348 1.00 0.00 H new ATOM 0 HB THR A 47 22.425 -3.942 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.665 -3.278 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.010 -3.652 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.740 -3.202 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.198 -1.936 5.193 1.00 0.00 H new ATOM 735 N CYS A 48 24.755 -2.001 2.002 1.00 0.00 N ATOM 736 CA CYS A 48 25.741 -2.418 1.024 1.00 0.00 C ATOM 737 C CYS A 48 26.224 -3.808 1.404 1.00 0.00 C ATOM 738 O CYS A 48 26.775 -4.012 2.486 1.00 0.00 O ATOM 739 CB CYS A 48 26.905 -1.428 0.967 1.00 0.00 C ATOM 740 SG CYS A 48 28.154 -1.817 -0.300 1.00 0.00 S ATOM 0 H CYS A 48 25.112 -1.394 2.740 1.00 0.00 H new ATOM 0 HA CYS A 48 25.294 -2.441 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.510 -0.430 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.390 -1.398 1.943 1.00 0.00 H new ATOM 745 N ASN A 49 26.003 -4.763 0.515 1.00 0.00 N ATOM 746 CA ASN A 49 26.452 -6.125 0.750 1.00 0.00 C ATOM 747 C ASN A 49 27.798 -6.343 0.063 1.00 0.00 C ATOM 748 O ASN A 49 28.292 -5.455 -0.633 1.00 0.00 O ATOM 749 CB ASN A 49 25.417 -7.131 0.231 1.00 0.00 C ATOM 750 CG ASN A 49 25.466 -7.301 -1.274 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.947 -6.429 -1.996 1.00 0.00 O ATOM 752 ND2 ASN A 49 24.958 -8.429 -1.754 1.00 0.00 N ATOM 0 H ASN A 49 25.518 -4.621 -0.371 1.00 0.00 H new ATOM 0 HA ASN A 49 26.567 -6.281 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.586 -8.097 0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.420 -6.802 0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 49 24.956 -8.600 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.569 -9.125 -1.117 1.00 0.00 H new ATOM 759 N SER A 50 28.389 -7.514 0.253 1.00 0.00 N ATOM 760 CA SER A 50 29.672 -7.820 -0.373 1.00 0.00 C ATOM 761 C SER A 50 29.422 -8.401 -1.761 1.00 0.00 C ATOM 762 O SER A 50 29.787 -9.538 -2.062 1.00 0.00 O ATOM 763 CB SER A 50 30.468 -8.801 0.488 1.00 0.00 C ATOM 764 OG SER A 50 31.727 -9.088 -0.097 1.00 0.00 O ATOM 0 H SER A 50 28.007 -8.263 0.830 1.00 0.00 H new ATOM 0 HA SER A 50 30.259 -6.906 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.613 -8.381 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.902 -9.724 0.611 1.00 0.00 H new ATOM 0 HG SER A 50 31.593 -9.503 -0.974 1.00 0.00 H new ATOM 770 N ASP A 51 28.787 -7.584 -2.592 1.00 0.00 N ATOM 771 CA ASP A 51 28.436 -7.946 -3.960 1.00 0.00 C ATOM 772 C ASP A 51 28.398 -6.702 -4.840 1.00 0.00 C ATOM 773 O ASP A 51 28.064 -6.773 -6.023 1.00 0.00 O ATOM 774 CB ASP A 51 27.062 -8.610 -3.981 1.00 0.00 C ATOM 775 CG ASP A 51 26.922 -9.608 -5.114 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.851 -9.175 -6.283 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.886 -10.825 -4.832 1.00 0.00 O ATOM 0 H ASP A 51 28.498 -6.641 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 51 29.188 -8.637 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.891 -9.116 -3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.292 -7.844 -4.077 1.00 0.00 H new ATOM 782 N GLY A 52 28.749 -5.565 -4.247 1.00 0.00 N ATOM 783 CA GLY A 52 28.723 -4.311 -4.978 1.00 0.00 C ATOM 784 C GLY A 52 27.345 -4.002 -5.527 1.00 0.00 C ATOM 785 O GLY A 52 27.169 -3.180 -6.426 1.00 0.00 O ATOM 0 H GLY A 52 29.050 -5.490 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.041 -3.502 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.439 -4.355 -5.799 1.00 0.00 H new ATOM 789 N GLU A 53 26.374 -4.697 -4.947 1.00 0.00 N ATOM 790 CA GLU A 53 24.976 -4.506 -5.303 1.00 0.00 C ATOM 791 C GLU A 53 24.146 -4.245 -4.056 1.00 0.00 C ATOM 792 O GLU A 53 24.511 -4.659 -2.959 1.00 0.00 O ATOM 793 CB GLU A 53 24.426 -5.730 -6.038 1.00 0.00 C ATOM 794 CG GLU A 53 23.972 -6.846 -5.110 1.00 0.00 C ATOM 795 CD GLU A 53 23.440 -8.051 -5.860 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.229 -8.072 -6.166 1.00 0.00 O ATOM 797 OE2 GLU A 53 24.233 -8.973 -6.142 1.00 0.00 O ATOM 0 H GLU A 53 26.532 -5.400 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 53 24.913 -3.644 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.586 -5.422 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.194 -6.116 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.808 -7.154 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.197 -6.466 -4.444 1.00 0.00 H new ATOM 804 N TRP A 54 23.035 -3.551 -4.229 1.00 0.00 N ATOM 805 CA TRP A 54 22.157 -3.252 -3.127 1.00 0.00 C ATOM 806 C TRP A 54 21.194 -4.401 -2.905 1.00 0.00 C ATOM 807 O TRP A 54 20.296 -4.660 -3.707 1.00 0.00 O ATOM 808 CB TRP A 54 21.409 -1.963 -3.426 1.00 0.00 C ATOM 809 CG TRP A 54 22.328 -0.788 -3.556 1.00 0.00 C ATOM 810 CD1 TRP A 54 23.046 -0.414 -4.656 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.640 0.153 -2.535 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.777 0.716 -4.377 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.545 1.083 -3.077 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.232 0.295 -1.217 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.050 2.148 -2.332 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.730 1.349 -0.473 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.631 2.264 -1.033 1.00 0.00 C ATOM 0 H TRP A 54 22.724 -3.185 -5.129 1.00 0.00 H new ATOM 0 HA TRP A 54 22.737 -3.120 -2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.841 -2.081 -4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.688 -1.771 -2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 54 23.040 -0.930 -5.605 1.00 0.00 H new ATOM 0 HE1 TRP A 54 24.391 1.202 -5.030 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.537 -0.406 -0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.745 2.854 -2.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 22.420 1.468 0.555 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.003 3.078 -0.428 1.00 0.00 H new ATOM 828 N VAL A 55 21.409 -5.082 -1.789 1.00 0.00 N ATOM 829 CA VAL A 55 20.612 -6.229 -1.411 1.00 0.00 C ATOM 830 C VAL A 55 19.523 -5.768 -0.454 1.00 0.00 C ATOM 831 O VAL A 55 19.762 -4.865 0.350 1.00 0.00 O ATOM 832 CB VAL A 55 21.499 -7.299 -0.741 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.738 -8.073 0.316 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.066 -8.242 -1.784 1.00 0.00 C ATOM 0 H VAL A 55 22.144 -4.850 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 55 20.159 -6.673 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 55 22.322 -6.785 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.395 -8.817 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.386 -7.387 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.885 -8.572 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.690 -8.991 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.249 -8.736 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.667 -7.677 -2.496 1.00 0.00 H new ATOM 844 N TYR A 56 18.340 -6.377 -0.513 1.00 0.00 N ATOM 845 CA TYR A 56 17.276 -5.965 0.402 1.00 0.00 C ATOM 846 C TYR A 56 15.970 -6.720 0.187 1.00 0.00 C ATOM 847 O TYR A 56 14.975 -6.452 0.861 1.00 0.00 O ATOM 848 CB TYR A 56 17.001 -4.471 0.223 1.00 0.00 C ATOM 849 CG TYR A 56 16.565 -4.119 -1.185 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.485 -4.053 -2.224 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.232 -3.865 -1.477 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.090 -3.743 -3.511 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.827 -3.553 -2.761 1.00 0.00 C ATOM 854 CZ TYR A 56 15.760 -3.493 -3.775 1.00 0.00 C ATOM 855 OH TYR A 56 15.362 -3.184 -5.055 1.00 0.00 O ATOM 0 H TYR A 56 18.098 -7.129 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 56 17.628 -6.192 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.228 -4.162 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.901 -3.908 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.528 -4.248 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.498 -3.912 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.819 -3.697 -4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.786 -3.357 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 56 14.393 -3.038 -5.070 1.00 0.00 H new ATOM 865 N ASN A 57 15.983 -7.671 -0.740 1.00 0.00 N ATOM 866 CA ASN A 57 14.796 -8.465 -1.049 1.00 0.00 C ATOM 867 C ASN A 57 13.576 -7.564 -1.241 1.00 0.00 C ATOM 868 O ASN A 57 13.703 -6.343 -1.332 1.00 0.00 O ATOM 869 CB ASN A 57 14.532 -9.470 0.073 1.00 0.00 C ATOM 870 CG ASN A 57 15.679 -10.446 0.252 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.695 -11.520 -0.350 1.00 0.00 O ATOM 872 ND2 ASN A 57 16.648 -10.076 1.081 1.00 0.00 N ATOM 0 H ASN A 57 16.805 -7.913 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 57 14.976 -9.005 -1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.365 -8.933 1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.618 -10.023 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.446 -10.691 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.594 -9.177 1.559 1.00 0.00 H new ATOM 879 N THR A 58 12.397 -8.167 -1.320 1.00 0.00 N ATOM 880 CA THR A 58 11.170 -7.400 -1.481 1.00 0.00 C ATOM 881 C THR A 58 10.548 -7.121 -0.120 1.00 0.00 C ATOM 882 O THR A 58 9.670 -7.855 0.334 1.00 0.00 O ATOM 883 CB THR A 58 10.145 -8.134 -2.366 1.00 0.00 C ATOM 884 OG1 THR A 58 10.743 -8.491 -3.617 1.00 0.00 O ATOM 885 CG2 THR A 58 8.925 -7.258 -2.615 1.00 0.00 C ATOM 0 H THR A 58 12.265 -9.177 -1.276 1.00 0.00 H new ATOM 0 HA THR A 58 11.434 -6.464 -1.972 