USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1000 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 28 THR OG1 : rot -17:sc= 0.733 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 163:sc= -0.138 (180deg=-0.663) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN :FLIP amide:sc= -9.69! C(o=-11!,f=-9.7!) 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 39:sc= 0.813 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= -2.32! (180deg=-5.1!) USER MOD Single : A 25 THR OG1 : rot -98:sc= 1.51 USER MOD Single : A 27 THR OG1 : rot -140:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0607) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.622! USER MOD Single : A 37 TYR OH : rot 57:sc= 0.13 USER MOD Single : A 40 SER OG : rot -41:sc= 0.565 USER MOD Single : A 41 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 42 SER OG : rot -7:sc= 0.817 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -2.23! C(o=-3.9!,f=-2.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -9.27! C(o=-10!,f=-9.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.324 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+ 157:sc= -0.0223 (180deg=-1.04) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.95 F(o=-1.6,f=-0.95) USER MOD Single : A 73 ASN :FLIP amide:sc= -1.5! C(o=-3.6!,f=-1.5!) USER MOD Single : A 75 GLN : amide:sc= -0.0451 K(o=-0.045,f=-0.91) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -4.33! (180deg=-5.42!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 75:sc= 0.156 USER MOD Single : A 86 SER OG : rot -90:sc= 0.94 USER MOD Single : A 87 GLN :FLIP amide:sc= -3.18 F(o=-9!,f=-3.2) USER MOD Single : A 91 SER OG : rot -17:sc= 0.571 USER MOD Single : A 93 SER OG : rot 69:sc= 1.63 USER MOD Single : A 101 SER OG : rot -86:sc= 1.29 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 131:sc= 1.63 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.729 F(o=-2.8!,f=-0.73) USER MOD Single : A 116 SER OG : rot -85:sc= 1.1 USER MOD Single : A 117 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.31) USER MOD Single : A 121 GLN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.679 F(o=-1.5,f=-0.68) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.01) USER MOD Single : A 132 HIS : no HD1:sc=-0.00867 X(o=-0.0087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 32.822 -4.726 -2.427 1.00 0.00 N ATOM 2 CA MET A 0 32.427 -4.116 -1.131 1.00 0.00 C ATOM 3 C MET A 0 31.289 -3.117 -1.324 1.00 0.00 C ATOM 4 O MET A 0 30.134 -3.409 -1.012 1.00 0.00 O ATOM 5 CB MET A 0 33.627 -3.420 -0.488 1.00 0.00 C ATOM 6 CG MET A 0 33.302 -2.729 0.826 1.00 0.00 C ATOM 7 SD MET A 0 32.600 -3.853 2.047 1.00 0.00 S ATOM 8 CE MET A 0 33.879 -5.103 2.135 1.00 0.00 C ATOM 0 H1 MET A 0 33.597 -5.402 -2.271 1.00 0.00 H new ATOM 0 H2 MET A 0 32.007 -5.223 -2.839 1.00 0.00 H new ATOM 0 H3 MET A 0 33.139 -3.981 -3.079 1.00 0.00 H new ATOM 0 HA MET A 0 32.079 -4.912 -0.473 1.00 0.00 H new ATOM 0 HB2 MET A 0 34.413 -4.155 -0.317 1.00 0.00 H new ATOM 0 HB3 MET A 0 34.026 -2.684 -1.186 1.00 0.00 H new ATOM 0 HG2 MET A 0 34.210 -2.281 1.230 1.00 0.00 H new ATOM 0 HG3 MET A 0 32.600 -1.916 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 0 33.748 -5.694 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 0 33.812 -5.755 1.264 1.00 0.00 H new ATOM 0 HE3 MET A 0 34.857 -4.622 2.154 1.00 0.00 H new ATOM 20 N ASN A 1 31.624 -1.940 -1.840 1.00 0.00 N ATOM 21 CA ASN A 1 30.633 -0.897 -2.076 1.00 0.00 C ATOM 22 C ASN A 1 29.677 -1.289 -3.196 1.00 0.00 C ATOM 23 O ASN A 1 30.026 -2.077 -4.076 1.00 0.00 O ATOM 24 CB ASN A 1 31.324 0.425 -2.418 1.00 0.00 C ATOM 25 CG ASN A 1 31.701 1.216 -1.180 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.919 1.054 -0.122 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.682 1.958 -1.177 1.00 0.00 N flip ATOM 0 H ASN A 1 32.576 -1.684 -2.103 1.00 0.00 H new ATOM 0 HA ASN A 1 30.054 -0.772 -1.161 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.221 0.223 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.664 1.026 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.254 2.050 -2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.923 2.481 -0.335 1.00 0.00 H new ATOM 34 N CYS A 2 28.472 -0.732 -3.155 1.00 0.00 N ATOM 35 CA CYS A 2 27.465 -1.023 -4.167 1.00 0.00 C ATOM 36 C CYS A 2 27.299 0.153 -5.119 1.00 0.00 C ATOM 37 O CYS A 2 27.866 1.224 -4.895 1.00 0.00 O ATOM 38 CB CYS A 2 26.124 -1.344 -3.508 1.00 0.00 C ATOM 39 SG CYS A 2 26.234 -2.527 -2.130 1.00 0.00 S ATOM 0 H CYS A 2 28.170 -0.078 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 2 27.801 -1.890 -4.736 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.681 -0.418 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.448 -1.745 -4.263 1.00 0.00 H new ATOM 44 N GLY A 3 26.522 -0.040 -6.177 1.00 0.00 N ATOM 45 CA GLY A 3 26.263 1.049 -7.097 1.00 0.00 C ATOM 46 C GLY A 3 25.301 2.054 -6.487 1.00 0.00 C ATOM 47 O GLY A 3 24.525 1.693 -5.602 1.00 0.00 O ATOM 0 H GLY A 3 26.070 -0.923 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.199 1.545 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 3 25.846 0.656 -8.024 1.00 0.00 H new ATOM 51 N PRO A 4 25.331 3.324 -6.930 1.00 0.00 N ATOM 52 CA PRO A 4 24.446 4.366 -6.401 1.00 0.00 C ATOM 53 C PRO A 4 23.032 3.854 -6.124 1.00 0.00 C ATOM 54 O PRO A 4 22.472 3.100 -6.920 1.00 0.00 O ATOM 55 CB PRO A 4 24.450 5.399 -7.523 1.00 0.00 C ATOM 56 CG PRO A 4 25.826 5.300 -8.091 1.00 0.00 C ATOM 57 CD PRO A 4 26.223 3.848 -7.982 1.00 0.00 C ATOM 0 HA PRO A 4 24.781 4.753 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.691 5.178 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.244 6.401 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.843 5.631 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.521 5.936 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.082 3.322 -8.926 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.273 3.738 -7.709 1.00 0.00 H new ATOM 65 N PRO A 5 22.442 4.260 -4.982 1.00 0.00 N ATOM 66 CA PRO A 5 21.099 3.829 -4.582 1.00 0.00 C ATOM 67 C PRO A 5 20.078 3.890 -5.717 1.00 0.00 C ATOM 68 O PRO A 5 19.694 4.973 -6.160 1.00 0.00 O ATOM 69 CB PRO A 5 20.732 4.820 -3.478 1.00 0.00 C ATOM 70 CG PRO A 5 22.038 5.188 -2.867 1.00 0.00 C ATOM 71 CD PRO A 5 23.039 5.176 -3.990 1.00 0.00 C ATOM 0 HA PRO A 5 21.091 2.785 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.221 5.694 -3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.063 4.370 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.987 6.172 -2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.318 4.479 -2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.188 6.173 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.014 4.822 -3.654 1.00 0.00 H new ATOM 79 N PRO A 6 19.634 2.718 -6.206 1.00 0.00 N ATOM 80 CA PRO A 6 18.637 2.633 -7.279 1.00 0.00 C ATOM 81 C PRO A 6 17.327 3.290 -6.875 1.00 0.00 C ATOM 82 O PRO A 6 17.183 3.839 -5.783 1.00 0.00 O ATOM 83 CB PRO A 6 18.428 1.123 -7.472 1.00 0.00 C ATOM 84 CG PRO A 6 18.984 0.480 -6.246 1.00 0.00 C ATOM 85 CD PRO A 6 20.072 1.388 -5.754 1.00 0.00 C ATOM 0 HA PRO A 6 18.967 3.144 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.371 0.886 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.939 0.768 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.211 0.353 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.376 -0.512 -6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.172 1.345 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.041 1.119 -6.175 1.00 0.00 H new ATOM 93 N THR A 7 16.374 3.206 -7.798 1.00 0.00 N ATOM 94 CA THR A 7 15.050 3.771 -7.600 1.00 0.00 C ATOM 95 C THR A 7 14.090 2.685 -7.136 1.00 0.00 C ATOM 96 O THR A 7 14.051 1.597 -7.713 1.00 0.00 O ATOM 97 CB THR A 7 14.520 4.415 -8.894 1.00 0.00 C ATOM 98 OG1 THR A 7 13.271 5.070 -8.644 1.00 0.00 O ATOM 99 CG2 THR A 7 14.342 3.374 -9.991 1.00 0.00 C ATOM 0 H THR A 7 16.500 2.746 -8.700 1.00 0.00 H new ATOM 0 HA THR A 7 15.122 4.547 -6.838 1.00 0.00 H new ATOM 0 HB THR A 7 15.253 5.148 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.944 5.478 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.967 3.857 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.301 2.902 -10.204 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.630 2.617 -9.662 1.00 0.00 H new ATOM 107 N LEU A 8 13.327 2.964 -6.088 