1.00 0.00 H new ATOM 0 HB THR A 58 9.828 -9.037 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.085 -8.959 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.213 -7.795 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.455 -7.010 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.232 -6.341 -3.118 1.00 0.00 H new ATOM 893 N PHE A 59 11.017 -6.062 0.533 1.00 0.00 N ATOM 894 CA PHE A 59 10.515 -5.706 1.853 1.00 0.00 C ATOM 895 C PHE A 59 9.030 -5.331 1.812 1.00 0.00 C ATOM 896 O PHE A 59 8.173 -6.215 1.819 1.00 0.00 O ATOM 897 CB PHE A 59 11.362 -4.590 2.484 1.00 0.00 C ATOM 898 CG PHE A 59 11.917 -3.565 1.525 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.172 -3.095 0.454 1.00 0.00 C ATOM 900 CD2 PHE A 59 13.194 -3.061 1.714 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.692 -2.148 -0.407 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.717 -2.112 0.859 1.00 0.00 C ATOM 903 CZ PHE A 59 12.965 -1.655 -0.204 1.00 0.00 C ATOM 0 H PHE A 59 11.740 -5.440 0.171 1.00 0.00 H new ATOM 0 HA PHE A 59 10.604 -6.588 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.754 -4.073 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.194 -5.049 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.174 -3.474 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.789 -3.416 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.102 -1.793 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.713 -1.728 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.372 -0.913 -0.875 1.00 0.00 H new ATOM 913 N CYS A 60 8.721 -4.034 1.779 1.00 0.00 N ATOM 914 CA CYS A 60 7.328 -3.587 1.732 1.00 0.00 C ATOM 915 C CYS A 60 6.555 -4.368 0.676 1.00 0.00 C ATOM 916 O CYS A 60 7.111 -4.755 -0.352 1.00 0.00 O ATOM 917 CB CYS A 60 7.247 -2.089 1.429 1.00 0.00 C ATOM 918 SG CYS A 60 8.399 -1.068 2.403 1.00 0.00 S ATOM 0 H CYS A 60 9.409 -3.281 1.784 1.00 0.00 H new ATOM 0 HA CYS A 60 6.882 -3.770 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.447 -1.933 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.229 -1.746 1.615 1.00 0.00 H new ATOM 923 N ILE A 61 5.271 -4.595 0.930 1.00 0.00 N ATOM 924 CA ILE A 61 4.439 -5.345 -0.001 1.00 0.00 C ATOM 925 C ILE A 61 3.301 -4.495 -0.555 1.00 0.00 C ATOM 926 O ILE A 61 2.535 -3.896 0.192 1.00 0.00 O ATOM 927 CB ILE A 61 3.853 -6.603 0.666 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.143 -7.475 -0.371 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.895 -6.215 1.784 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.929 -8.901 0.086 1.00 0.00 C ATOM 0 H ILE A 61 4.787 -4.272 1.768 1.00 0.00 H new ATOM 0 HA ILE A 61 5.086 -5.642 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 61 4.671 -7.179 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.177 -7.029 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.727 -7.480 -1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.490 -7.116 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.429 -5.632 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.080 -5.619 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.421 -9.462 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.893 -9.364 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.319 -8.906 0.989 1.00 0.00 H new ATOM 942 N TYR A 62 3.201 -4.452 -1.875 1.00 0.00 N ATOM 943 CA TYR A 62 2.159 -3.691 -2.552 1.00 0.00 C ATOM 944 C TYR A 62 1.006 -4.600 -2.945 1.00 0.00 C ATOM 945 O TYR A 62 1.173 -5.503 -3.766 1.00 0.00 O ATOM 946 CB TYR A 62 2.730 -3.024 -3.805 1.00 0.00 C ATOM 947 CG TYR A 62 1.995 -1.771 -4.228 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.607 -1.711 -4.255 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.703 -0.635 -4.576 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.045 -0.548 -4.623 1.00 0.00 C ATOM 951 CE2 TYR A 62 2.067 0.530 -4.937 1.00 0.00 C ATOM 952 CZ TYR A 62 0.692 0.571 -4.961 1.00 0.00 C ATOM 953 OH TYR A 62 0.053 1.736 -5.309 1.00 0.00 O ATOM 0 H TYR A 62 3.836 -4.941 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 62 1.791 -2.927 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.776 -2.776 -3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.708 -3.740 -4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.030 -2.583 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.783 -0.663 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.124 -0.515 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.642 1.405 -5.199 1.00 0.00 H new ATOM 0 HH TYR A 62 0.719 2.425 -5.516 1.00 0.00 H new ATOM 963 N LYS A 63 -0.166 -4.366 -2.360 1.00 0.00 N ATOM 964 CA LYS A 63 -1.344 -5.161 -2.670 1.00 0.00 C ATOM 965 C LYS A 63 -2.602 -4.516 -2.096 1.00 0.00 C ATOM 966 O LYS A 63 -3.143 -4.985 -1.096 1.00 0.00 O ATOM 967 CB LYS A 63 -1.169 -6.574 -2.095 1.00 0.00 C ATOM 968 CG LYS A 63 -0.829 -6.587 -0.605 1.00 0.00 C ATOM 969 CD LYS A 63 -0.392 -7.967 -0.135 1.00 0.00 C ATOM 970 CE LYS A 63 -0.204 -8.024 1.374 1.00 0.00 C ATOM 971 NZ LYS A 63 0.189 -9.383 1.837 1.00 0.00 N ATOM 0 H LYS A 63 -0.322 -3.632 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.456 -5.216 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.087 -7.139 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.379 -7.086 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.034 -5.868 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.699 -6.267 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.136 -8.704 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.542 -8.238 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.559 -7.305 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.130 -7.727 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.844 -9.300 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.659 -9.907 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.657 -9.893 1.060 1.00 0.00 H new ATOM 985 N ARG A 64 -3.073 -3.441 -2.724 1.00 0.00 N ATOM 986 CA ARG A 64 -4.264 -2.749 -2.244 1.00 0.00 C ATOM 987 C ARG A 64 -5.538 -3.475 -2.671 1.00 0.00 C ATOM 988 O ARG A 64 -5.534 -4.686 -2.895 1.00 0.00 O ATOM 989 CB ARG A 64 -4.295 -1.298 -2.739 1.00 0.00 C ATOM 990 CG ARG A 64 -4.585 -1.150 -4.224 1.00 0.00 C ATOM 991 CD ARG A 64 -3.318 -1.220 -5.053 1.00 0.00 C ATOM 992 NE ARG A 64 -3.586 -1.002 -6.472 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.798 -1.444 -7.448 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.697 -2.124 -7.162 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.113 -1.205 -8.715 1.00 0.00 N ATOM 0 H ARG A 64 -2.652 -3.034 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.220 -2.745 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.051 -0.751 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.335 -0.831 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.271 -1.936 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.085 -0.198 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.609 -0.472 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.848 -2.194 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.425 -0.481 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.451 -2.310 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.096 -2.461 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.959 -0.682 -8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.509 -1.544 -9.463 1.00 0.00 H new ATOM 1009 N CYS A 65 -6.624 -2.719 -2.777 1.00 0.00 N ATOM 1010 CA CYS A 65 -7.918 -3.264 -3.158 1.00 0.00 C ATOM 1011 C CYS A 65 -8.513 -2.465 -4.305 1.00 0.00 C ATOM 1012 O CYS A 65 -8.483 -1.235 -4.284 1.00 0.00 O ATOM 1013 CB CYS A 65 -8.870 -3.203 -1.964 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.063 -3.481 -0.355 1.00 0.00 S ATOM 0 H CYS A 65 -6.631 -1.714 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.780 -4.298 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.357 -2.228 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.653 -3.949 -2.099 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.048 -3.149 -5.312 1.00 0.00 N ATOM 1020 CA ARG A 66 -9.659 -2.443 -6.425 1.00 0.00 C ATOM 1021 C ARG A 66 -10.816 -1.617 -5.883 1.00 0.00 C ATOM 1022 O ARG A 66 -11.584 -2.096 -5.054 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.139 -3.418 -7.503 1.00 0.00 C ATOM 1024 CG ARG A 66 -10.796 -2.738 -8.692 1.00 0.00 C ATOM 1025 CD ARG A 66 -9.771 -2.027 -9.559 1.00 0.00 C ATOM 1026 NE ARG A 66 -8.835 -2.962 -10.177 1.00 0.00 N ATOM 1027 CZ ARG A 66 -7.732 -2.586 -10.818 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -7.423 -1.301 -10.915 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -6.936 -3.497 -11.361 1.00 0.00 N ATOM 0 H ARG A 66 -9.070 -4.167 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.924 -1.790 -6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.290 -4.004 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.847 -4.117 -7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.328 -3.479 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.537 -2.021 -8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.284 -1.461 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.219 -1.309 -8.953 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.039 -3.959 -10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.032 -0.597 -10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.576 -1.016 -11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.169 -4.487 -11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.090 -3.208 -11.852 1.00 0.00 H new ATOM 1043 N HIS A 67 -10.946 -0.385 -6.353 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.003 0.489 -5.876 1.00 0.00 C ATOM 1045 C HIS A 67 -13.369 -0.197 -5.974 1.00 0.00 C ATOM 1046 O HIS A 67 -13.708 -0.780 -7.004 1.00 0.00 O ATOM 1047 CB HIS A 67 -11.995 1.796 -6.667 1.00 0.00 C ATOM 1048 CG HIS A 67 -12.294 1.632 -8.123 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.332 1.323 -9.062 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.458 1.742 -8.803 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -11.893 1.253 -10.257 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -13.182 1.502 -10.125 1.00 0.00 N ATOM 0 H HIS A 67 -10.337 0.028 -7.059 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.820 0.713 -4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.727 2.476 -6.231 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.018 2.267 -6.559 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.425 1.975 -8.383 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -11.383 1.030 -11.183 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -13.863 1.514 -10.884 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.167 -0.138 -4.889 1.00 0.00 N ATOM 1062 CA PRO A 68 -15.502 -0.748 -4.843 1.00 0.00 C ATOM 1063 C PRO A 68 -16.378 -0.288 -5.996 1.00 0.00 C ATOM 1064 O PRO A 68 -17.198 -1.048 -6.513 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.088 -0.249 -3.513 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.205 0.872 -3.082 1.00 0.00 C ATOM 1067 CD PRO A 68 -13.847 0.553 -3.632 1.00 0.00 C ATOM 0 HA PRO A 68 -15.451 -1.834 -4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.117 0.089 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.103 -1.045 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.568 1.826 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.178 0.954 -1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.257 1.453 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.274 -0.081 -2.955 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.195 0.963 -6.393 1.00 0.00 N ATOM 1076 CA GLY A 69 -16.982 1.523 -7.470 1.00 0.00 C ATOM 1077 C GLY A 69 -17.997 2.517 -6.953 1.00 0.00 C ATOM 1078 O GLY A 69 -17.996 2.886 -5.779 1.00 0.00 O ATOM 0 H GLY A 69 -15.512 1.602 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.323 2.013 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.494 0.722 -8.003 1.00 0.00 H new ATOM 1082 N GLU A 70 -18.860 2.946 -7.862 1.00 0.00 N ATOM 1083 CA GLU A 70 -19.905 3.896 -7.530 1.00 0.00 C ATOM 1084 C GLU A 70 -21.090 3.189 -6.888 1.00 0.00 C ATOM 1085 O GLU A 70 -21.582 2.179 -7.390 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.344 4.674 -8.770 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.461 5.670 -8.505 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.874 6.427 -9.751 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.402 5.788 -10.686 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.667 7.657 -9.796 1.00 0.00 O ATOM 0 H GLU A 70 -18.855 2.649 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.502 4.607 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.484 5.206 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -20.672 3.968 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.325 5.142 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.137 6.380 -7.744 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.537 3.745 -5.771 1.00 0.00 N ATOM 1098 CA LEU A 71 -22.693 3.231 -5.056 1.00 0.00 C ATOM 1099 C LEU A 71 -23.897 4.064 -5.476 1.00 0.00 C ATOM 1100 O LEU A 71 -24.100 5.170 -4.974 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.459 3.313 -3.541 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.715 3.232 -2.676 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.415 1.894 -2.855 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.379 3.470 -1.211 1.00 0.00 C ATOM 0 H LEU A 71 -21.109 4.563 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.866 2.182 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.786 2.506 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -21.947 4.250 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.397 4.017 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.306 1.863 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -24.702 1.770 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.740 1.089 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.289 3.408 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.671 2.714 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -22.936 4.459 -1.095 1.00 0.00 H new ATOM 1116 N ARG A 72 -24.695 3.540 -6.406 1.00 0.00 N ATOM 1117 CA ARG A 72 -25.856 4.279 -6.881 1.00 0.00 C ATOM 1118 C ARG A 72 -26.861 4.457 -5.756 1.00 0.00 C ATOM 1119 O ARG A 72 -27.190 3.520 -5.027 1.00 0.00 O ATOM 1120 CB ARG A 72 -26.501 3.624 -8.102 1.00 0.00 C ATOM 1121 CG ARG A 72 -27.667 4.419 -8.665 1.00 0.00 C ATOM 1122 CD ARG A 72 -28.226 3.783 -9.927 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.288 4.592 -10.518 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.071 4.175 -11.508 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -29.916 2.960 -12.016 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.014 4.975 -11.989 1.00 0.00 N ATOM 0 H ARG A 72 -24.561 2.625 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 72 -25.512 5.262 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.747 3.498 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.848 2.627 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -28.454 4.491 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.342 5.436 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -27.424 3.650 -10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.612 2.791 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.438 5.531 -10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.194 2.341 -11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.519 2.644 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.138 5.909 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.615 4.656 -12.749 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.305 5.705 -5.634 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.258 6.136 -4.619 1.00 0.00 C ATOM 1142 C ASN A 73 -27.509 6.488 -3.342 1.00 0.00 C ATOM 1143 O ASN A 73 -28.108 6.543 -2.268 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.338 5.081 -4.356 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.111 4.717 -5.610 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -29.679 3.660 -6.289 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.091 5.375 -5.961 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.005 6.459 -6.251 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.777 7.021 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -28.873 4.184 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.030 5.455 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.389 6.180 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.605 5.115 -6.803 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.203 6.733 -3.446 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.464 7.083 -2.251 1.00 0.00 C ATOM 1156 C GLY A 74 -24.047 7.575 -2.491 1.00 0.00 C ATOM 1157 O GLY A 74 -23.743 8.190 -3.513 1.00 0.00 O ATOM 0 H GLY A 74 -25.661 6.697 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.015 7.856 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.424 6.211 -1.599 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.191 7.285 -1.515 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.798 7.722 -1.577 1.00 0.00 C ATOM 1163 C GLN A 75 -20.879 6.807 -0.769 1.00 0.00 C ATOM 1164 O GLN A 75 -20.636 7.047 0.414 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.673 9.162 -1.074 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.242 9.674 -1.037 1.00 0.00 C ATOM 1167 CD GLN A 75 -19.591 9.688 -2.406 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -18.973 8.708 -2.822 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -19.727 10.803 -3.114 1.00 0.00 N ATOM 0 H GLN A 75 -23.434 6.754 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.485 7.672 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.266 9.814 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.099 9.226 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.232 10.683 -0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -19.654 9.048 -0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -20.248 11.591 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -19.310 10.872 -4.043 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.390 5.748 -1.414 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.487 4.814 -0.746 1.00 0.00 C ATOM 1180 C VAL A 76 -18.361 5.567 -0.033 1.00 0.00 C ATOM 1181 O VAL A 76 -17.688 6.399 -0.642 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.902 3.779 -1.730 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -18.792 4.363 -3.118 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.557 3.260 -1.246 1.00 0.00 C ATOM 0 H VAL A 76 -20.601 5.518 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.072 4.271 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.586 2.932 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.377 3.616 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -19.781 4.660 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.138 5.235 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.170 2.533 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.857 