1.00 0.00 N ATOM 108 CA LEU A 8 12.374 1.989 -5.583 1.00 0.00 C ATOM 109 C LEU A 8 10.946 2.435 -5.848 1.00 0.00 C ATOM 110 O LEU A 8 10.471 3.403 -5.256 1.00 0.00 O ATOM 111 CB LEU A 8 12.573 1.767 -4.083 1.00 0.00 C ATOM 112 CG LEU A 8 13.978 1.324 -3.673 1.00 0.00 C ATOM 113 CD1 LEU A 8 13.984 0.849 -2.228 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.487 0.231 -4.598 1.00 0.00 C ATOM 0 H LEU A 8 13.349 3.847 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 8 12.551 1.051 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.334 2.693 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.859 1.016 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 8 14.647 2.180 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.991 0.537 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.664 1.662 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.301 0.007 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.488 -0.070 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.818 -0.628 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.520 0.606 -5.621 1.00 0.00 H new ATOM 126 N SER A 9 10.262 1.728 -6.741 1.00 0.00 N ATOM 127 CA SER A 9 8.880 2.049 -7.058 1.00 0.00 C ATOM 128 C SER A 9 7.973 1.545 -5.947 1.00 0.00 C ATOM 129 O SER A 9 6.754 1.701 -6.001 1.00 0.00 O ATOM 130 CB SER A 9 8.472 1.430 -8.396 1.00 0.00 C ATOM 131 OG SER A 9 8.510 0.014 -8.338 1.00 0.00 O ATOM 0 H SER A 9 10.642 0.933 -7.255 1.00 0.00 H new ATOM 0 HA SER A 9 8.781 3.131 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.467 1.759 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.140 1.783 -9.182 1.00 0.00 H new ATOM 0 HG SER A 9 8.243 -0.356 -9.205 1.00 0.00 H new ATOM 137 N PHE A 10 8.590 0.924 -4.948 1.00 0.00 N ATOM 138 CA PHE A 10 7.871 0.404 -3.797 1.00 0.00 C ATOM 139 C PHE A 10 8.373 1.086 -2.531 1.00 0.00 C ATOM 140 O PHE A 10 8.507 0.458 -1.481 1.00 0.00 O ATOM 141 CB PHE A 10 8.029 -1.115 -3.691 1.00 0.00 C ATOM 142 CG PHE A 10 9.446 -1.589 -3.827 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.043 -1.681 -5.074 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.180 -1.946 -2.709 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.348 -2.118 -5.202 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.484 -2.385 -2.831 1.00 0.00 C ATOM 147 CZ PHE A 10 12.068 -2.471 -4.079 1.00 0.00 C ATOM 0 H PHE A 10 9.598 0.769 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 10 6.809 0.618 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.636 -1.445 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.422 -1.588 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.482 -1.408 -5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.728 -1.881 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.803 -2.183 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.046 -2.661 -1.951 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.087 -2.814 -4.176 1.00 0.00 H new ATOM 157 N ALA A 11 8.612 2.391 -2.660 1.00 0.00 N ATOM 158 CA ALA A 11 9.107 3.237 -1.577 1.00 0.00 C ATOM 159 C ALA A 11 9.702 4.510 -2.168 1.00 0.00 C ATOM 160 O ALA A 11 9.530 4.821 -3.346 1.00 0.00 O ATOM 161 CB ALA A 11 10.135 2.513 -0.719 1.00 0.00 C ATOM 0 H ALA A 11 8.465 2.897 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 11 8.270 3.490 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.478 3.176 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.681 1.625 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.983 2.219 -1.338 1.00 0.00 H new ATOM 167 N ALA A 12 10.398 5.237 -1.302 1.00 0.00 N ATOM 168 CA ALA A 12 11.018 6.493 -1.706 1.00 0.00 C ATOM 169 C ALA A 12 12.045 6.952 -0.673 1.00 0.00 C ATOM 170 O ALA A 12 11.798 6.873 0.528 1.00 0.00 O ATOM 171 CB ALA A 12 9.963 7.565 -1.924 1.00 0.00 C ATOM 0 H ALA A 12 10.546 4.982 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 12 11.538 6.325 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.446 8.495 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.274 7.244 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.411 7.726 -0.998 1.00 0.00 H new ATOM 177 N PRO A 13 13.215 7.440 -1.127 1.00 0.00 N ATOM 178 CA PRO A 13 14.278 7.903 -0.228 1.00 0.00 C ATOM 179 C PRO A 13 13.745 8.855 0.835 1.00 0.00 C ATOM 180 O PRO A 13 12.787 9.591 0.598 1.00 0.00 O ATOM 181 CB PRO A 13 15.246 8.626 -1.166 1.00 0.00 C ATOM 182 CG PRO A 13 15.040 7.978 -2.493 1.00 0.00 C ATOM 183 CD PRO A 13 13.586 7.594 -2.547 1.00 0.00 C ATOM 0 HA PRO A 13 14.740 7.085 0.325 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.033 9.694 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.277 8.520 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.293 8.661 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.679 7.102 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.987 8.361 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.436 6.669 -3.103 1.00 0.00 H new ATOM 191 N MET A 14 14.373 8.836 2.009 1.00 0.00 N ATOM 192 CA MET A 14 13.943 9.693 3.108 1.00 0.00 C ATOM 193 C MET A 14 15.085 9.987 4.076 1.00 0.00 C ATOM 194 O MET A 14 15.036 10.962 4.828 1.00 0.00 O ATOM 195 CB MET A 14 12.777 9.033 3.851 1.00 0.00 C ATOM 196 CG MET A 14 12.271 9.836 5.037 1.00 0.00 C ATOM 197 SD MET A 14 10.911 9.024 5.896 1.00 0.00 S ATOM 198 CE MET A 14 10.632 10.166 7.247 1.00 0.00 C ATOM 0 H MET A 14 15.174 8.242 2.221 1.00 0.00 H new ATOM 0 HA MET A 14 13.618 10.644 2.686 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.955 8.878 3.152 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.091 8.049 4.198 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.091 10.000 5.736 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.944 10.817 4.693 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.816 9.800 7.870 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.538 10.248 7.847 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.371 11.146 6.847 1.00 0.00 H new ATOM 208 N ASP A 15 16.112 9.148 4.051 1.00 0.00 N ATOM 209 CA ASP A 15 17.259 9.323 4.936 1.00 0.00 C ATOM 210 C ASP A 15 18.468 8.555 4.424 1.00 0.00 C ATOM 211 O ASP A 15 18.626 7.366 4.701 1.00 0.00 O ATOM 212 CB ASP A 15 16.908 8.856 6.345 1.00 0.00 C ATOM 213 CG ASP A 15 17.990 9.185 7.354 1.00 0.00 C ATOM 214 OD1 ASP A 15 17.993 10.321 7.872 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.834 8.306 7.627 1.00 0.00 O ATOM 0 H ASP A 15 16.176 8.341 3.430 1.00 0.00 H new ATOM 0 HA ASP A 15 17.511 10.383 4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.973 9.322 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.740 7.779 6.336 1.00 0.00 H new ATOM 220 N ILE A 16 19.318 9.242 3.672 1.00 0.00 N ATOM 221 CA ILE A 16 20.505 8.629 3.112 1.00 0.00 C ATOM 222 C ILE A 16 21.421 9.669 2.499 1.00 0.00 C ATOM 223 O ILE A 16 22.604 9.416 2.265 1.00 0.00 O ATOM 224 CB ILE A 16 20.107 7.615 2.032 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.327 7.115 1.262 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.091 8.232 1.088 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.250 6.254 2.092 1.00 0.00 C ATOM 0 H ILE A 16 19.203 10.228 3.438 1.00 0.00 H new ATOM 0 HA ILE A 16 21.036 8.127 3.921 1.00 0.00 H new ATOM 0 HB ILE A 16 19.654 6.754 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 16 20.992 6.545 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.884 7.972 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.815 7.504 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.203 8.524 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.524 9.111 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.095 5.934 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.614 6.828 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.708 5.378 2.449 1.00 0.00 H new ATOM 239 N THR A 17 20.865 10.846 2.276 1.00 0.00 N ATOM 240 CA THR A 17 21.592 11.938 1.647 1.00 0.00 C ATOM 241 C THR A 17 22.307 11.437 0.407 1.00 0.00 C ATOM 242 O THR A 17 23.386 10.849 0.489 1.00 0.00 O ATOM 243 CB THR A 17 22.617 12.596 2.581 1.00 0.00 C ATOM 244 OG1 THR A 17 23.382 11.601 3.271 1.00 0.00 O ATOM 245 CG2 THR A 17 21.933 13.511 3.586 1.00 0.00 C ATOM 0 H THR A 17 19.902 11.073 2.524 1.00 0.00 H new ATOM 0 HA THR A 17 20.851 12.694 1.388 1.00 0.00 H new ATOM 0 HB THR A 17 23.288 13.197 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.581 10.860 2.661 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.683 