4.091 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.679 2.784 -0.273 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.156 5.280 1.246 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.106 5.952 2.008 1.00 0.00 C ATOM 1196 C GLU A 77 -15.718 5.522 1.532 1.00 0.00 C ATOM 1197 O GLU A 77 -15.238 4.448 1.889 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.253 5.662 3.501 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.308 6.477 4.369 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.750 7.920 4.519 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.526 8.208 5.454 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.322 8.761 3.701 1.00 0.00 O ATOM 0 H GLU A 77 -18.695 4.594 1.775 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.213 7.024 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.280 5.866 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.073 4.601 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.240 6.018 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.308 6.451 3.935 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.079 6.369 0.728 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.742 6.082 0.209 1.00 0.00 C ATOM 1211 C ILE A 78 -12.784 7.227 0.523 1.00 0.00 C ATOM 1212 O ILE A 78 -13.189 8.388 0.568 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.757 5.839 -1.315 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.606 4.613 -1.656 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.340 5.665 -1.847 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.256 3.378 -0.849 1.00 0.00 C ATOM 0 H ILE A 78 -15.466 7.261 0.421 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.401 5.171 0.701 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.200 6.712 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.657 4.855 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.490 4.387 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.374 5.495 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.761 6.565 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.871 4.811 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.901 2.552 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.215 3.109 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.399 3.584 0.212 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.513 6.894 0.740 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.511 7.903 1.065 1.00 0.00 C ATOM 1230 C LYS A 79 -9.103 7.321 1.070 1.00 0.00 C ATOM 1231 O LYS A 79 -8.155 7.953 0.602 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.804 8.512 2.442 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.806 7.505 3.588 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.972 6.530 3.493 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.176 5.768 4.792 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.327 4.828 4.708 1.00 0.00 N ATOM 0 H LYS A 79 -11.156 5.940 0.697 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.564 8.672 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.061 9.281 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.774 9.007 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.868 6.949 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.856 8.038 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.883 7.075 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.791 5.825 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.270 5.212 5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.343 6.474 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.078 5.139 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.694 4.815 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.015 3.872 4.973 1.00 0.00 H new ATOM 1250 N THR A 80 -8.981 6.117 1.602 1.00 0.00 N ATOM 1251 CA THR A 80 -7.690 5.452 1.713 1.00 0.00 C ATOM 1252 C THR A 80 -7.179 4.921 0.376 1.00 0.00 C ATOM 1253 O THR A 80 -6.320 4.038 0.346 1.00 0.00 O ATOM 1254 CB THR A 80 -7.775 4.297 2.722 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.532 3.214 2.168 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.430 4.775 4.010 1.00 0.00 C ATOM 0 H THR A 80 -9.765 5.575 1.967 1.00 0.00 H new ATOM 0 HA THR A 80 -6.980 6.204 2.058 1.00 0.00 H new ATOM 0 HB THR A 80 -6.765 3.950 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.579 2.482 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.485 3.949 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.839 5.583 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.436 5.136 3.795 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.701 5.455 -0.729 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.267 5.025 -2.061 1.00 0.00 C ATOM 1266 C ASP A 81 -7.512 3.535 -2.260 1.00 0.00 C ATOM 1267 O ASP A 81 -7.076 2.944 -3.249 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.783 5.309 -2.232 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.457 6.787 -2.140 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.536 7.478 -3.177 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.121 7.253 -1.031 1.00 0.00 O ATOM 0 H ASP A 81 -8.419 6.180 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.844 5.579 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.223 4.769 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.453 4.928 -3.198 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.205 2.948 -1.301 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.525 1.527 -1.323 1.00 0.00 C ATOM 1278 C LEU A 82 -7.262 0.687 -1.162 1.00 0.00 C ATOM 1279 O LEU A 82 -6.982 -0.176 -1.989 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.229 1.164 -2.633 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.523 1.930 -2.940 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.230 2.339 -1.660 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.231 3.152 -3.798 1.00 0.00 C ATOM 0 H LEU A 82 -8.563 3.441 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.193 1.314 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.531 1.327 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.457 0.098 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.184 1.265 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.144 2.880 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.480 1.449 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.575 2.982 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.161 3.682 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.546 3.814 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.776 2.837 -4.737 1.00 0.00 H new ATOM 1295 N SER A 83 -6.501 0.940 -0.105 1.00 0.00 N ATOM 1296 CA SER A 83 -5.308 0.150 0.175 1.00 0.00 C ATOM 1297 C SER A 83 -5.653 -0.959 1.172 1.00 0.00 C ATOM 1298 O SER A 83 -6.267 -0.698 2.206 1.00 0.00 O ATOM 1299 CB SER A 83 -4.180 1.032 0.715 1.00 0.00 C ATOM 1300 OG SER A 83 -4.575 1.700 1.900 1.00 0.00 O ATOM 0 H SER A 83 -6.687 1.682 0.570 1.00 0.00 H new ATOM 0 HA SER A 83 -4.957 -0.300 -0.754 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.300 0.420 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.894 1.764 -0.040 1.00 0.00 H new ATOM 0 HG SER A 83 -5.326 1.223 2.310 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.262 -2.192 0.844 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.547 -3.358 1.688 1.00 0.00 C ATOM 1308 C PHE A 84 -5.481 -3.037 3.178 1.00 0.00 C ATOM 1309 O PHE A 84 -4.647 -2.251 3.627 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.586 -4.505 1.364 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.628 -5.630 2.364 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.707 -6.501 2.409 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.590 -5.812 3.265 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.747 -7.529 3.330 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.626 -6.839 4.190 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.706 -7.699 4.221 1.00 0.00 C ATOM 0 H PHE A 84 -4.743 -2.411 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.570 -3.661 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.825 -4.899 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.570 -4.113 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.525 -6.373 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.742 -5.143 3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.593 -8.200 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.811 -6.968 4.887 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.736 -8.503 4.941 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.377 -3.667 3.934 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.426 -3.463 5.367 1.00 0.00 C ATOM 1328 C GLY A 85 -7.199 -2.222 5.760 1.00 0.00 C ATOM 1329 O GLY A 85 -6.695 -1.386 6.510 1.00 0.00 O ATOM 0 H GLY A 85 -7.074 -4.319 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.883 -4.334 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.409 -3.389 5.753 1.00 0.00 H new ATOM 1333 N SER A 86 -8.426 -2.094 5.259 1.00 0.00 N ATOM 1334 CA SER A 86 -9.250 -0.937 5.585 1.00 0.00 C ATOM 1335 C SER A 86 -10.737 -1.233 5.464 1.00 0.00 C ATOM 1336 O SER A 86 -11.159 -2.161 4.775 1.00 0.00 O ATOM 1337 CB SER A 86 -8.899 0.254 4.694 1.00 0.00 C ATOM 1338 OG SER A 86 -7.545 0.638 4.857 1.00 0.00 O ATOM 0 H SER A 86 -8.866 -2.769 4.634 1.00 0.00 H new ATOM 0 HA SER A 86 -9.036 -0.691 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.083 -0.003 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.549 1.095 4.935 1.00 0.00 H new ATOM 0 HG SER A 86 -7.012 0.281 4.116 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.512 -0.419 6.162 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.961 -0.533 6.155 1.00 0.00 C ATOM 1346 C GLN A 87 -13.564 0.697 5.487 1.00 0.00 C ATOM 1347 O GLN A 87 -13.171 1.827 5.782 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.487 -0.701 7.587 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.934 -0.272 7.784 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.055 1.198 8.136 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.269 2.030 7.126 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.971 1.579 9.304 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.156 0.337 6.747 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.255 -1.416 5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.389 -1.748 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.855 -0.124 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.498 -0.473 6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.384 -0.871 8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.806 0.904 10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.067 2.570 9.525 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.500 0.475 4.570 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.150 1.571 3.859 1.00 0.00 C ATOM 1363 C ILE A 88 -16.660 1.497 4.000 1.00 0.00 C ATOM 1364 O ILE A 88 -17.303 0.586 3.477 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.781 1.579 2.363 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.984 0.190 1.755 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.347 2.048 2.176 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.807 0.151 0.253 1.00 0.00 C ATOM 0 H ILE A 88 -14.826 -0.454 4.302 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.790 2.494 4.313 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.439 2.276 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.279 -0.504 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.985 -0.163 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.100 2.049 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.239 3.057 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.672 1.375 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.966 -0.866 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.530 0.819 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.797 0.472 -0.003 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.222 2.459 4.716 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.659 2.507 4.921 1.00 0.00 C ATOM 1382 C GLU A 89 -19.354 2.961 3.649 1.00 0.00 C ATOM 1383 O GLU A 89 -18.753 2.985 2.576 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.005 3.461 6.066 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.013 3.418 7.210 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.362 4.382 8.325 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.140 3.996 9.224 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.859 5.526 8.301 1.00 0.00 O ATOM 0 H GLU A 89 -16.705 3.215 5.164 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.003 1.506 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.056 4.478 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.997 3.215 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.971 2.405 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.018 3.652 6.831 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.622 3.310 3.779 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.411 3.782 2.651 1.00 0.00 C ATOM 1397 C PHE A 90 -22.430 4.803 3.134 1.00 0.00 C ATOM 1398 O PHE A 90 -22.486 5.104 4.327 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.110 2.608 1.966 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.157 1.576 1.436 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.557 1.739 0.196 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.858 0.441 2.176 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.679 0.794 -0.296 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.980 -0.508 1.689 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.390 -0.332 0.451 1.00 0.00 C ATOM 0 H PHE A 90 -21.132 3.275 4.662 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.752 4.257 1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.789 2.135 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.719 2.986 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.780 2.617 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.317 0.298 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.219 0.935 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.755 -1.387 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.704 -1.073 0.068 1.00 0.00 H new ATOM 1415 N SER A 91 -23.236 5.340 2.225 1.00 0.00 N ATOM 1416 CA SER A 91 -24.238 6.323 2.610 1.00 0.00 C ATOM 1417 C SER A 91 -25.330 6.477 1.561 1.00 0.00 C ATOM 1418 O SER A 91 -25.131 7.098 0.522 1.00 0.00 O ATOM 1419 CB SER A 91 -23.590 7.678 2.873 1.00 0.00 C ATOM 1420 OG SER A 91 -22.863 8.127 1.744 1.00 0.00 O ATOM 0 H SER A 91 -23.216 5.115 1.230 1.00 0.00 H new ATOM 0 HA SER A 91 -24.702 5.955 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.358 8.408 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.923 7.604 3.732 1.00 0.00 H new ATOM 0 HG SER A 91 -22.107 7.525 1.581 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.484 5.910 1.867 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.620 6.016 0.959 1.00 0.00 C ATOM 1428 C CYS A 92 -28.250 7.394 1.144 1.00 0.00 C ATOM 1429 O CYS A 92 -28.776 7.704 2.212 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.640 4.903 1.210 1.00 0.00 C ATOM 1431 SG CYS A 92 -27.976 3.216 0.993 1.00 0.00 S ATOM 0 H CYS A 92 -26.661 5.380 2.720 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.280 5.899 -0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.026 5.002 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.483 5.039 0.533 1.00 0.00 H new ATOM 1436 N SER A 93 -28.192 8.219 0.102 1.00 0.00 N ATOM 1437 CA SER A 93 -28.693 9.592 0.168 1.00 0.00 C ATOM 1438 C SER A 93 -30.214 9.696 0.177 1.00 0.00 C ATOM 1439 O SER A 93 -30.933 8.705 0.310 1.00 0.00 O ATOM 1440 CB SER A 93 -28.143 10.403 -1.006 1.00 0.00 C ATOM 1441 OG SER A 93 -28.357 9.731 -2.235 1.00 0.00 O ATOM 0 H SER A 93 -27.801 7.960 -0.804 1.00 0.00 H new ATOM 0 HA SER A 93 -28.344 9.993 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 93 -28.624 11.381 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 93 -27.076 10.577 -0.864 1.00 0.00 H new ATOM 0 HG SER A 93 -27.998 10.271 -2.970 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.669 10.939 0.033 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.084 11.296 0.017 1.00 0.00 C ATOM 1449 C GLU A 94 -32.948 10.295 -0.748 1.00 0.00 C ATOM 1450 O GLU A 94 -32.715 10.021 -1.923 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.241 12.683 -0.608 1.00 0.00 C ATOM 1452 CG GLU A 94 -33.683 13.069 -0.885 1.00 0.00 C ATOM 1453 CD GLU A 94 -33.812 14.460 -1.474 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -33.888 15.431 -0.692 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -33.839 14.579 -2.718 1.00 0.00 O ATOM 0 H GLU A 94 -30.050 11.742 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.431 11.288 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.797 13.424 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -31.680 12.717 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.123 12.346 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.254 13.017 0.042 1.00 0.00 H new ATOM 1462 N GLY A 95 -33.956 9.771 -0.058 1.00 0.00 N ATOM 1463 CA GLY A 95 -34.871 8.830 -0.678 1.00 0.00 C ATOM 1464 C GLY A 95 -34.397 7.393 -0.646 1.00 0.00 C ATOM 1465 O GLY A 95 -35.048 6.526 -1.219 1.00 0.00 O ATOM 0 H GLY A 95 -34.156 9.981 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.836 8.894 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.031 9.125 -1.715 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.281 7.123 0.021 1.00 0.00 N ATOM 1470 CA PHE A 96 -32.767 5.756 0.111 1.00 0.00 C ATOM 1471 C PHE A 96 -31.957 5.558 1.390 1.00 0.00 C ATOM 1472 O PHE A 96 -31.119 6.389 1.738 1.00 0.00 O ATOM 1473 CB PHE A 96 -31.867 5.422 -1.092 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.138 6.223 -2.339 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.137 5.844 -3.223 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -31.384 7.348 -2.633 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -33.381 6.572 -4.372 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -31.623 8.081 -3.780 1.00 0.00 C ATOM 1479 CZ PHE A 96 -32.623 7.693 -4.650 1.00 0.00 C ATOM 0 H PHE A 96 -32.717 7.823 0.504 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.631 5.092 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -30.828 5.574 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -31.981 4.364 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -33.732 4.968 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -30.600 7.656 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -34.163 6.265 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.028 8.956 -3.996 1.00 0.00 H new ATOM 0 HZ PHE A 96 -32.812 8.265 -5.546 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.224 4.457 2.091 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.489 4.129 3.307 1.00 0.00 C ATOM 1491 C PHE A 97 -30.542 2.973 3.011 1.00 0.00 C ATOM 1492 O PHE A 97 -30.637 2.337 1.961 