13.964 4.235 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.392 14.294 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.234 12.931 4.189 1.00 0.00 H new ATOM 253 N LEU A 18 21.702 11.675 -0.742 1.00 0.00 N ATOM 254 CA LEU A 18 22.259 11.227 -1.997 1.00 0.00 C ATOM 255 C LEU A 18 23.434 12.096 -2.433 1.00 0.00 C ATOM 256 O LEU A 18 23.616 12.362 -3.622 1.00 0.00 O ATOM 257 CB LEU A 18 21.175 11.234 -3.066 1.00 0.00 C ATOM 258 CG LEU A 18 20.484 9.888 -3.291 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.507 8.825 -3.664 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.708 9.470 -2.052 1.00 0.00 C ATOM 0 H LEU A 18 20.820 12.179 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 18 22.634 10.213 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.421 11.972 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.616 11.562 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 18 19.779 9.995 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.001 7.872 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.020 9.119 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.234 8.721 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.224 8.510 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.392 9.378 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.951 10.221 -1.826 1.00 0.00 H new ATOM 272 N THR A 19 24.229 12.526 -1.466 1.00 0.00 N ATOM 273 CA THR A 19 25.389 13.362 -1.740 1.00 0.00 C ATOM 274 C THR A 19 26.633 12.504 -1.928 1.00 0.00 C ATOM 275 O THR A 19 27.713 13.011 -2.233 1.00 0.00 O ATOM 276 CB THR A 19 25.633 14.365 -0.599 1.00 0.00 C ATOM 277 OG1 THR A 19 26.188 13.690 0.536 1.00 0.00 O ATOM 278 CG2 THR A 19 24.334 15.050 -0.197 1.00 0.00 C ATOM 0 H THR A 19 24.092 12.309 -0.479 1.00 0.00 H new ATOM 0 HA THR A 19 25.186 13.915 -2.657 1.00 0.00 H new ATOM 0 HB THR A 19 26.334 15.121 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.342 14.335 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.529 15.755 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.924 15.585 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.617 14.301 0.140 1.00 0.00 H new ATOM 286 N GLU A 20 26.468 11.198 -1.742 1.00 0.00 N ATOM 287 CA GLU A 20 27.568 10.252 -1.887 1.00 0.00 C ATOM 288 C GLU A 20 27.438 9.466 -3.187 1.00 0.00 C ATOM 289 O GLU A 20 26.685 9.846 -4.084 1.00 0.00 O ATOM 290 CB GLU A 20 27.596 9.286 -0.700 1.00 0.00 C ATOM 291 CG GLU A 20 27.815 9.968 0.641 1.00 0.00 C ATOM 292 CD GLU A 20 27.870 8.980 1.790 1.00 0.00 C ATOM 293 OE1 GLU A 20 26.795 8.598 2.298 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.990 8.586 2.182 1.00 0.00 O ATOM 0 H GLU A 20 25.578 10.769 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 20 28.500 10.817 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.655 8.737 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.388 8.554 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.745 10.536 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.011 10.682 0.818 1.00 0.00 H new ATOM 301 N THR A 21 28.180 8.369 -3.279 1.00 0.00 N ATOM 302 CA THR A 21 28.155 7.520 -4.463 1.00 0.00 C ATOM 303 C THR A 21 28.291 6.049 -4.093 1.00 0.00 C ATOM 304 O THR A 21 27.722 5.176 -4.748 1.00 0.00 O ATOM 305 CB THR A 21 29.289 7.884 -5.433 1.00 0.00 C ATOM 306 OG1 THR A 21 30.449 8.295 -4.699 1.00 0.00 O ATOM 307 CG2 THR A 21 28.859 8.990 -6.385 1.00 0.00 C ATOM 0 H THR A 21 28.809 8.046 -2.544 1.00 0.00 H new ATOM 0 HA THR A 21 27.192 7.687 -4.946 1.00 0.00 H new ATOM 0 HB THR A 21 29.530 6.999 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.168 8.524 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.680 9.228 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.998 8.657 -6.964 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.590 9.878 -5.813 1.00 0.00 H new ATOM 315 N ARG A 22 29.054 5.785 -3.041 1.00 0.00 N ATOM 316 CA ARG A 22 29.283 4.423 -2.573 1.00 0.00 C ATOM 317 C ARG A 22 28.862 4.286 -1.111 1.00 0.00 C ATOM 318 O ARG A 22 28.801 5.280 -0.386 1.00 0.00 O ATOM 319 CB ARG A 22 30.755 4.060 -2.723 1.00 0.00 C ATOM 320 CG ARG A 22 31.308 4.320 -4.117 1.00 0.00 C ATOM 321 CD ARG A 22 32.807 4.068 -4.181 1.00 