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.443 3.803 4.461 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.240 2.543 4.285 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.382 2.534 3.501 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.860 1.376 4.927 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.131 1.381 3.359 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.605 0.220 4.785 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.743 0.223 4.003 1.00 0.00 C ATOM 0 H PHE A 97 -32.943 3.780 1.837 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.905 4.993 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.864 3.724 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.133 4.637 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.690 3.437 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.974 1.369 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.019 1.386 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.297 -0.686 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.328 -0.678 3.895 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.634 2.701 3.943 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.619 1.673 3.749 1.00 0.00 C ATOM 1511 C LEU A 98 -29.089 0.271 4.133 1.00 0.00 C ATOM 1512 O LEU A 98 -29.731 0.071 5.164 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.368 2.033 4.548 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.120 1.222 4.201 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -26.166 0.750 2.759 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.873 2.050 4.449 1.00 0.00 C ATOM 0 H LEU A 98 -29.581 3.180 4.842 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.401 1.646 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.150 3.090 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.583 1.903 5.609 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.091 0.342 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -25.267 0.175 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -27.045 0.123 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.219 1.613 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.990 1.462 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -24.901 2.945 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.831 2.338 5.499 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.751 -0.692 3.273 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.079 -2.107 3.466 1.00 0.00 C ATOM 1530 C ILE A 99 -28.146 -2.964 2.627 1.00 0.00 C ATOM 1531 O ILE A 99 -27.951 -2.719 1.439 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.511 -2.446 3.007 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.371 -1.193 2.923 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.137 -3.470 3.937 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.533 -1.323 1.966 1.00 0.00 C ATOM 0 H ILE A 99 -28.235 -0.509 2.412 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.980 -2.305 4.533 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.454 -2.877 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.753 -0.957 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.748 -0.354 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.148 -3.698 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.538 -4.381 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.175 -3.067 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.102 -0.394 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.158 -1.529 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.179 -2.141 2.286 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.578 -3.977 3.271 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.648 -4.868 2.602 1.00 0.00 C ATOM 1549 C GLY A 100 -25.454 -5.191 3.474 1.00 0.00 C ATOM 1550 O GLY A 100 -25.260 -6.331 3.898 1.00 0.00 O ATOM 0 H GLY A 100 -27.747 -4.198 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -27.160 -5.791 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -26.307 -4.408 1.675 1.00 0.00 H new ATOM 1554 N SER A 101 -24.662 -4.162 3.734 1.00 0.00 N ATOM 1555 CA SER A 101 -23.464 -4.262 4.555 1.00 0.00 C ATOM 1556 C SER A 101 -22.826 -2.886 4.623 1.00 0.00 C ATOM 1557 O SER A 101 -22.092 -2.490 3.718 1.00 0.00 O ATOM 1558 CB SER A 101 -22.481 -5.277 3.967 1.00 0.00 C ATOM 1559 OG SER A 101 -21.313 -5.376 4.762 1.00 0.00 O ATOM 0 H SER A 101 -24.835 -3.222 3.377 1.00 0.00 H new ATOM 0 HA SER A 101 -23.729 -4.607 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.960 -6.253 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.211 -4.981 2.953 1.00 0.00 H new ATOM 0 HG SER A 101 -20.668 -4.694 4.482 1.00 0.00 H new ATOM 1565 N THR A 102 -23.107 -2.154 5.694 1.00 0.00 N ATOM 1566 CA THR A 102 -22.605 -0.798 5.841 1.00 0.00 C ATOM 1567 C THR A 102 -21.090 -0.754 5.911 1.00 0.00 C ATOM 1568 O THR A 102 -20.493 0.319 5.822 1.00 0.00 O ATOM 1569 CB THR A 102 -23.183 -0.117 7.095 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.688 -0.764 8.275 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.703 -0.168 7.088 1.00 0.00 C ATOM 0 H THR A 102 -23.680 -2.479 6.473 1.00 0.00 H new ATOM 0 HA THR A 102 -22.930 -0.258 4.952 1.00 0.00 H new ATOM 0 HB THR A 102 -22.869 0.927 7.091 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.058 -0.325 9.069 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.088 0.319 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.080 0.347 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.032 -1.207 7.071 1.00 0.00 H new ATOM 1579 N THR A 103 -20.467 -1.908 6.073 1.00 0.00 N ATOM 1580 CA THR A 103 -19.023 -1.972 6.146 1.00 0.00 C ATOM 1581 C THR A 103 -18.465 -2.800 5.003 1.00 0.00 C ATOM 1582 O THR A 103 -19.141 -3.680 4.471 1.00 0.00 O ATOM 1583 CB THR A 103 -18.565 -2.548 7.485 1.00 0.00 C ATOM 1584 OG1 THR A 103 -19.168 -3.828 7.709 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.925 -1.599 8.615 1.00 0.00 C ATOM 0 H THR A 103 -20.939 -2.809 6.156 1.00 0.00 H new ATOM 0 HA THR A 103 -18.640 -0.955 6.062 1.00 0.00 H new ATOM 0 HB THR A 103 -17.482 -2.670 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.865 -4.186 8.569 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.593 -2.021 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.435 -0.639 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.005 -1.456 8.639 1.00 0.00 H new ATOM 1593 N SER A 104 -17.225 -2.513 4.631 1.00 0.00 N ATOM 1594 CA SER A 104 -16.541 -3.253 3.587 1.00 0.00 C ATOM 1595 C SER A 104 -15.054 -3.312 3.918 1.00 0.00 C ATOM 1596 O SER A 104 -14.386 -2.281 3.988 1.00 0.00 O ATOM 1597 CB SER A 104 -16.766 -2.607 2.219 1.00 0.00 C ATOM 1598 OG SER A 104 -18.097 -2.802 1.778 1.00 0.00 O ATOM 0 H SER A 104 -16.670 -1.764 5.044 1.00 0.00 H new ATOM 0 HA SER A 104 -16.945 -4.264 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.551 -1.540 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.073 -3.033 1.494 1.00 0.00 H new ATOM 0 HG SER A 104 -18.437 -1.970 1.387 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.538 -4.517 4.123 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.132 -4.712 4.475 1.00 0.00 C ATOM 1606 C ARG A 105 -12.331 -5.220 3.283 1.00 0.00 C ATOM 1607 O ARG A 105 -12.873 -5.416 2.196 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.009 -5.700 5.635 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.815 -5.304 6.861 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.575 -6.261 8.017 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.436 -5.967 9.159 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.536 -6.750 10.229 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.825 -7.867 10.305 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -15.345 -6.416 11.224 1.00 0.00 N ATOM 0 H ARG A 105 -15.074 -5.382 4.052 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.727 -3.746 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.335 -6.684 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.959 -5.790 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.546 -4.292 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.876 -5.291 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.752 -7.284 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.531 -6.202 8.325 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.992 -5.112 9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.200 -8.127 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.903 -8.466 11.127 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.892 -5.557 11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.420 -7.018 12.044 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.042 -5.451 3.504 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.164 -5.925 2.446 1.00 0.00 C ATOM 1630 C CYS A 106 -9.499 -7.241 2.820 1.00 0.00 C ATOM 1631 O CYS A 106 -8.697 -7.307 3.750 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.089 -4.882 2.131 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.611 -3.598 0.951 1.00 0.00 S ATOM 0 H CYS A 106 -10.584 -5.317 4.406 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.781 -6.089 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.783 -4.402 3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.212 -5.391 1.731 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.852 -8.284 2.086 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.336 -9.612 2.330 1.00 0.00 C ATOM 1640 C GLU A 107 -8.449 -10.041 1.174 1.00 0.00 C ATOM 1641 O GLU A 107 -8.569 -9.525 0.064 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.507 -10.583 2.509 1.00 0.00 C ATOM 1643 CG GLU A 107 -10.105 -12.048 2.545 1.00 0.00 C ATOM 1644 CD GLU A 107 -11.275 -12.965 2.844 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -11.951 -13.397 1.887 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -11.515 -13.252 4.036 1.00 0.00 O ATOM 0 H GLU A 107 -10.505 -8.229 1.305 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.735 -9.615 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.028 -10.339 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.216 -10.433 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.667 -12.325 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.333 -12.191 3.301 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.564 -10.986 1.432 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.662 -11.448 0.395 1.00 0.00 C ATOM 1655 C VAL A 108 -6.841 -12.924 0.077 1.00 0.00 C ATOM 1656 O VAL A 108 -6.772 -13.786 0.953 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.195 -11.179 0.756 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.284 -11.756 -0.308 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.949 -9.694 0.893 1.00 0.00 C ATOM 0 H VAL A 108 -7.451 -11.443 2.337 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.922 -10.875 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.979 -11.659 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.245 -11.560 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.444 -12.832 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.507 -11.292 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.904 -9.520 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.178 -9.199 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.587 -9.290 1.679 1.00 0.00 H new ATOM 1669 N GLN A 109 -7.068 -13.186 -1.202 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.243 -14.543 -1.690 1.00 0.00 C ATOM 1671 C GLN A 109 -6.256 -14.837 -2.814 1.00 0.00 C ATOM 1672 O GLN A 109 -6.360 -14.276 -3.905 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.681 -14.742 -2.170 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.161 -13.655 -3.119 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.590 -13.871 -3.577 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.839 -14.525 -4.589 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.541 -13.318 -2.831 1.00 0.00 N ATOM 0 H GLN A 109 -7.135 -12.469 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.046 -15.239 -0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.759 -15.708 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.343 -14.776 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.084 -12.686 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.505 -13.622 -3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.290 -12.783 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.521 -13.428 -3.090 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.299 -15.721 -2.540 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.288 -16.076 -3.525 1.00 0.00 C ATOM 1688 C ASP A 110 -3.586 -14.821 -4.035 1.00 0.00 C ATOM 1689 O ASP A 110 -3.305 -13.903 -3.263 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.933 -16.838 -4.683 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.382 -18.229 -4.283 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -6.540 -18.372 -3.837 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.578 -19.175 -4.418 1.00 0.00 O ATOM 0 H ASP A 110 -5.205 -16.202 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.544 -16.720 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.790 -16.275 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.222 -16.912 -5.506 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.299 -14.783 -5.332 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.648 -13.638 -5.941 1.00 0.00 C ATOM 1700 C ARG A 111 -3.618 -12.466 -6.077 1.00 0.00 C ATOM 1701 O ARG A 111 -3.461 -11.618 -6.955 1.00 0.00 O ATOM 1702 CB ARG A 111 -2.100 -14.032 -7.312 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.853 -14.901 -7.250 1.00 0.00 C ATOM 1704 CD ARG A 111 -1.139 -16.263 -6.637 1.00 0.00 C ATOM 1705 NE ARG A 111 -2.161 -16.997 -7.378 1.00 0.00 N ATOM 1706 CZ ARG A 111 -2.475 -18.267 -7.140 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -1.847 -18.941 -6.184 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -3.417 -18.865 -7.856 1.00 0.00 N ATOM 0 H ARG A 111 -3.510 -15.540 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.826 -13.321 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.875 -14.565 -7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.873 -13.127 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.452 -15.033 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.086 -14.394 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.220 -16.849 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.463 -16.134 -5.604 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.662 -16.508 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.122 -18.485 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.090 -19.915 -6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.902 -18.351 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.656 -19.839 -7.672 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.616 -12.423 -5.198 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.593 -11.356 -5.233 1.00 0.00 C ATOM 1724 C GLY A 112 -5.860 -10.792 -3.864 1.00 0.00 C ATOM 1725 O GLY A 112 -5.686 -11.474 -2.856 1.00 0.00 O ATOM 0 H GLY A 112 -4.763 -13.112 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.239 -10.561 -5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.524 -11.730 -5.659 1.00 0.00 H new ATOM 1729 N VAL A 113 -6.287 -9.543 -3.829 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.549 -8.874 -2.572 1.00 0.00 C ATOM 1731 C VAL A 113 -7.561 -7.758 -2.722 1.00 0.00 C ATOM 1732 O VAL A 113 -7.771 -7.220 -3.810 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.245 -8.273 -2.001 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.349 -7.799 -3.130 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.524 -7.136 -1.029 1.00 0.00 C ATOM 0 H VAL A 113 -6.459 -8.973 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.953 -9.626 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.733 -9.059 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.433 -7.377 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.101 -8.641 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.868 -7.037 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.581 -6.741 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.069 -6.344 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.122 -7.507 -0.197 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.182 -7.427 -1.609 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.110 -6.330 -1.640 1.00 0.00 C ATOM 1747 C GLY A 114 -10.474 -6.615 -1.054 1.00 0.00 C ATOM 1748 O GLY A 114 -10.670 -7.596 -0.343 1.00 0.00 O ATOM 0 H GLY A 114 -8.065 -7.886 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.671 -5.490 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.237 -6.014 -2.675 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.424 -5.748 -1.385 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.786 -5.842 -0.869 1.00 0.00 C ATOM 1754 C TRP A 115 -13.469 -7.141 -1.277 1.00 0.00 C ATOM 1755 O TRP A 115 -13.240 -7.665 -2.367 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.627 -4.659 -1.354 1.00 0.00 C ATOM 1757 CG TRP A 115 -12.891 -3.355 -1.346 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.421 -2.680 -2.432 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.539 -2.570 -0.202 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -11.796 -1.523 -2.035 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -11.855 -1.433 -0.671 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -12.735 -2.718 1.172 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -11.368 -0.451 0.187 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.249 -1.744 2.022 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -11.573 -0.623 1.527 1.00 0.00 C ATOM 0 H TRP A 115 -11.273 -4.962 -2.017 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.711 -5.824 0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.976 -4.863 -2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.512 -4.571 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.525 -3.007 -3.456 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -11.359 -0.842 -2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.257 -3.579 1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -10.847 0.415 -0.