0.00 C ATOM 322 NE ARG A 22 33.147 2.691 -3.838 1.00 0.00 N ATOM 323 CZ ARG A 22 34.360 2.165 -3.996 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.346 2.897 -4.498 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.585 0.904 -3.651 1.00 0.00 N ATOM 0 H ARG A 22 29.528 6.501 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 22 28.683 3.742 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.337 4.630 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.887 3.006 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.800 3.678 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.099 5.350 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.169 4.291 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.318 4.748 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 22 32.412 2.096 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.176 3.867 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.274 2.490 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.829 0.338 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.514 0.500 -3.772 1.00 0.00 H new ATOM 339 N PHE A 23 28.579 3.057 -0.672 1.00 0.00 N ATOM 340 CA PHE A 23 28.151 2.792 0.702 1.00 0.00 C ATOM 341 C PHE A 23 28.554 1.370 1.099 1.00 0.00 C ATOM 342 O PHE A 23 28.069 0.397 0.521 1.00 0.00 O ATOM 343 CB PHE A 23 26.631 2.958 0.839 1.00 0.00 C ATOM 344 CG PHE A 23 26.091 4.225 0.235 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.935 4.338 -1.137 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.750 5.305 1.034 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.454 5.500 -1.702 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.267 6.472 0.474 1.00 0.00 C ATOM 349 CZ PHE A 23 25.120 6.571 -0.897 1.00 0.00 C ATOM 0 H PHE A 23 28.640 2.223 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 23 28.638 3.509 1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.140 2.106 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.368 2.932 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.194 3.504 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.863 5.234 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.339 5.573 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 23 25.004 7.307 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.745 7.483 -1.337 1.00 0.00 H new ATOM 359 N LYS A 24 29.448 1.257 2.080 1.00 0.00 N ATOM 360 CA LYS A 24 29.944 -0.047 2.535 1.00 0.00 C ATOM 361 C LYS A 24 28.824 -1.029 2.862 1.00 0.00 C ATOM 362 O LYS A 24 27.658 -0.651 2.965 1.00 0.00 O ATOM 363 CB LYS A 24 30.838 0.114 3.764 1.00 0.00 C ATOM 364 CG LYS A 24 30.343 1.155 4.756 1.00 0.00 C ATOM 365 CD LYS A 24 31.245 1.241 5.980 1.00 0.00 C ATOM 366 CE LYS A 24 32.585 1.889 5.655 1.00 0.00 C ATOM 367 NZ LYS A 24 33.465 0.996 4.850 1.00 0.00 N ATOM 0 H LYS A 24 29.846 2.053 2.578 1.00 0.00 H new ATOM 0 HA LYS A 24 30.516 -0.458 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.918 -0.847 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.842 0.386 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.297 2.129 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.329 0.907 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.744 1.814 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.413 0.240 6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.414 2.816 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.092 2.155 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.433 1.029 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.107 0.021 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.470 1.315 3.860 1.00 0.00 H new ATOM 381 N THR A 25 29.200 -2.295 3.030 1.00 0.00 N ATOM 382 CA THR A 25 28.243 -3.348 3.335 1.00 0.00 C ATOM 383 C THR A 25 27.657 -3.195 4.733 1.00 0.00 C ATOM 384 O THR A 25 26.811 -3.987 5.150 1.00 0.00 O ATOM 385 CB THR A 25 28.883 -4.738 3.229 1.00 0.00 C ATOM 386 OG1 THR A 25 30.257 -4.681 3.630 1.00 0.00 O ATOM 387 CG2 THR A 25 28.775 -5.301 1.812 1.00 0.00 C ATOM 0 H THR A 25 30.166 -2.614 2.959 1.00 0.00 H new ATOM 0 HA THR A 25 27.446 -3.253 2.597 1.00 0.00 H new ATOM 0 HB THR A 25 28.338 -5.405 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 25 30.827 -4.619 