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.393 -1.849 3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -11.206 0.121 2.218 1.00 0.00 H new ATOM 1776 N SER A 116 -14.312 -7.648 -0.383 1.00 0.00 N ATOM 1777 CA SER A 116 -15.065 -8.867 -0.638 1.00 0.00 C ATOM 1778 C SER A 116 -16.493 -8.510 -1.040 1.00 0.00 C ATOM 1779 O SER A 116 -17.184 -9.287 -1.700 1.00 0.00 O ATOM 1780 CB SER A 116 -15.077 -9.757 0.606 1.00 0.00 C ATOM 1781 OG SER A 116 -15.630 -9.074 1.717 1.00 0.00 O ATOM 0 H SER A 116 -14.490 -7.229 0.530 1.00 0.00 H new ATOM 0 HA SER A 116 -14.588 -9.415 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.655 -10.659 0.406 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.061 -10.074 0.840 1.00 0.00 H new ATOM 0 HG SER A 116 -15.628 -9.665 2.499 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.922 -7.315 -0.631 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.260 -6.815 -0.936 1.00 0.00 C ATOM 1789 C HIS A 117 -18.232 -5.296 -1.120 1.00 0.00 C ATOM 1790 O HIS A 117 -17.833 -4.566 -0.213 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.237 -7.182 0.185 1.00 0.00 C ATOM 1792 CG HIS A 117 -19.476 -8.653 0.322 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.480 -9.318 -0.350 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -18.836 -9.590 1.061 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -20.450 -10.599 -0.029 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -19.462 -10.790 0.824 1.00 0.00 N ATOM 0 H HIS A 117 -16.354 -6.670 -0.082 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.595 -7.279 -1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.853 -6.797 1.129 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.189 -6.684 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -17.992 -9.425 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.120 -11.360 -0.401 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.204 -11.685 1.241 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.654 -4.799 -2.298 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.666 -3.374 -2.601 1.00 0.00 C ATOM 1807 C PRO A 118 -20.005 -2.708 -2.296 1.00 0.00 C ATOM 1808 O PRO A 118 -20.719 -3.114 -1.379 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.392 -3.370 -4.101 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.008 -4.636 -4.615 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.144 -5.583 -3.441 1.00 0.00 C ATOM 0 HA PRO A 118 -17.949 -2.813 -2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.832 -2.495 -4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.322 -3.341 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.982 -4.435 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.386 -5.077 -5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.178 -5.896 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.555 -6.488 -3.587 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.321 -1.672 -3.073 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.558 -0.911 -2.923 1.00 0.00 C ATOM 1821 C LEU A 119 -22.728 -1.805 -2.508 1.00 0.00 C ATOM 1822 O LEU A 119 -23.050 -2.777 -3.190 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.901 -0.194 -4.233 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.715 0.179 -5.136 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.572 0.776 -4.326 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.245 -1.030 -5.935 1.00 0.00 C ATOM 0 H LEU A 119 -19.722 -1.337 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.395 -0.177 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.579 -0.829 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.447 0.718 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.054 0.940 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -18.748 1.030 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -19.918 1.676 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.231 0.050 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.405 -0.744 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -19.932 -1.819 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.062 -1.394 -6.559 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.377 -1.478 -1.376 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.519 -2.238 -0.863 1.00 0.00 C ATOM 1840 C PRO A 120 -25.798 -1.927 -1.630 1.00 0.00 C ATOM 1841 O PRO A 120 -25.747 -1.446 -2.763 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.631 -1.760 0.581 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.116 -0.364 0.548 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.045 -0.335 -0.506 1.00 0.00 C ATOM 0 HA PRO A 120 -24.381 -3.315 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.662 -1.795 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.043 -2.385 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.914 0.339 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.714 -0.075 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.053 0.604 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.052 -0.439 -0.070 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.946 -2.200 -1.015 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.234 -1.954 -1.642 1.00 0.00 C ATOM 1854 C GLN A 121 -28.961 -0.776 -0.998 1.00 0.00 C ATOM 1855 O GLN A 121 -29.336 -0.832 0.173 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.101 -3.204 -1.529 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.961 -4.159 -2.702 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.764 -5.429 -2.510 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.260 -6.424 -1.991 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -31.026 -5.400 -2.924 1.00 0.00 N ATOM 0 H GLN A 121 -27.006 -2.594 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.055 -1.709 -2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.843 -3.732 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.145 -2.903 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.287 -3.660 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.910 -4.414 -2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.404 -4.553 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.617 -6.224 -2.817 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.159 0.287 -1.771 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.876 1.456 -1.275 1.00 0.00 C ATOM 1871 C CYS A 122 -31.316 1.405 -1.775 1.00 0.00 C ATOM 1872 O CYS A 122 -31.581 1.701 -2.941 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.208 2.754 -1.746 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.582 3.094 -0.995 1.00 0.00 S ATOM 0 H CYS A 122 -28.836 0.363 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.857 1.444 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.091 2.713 -2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -29.875 3.589 -1.529 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.248 1.023 -0.901 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.644 0.937 -1.320 1.00 0.00 C ATOM 1881 C GLU A 123 -34.204 2.336 -1.545 1.00 0.00 C ATOM 1882 O GLU A 123 -33.577 3.160 -2.206 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.485 0.130 -0.326 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.814 -0.346 -0.891 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.562 -1.254 0.065 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -37.153 -0.737 1.036 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.556 -2.484 -0.157 1.00 0.00 O ATOM 0 H GLU A 123 -32.069 0.775 0.072 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.691 0.397 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.910 -0.735 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.674 0.742 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.435 0.518 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -35.638 -0.876 -1.827 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.388 2.601 -1.001 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.040 3.885 -1.184 1.00 0.00 C ATOM 1896 C ILE A 124 -37.072 4.134 -0.087 1.00 0.00 C ATOM 1897 O ILE A 124 -37.986 3.335 0.118 1.00 0.00 O ATOM 1898 CB ILE A 124 -36.710 3.971 -2.570 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -37.275 5.375 -2.806 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -37.802 2.921 -2.708 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.582 5.666 -4.258 1.00 0.00 C ATOM 0 H ILE A 124 -35.913 1.939 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.273 4.657 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 124 -35.953 3.773 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.186 5.495 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -36.560 6.112 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -38.261 3.000 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.369 1.928 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.560 3.081 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -37.978 6.677 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.669 5.579 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -38.320 4.952 -4.624 1.00 0.00 H new ATOM 1913 N LEU A 125 -36.910 5.243 0.627 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.822 5.599 1.708 1.00 0.00 C ATOM 1915 C LEU A 125 -39.242 5.786 1.179 1.00 0.00 C ATOM 1916 O LEU A 125 -40.204 5.799 1.947 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.340 6.873 2.406 1.00 0.00 C ATOM 1918 CG LEU A 125 -35.881 6.840 2.878 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -35.481 8.185 3.467 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.667 5.727 3.894 1.00 0.00 C ATOM 0 H LEU A 125 -36.155 5.912 0.476 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.834 4.784 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.467 7.713 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -37.981 7.062 3.267 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.247 6.639 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -34.443 8.144 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -35.590 8.961 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.123 8.415 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.625 5.722 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.312 5.893 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.911 4.767 3.439 1.00 0.00 H new