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.239 -6.287 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 25 27.725 -5.384 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.284 -4.634 1.116 1.00 0.00 H new ATOM 395 N GLY A 26 28.106 -2.176 5.452 1.00 0.00 N ATOM 396 CA GLY A 26 27.606 -1.944 6.792 1.00 0.00 C ATOM 397 C GLY A 26 26.590 -0.828 6.814 1.00 0.00 C ATOM 398 O GLY A 26 25.886 -0.628 7.805 1.00 0.00 O ATOM 0 H GLY A 26 28.806 -1.507 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.153 -2.858 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.436 -1.696 7.454 1.00 0.00 H new ATOM 402 N THR A 27 26.518 -0.099 5.707 1.00 0.00 N ATOM 403 CA THR A 27 25.594 1.022 5.570 1.00 0.00 C ATOM 404 C THR A 27 24.144 0.547 5.603 1.00 0.00 C ATOM 405 O THR A 27 23.870 -0.644 5.457 1.00 0.00 O ATOM 406 CB THR A 27 25.845 1.789 4.259 1.00 0.00 C ATOM 407 OG1 THR A 27 25.333 3.123 4.366 1.00 0.00 O ATOM 408 CG2 THR A 27 25.187 1.086 3.086 1.00 0.00 C ATOM 0 H THR A 27 27.095 -0.266 4.883 1.00 0.00 H new ATOM 0 HA THR A 27 25.770 1.689 6.414 1.00 0.00 H new ATOM 0 HB THR A 27 26.921 1.823 4.086 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.908 3.379 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.379 1.647 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.597 0.081 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.112 1.024 3.255 1.00 0.00 H new ATOM 416 N THR A 28 23.217 1.485 5.791 1.00 0.00 N ATOM 417 CA THR A 28 21.797 1.152 5.838 1.00 0.00 C ATOM 418 C THR A 28 20.924 2.380 5.584 1.00 0.00 C ATOM 419 O THR A 28 21.042 3.392 6.275 1.00 0.00 O ATOM 420 CB THR A 28 21.406 0.534 7.193 1.00 0.00 C ATOM 421 OG1 THR A 28 22.186 -0.641 7.444 1.00 0.00 O ATOM 422 CG2 THR A 28 19.927 0.181 7.224 1.00 0.00 C ATOM 0 H THR A 28 23.424 2.476 5.913 1.00 0.00 H new ATOM 0 HA THR A 28 21.626 0.421 5.048 1.00 0.00 H new ATOM 0 HB THR A 28 21.604 1.273 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.591 -0.950 6.607 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.677 -0.254 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.334 1.082 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.708 -0.539 6.435 1.00 0.00 H new ATOM 430 N LEU A 29 20.047 2.278 4.588 1.00 0.00 N ATOM 431 CA LEU A 29 19.164 3.387 4.233 1.00 0.00 C ATOM 432 C LEU A 29 17.899 3.386 5.090 1.00 0.00 C ATOM 433 O LEU A 29 17.785 2.622 6.050 1.00 0.00 O ATOM 434 CB LEU A 29 18.787 3.332 2.748 1.00 0.00 C ATOM 435 CG LEU A 29 19.910 3.710 1.777 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.938 2.596 1.694 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.347 4.016 0.396 1.00 0.00 C ATOM 0 H LEU A 29 19.929 1.443 4.015 1.00 0.00 H new ATOM 0 HA LEU A 29 19.710 4.311 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.449 2.323 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.942 3.999 2.579 1.00 0.00 H new ATOM 0 HG LEU A 29 20.400 4.607 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.728 2.881 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.367 2.422 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.458 1.683 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.161 4.282 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.830 3.137 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.646 4.848 0.465 1.00 0.00 H new ATOM 449 N LYS A 30 16.952 4.253 4.736 1.00 0.00 N ATOM 450 CA LYS A 30 15.691 4.363 5.464 1.00 0.00 C ATOM 451 C LYS A 30 14.510 4.068 4.547 1.00 0.00 C ATOM 452 O LYS A 30 13.897 3.003 4.628 1.00 0.00 O ATOM 453 CB LYS A 30 15.542 5.767 6.055 1.00 0.00 C ATOM 454 CG LYS A 30 14.618 5.830 7.262 1.00 0.00 C ATOM 455 CD LYS A 30 15.159 5.017 8.427 1.00 0.00 C ATOM 456 CE LYS A 30 14.313 5.205 9.674 1.00 0.00 C ATOM 457 NZ LYS A 30 12.921 4.717 9.481 1.00 0.00 N ATOM 0 H LYS A 30 17.036 4.892 3.945 1.00 0.00 H new ATOM 0 HA LYS A 30 15.701 3.630 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.526 6.136 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.163 6.438 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.492 6.868 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.632 5.458 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.182 3.961 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.187 5.315 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.772 4.673 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.293 6.261 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.412 4.753 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.435 5.319 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.942 3.737 9.135 1.00 0.00 H new ATOM 471 N TYR A 31 14.197 5.030 3.680 1.00 0.00 N ATOM 472 CA TYR A 31 13.099 4.896 2.726 1.00 0.00 C ATOM 473 C TYR A 31 11.736 4.897 3.418 1.00 0.00 C ATOM 474 O TYR A 31 11.538 4.240 4.439 1.00 0.00 O ATOM 475 CB TYR A 31 13.271 3.627 1.889 1.00 0.00 C ATOM 476 CG TYR A 31 13.972 3.865 0.571 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.355 3.980 0.507 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.249 3.977 -0.608 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.996 4.200 -0.698 1.00 0.00 C ATOM 480 CE2 TYR A 31 13.881 4.197 -1.815 1.00 0.00 C ATOM 481 CZ TYR A 31 15.254 4.307 -1.855 1.00 0.00 C ATOM 482 OH TYR A 31 15.888 4.525 -3.057 1.00 0.00 O ATOM 0 H TYR A 31 14.694 5.919 3.620 1.00 0.00 H new ATOM 0 HA TYR A 31 13.131 5.764 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.837 2.895 2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.290 3.192 1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 31 15.938 3.896 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.173 3.890 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.072 4.288 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.303 4.282 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 31 15.222 4.575 -3.774 1.00 0.00 H new ATOM 492 N THR A 32 10.804 5.647 2.836 1.00 0.00 N ATOM 493 CA THR A 32 9.448 5.766 3.364 1.00 0.00 C ATOM 494 C THR A 32 8.445 5.069 2.443 1.00 0.00 C ATOM 495 O THR A 32 8.827 4.521 1.409 1.00 0.00 O ATOM 496 CB THR A 32 9.063 7.250 3.535 1.00 0.00 C ATOM 497 OG1 THR A 32 7.639 7.408 3.538 1.00 0.00 O ATOM 498 CG2 THR A 32 9.676 8.095 2.427 1.00 0.00 C ATOM 0 H THR A 32 10.967 6.188 1.987 1.00 0.00 H new ATOM 0 HA THR A 32 9.421 5.280 4.339 1.00 0.00 H new ATOM 0 HB THR A 32 9.455 7.590 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.415 8.356 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.392 9.138 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.762 8.007 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.313 7.746 1.460 1.00 0.00 H new ATOM 506 N CYS A 33 7.165 5.087 2.816 1.00 0.00 N ATOM 507 CA CYS A 33 6.132 4.436 2.014 1.00 0.00 C ATOM 508 C CYS A 33 4.950 5.365 1.732 1.00 0.00 C ATOM 509 O CYS A 33 4.134 5.661 2.606 1.00 0.00 O ATOM 510 CB CYS A 33 5.626 3.180 2.727 1.00 0.00 C ATOM 511 SG CYS A 33 6.939 2.148 3.452 1.00 0.00 S ATOM 0 H CYS A 33 6.822 5.542 3.662 1.00 0.00 H new ATOM 0 HA CYS A 33 6.587 4.169 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.937 3.478 3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.057 2.578 2.018 1.00 0.00 H new ATOM 516 N LEU A 34 4.913 5.822 0.479 1.00 0.00 N ATOM 517 CA LEU A 34 3.876 6.732 -0.005 1.00 0.00 C ATOM 518 C LEU A 34 2.499 6.351 0.545 1.00 0.00 C ATOM 519 O LEU A 34 2.221 5.179 0.803 1.00 0.00 O ATOM 520 CB LEU A 34 3.867 6.763 -1.536 1.00 0.00 C ATOM 521 CG LEU A 34 5.239 7.009 -2.179 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.165 6.821 -3.688 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.753 8.400 -1.837 1.00 0.00 C ATOM 0 H LEU A 34 5.603 5.570 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 34 4.107 7.733 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.473 5.815 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.181 7.543 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 34 5.940 6.278 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.147 7.000 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.847 5.803 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.447 7.526 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.726 8.553 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.052 9.148 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.849 8.497 -0.756 1.00 0.00 H new ATOM 535 N PRO A 35 1.623 7.352 0.730 1.00 0.00 N ATOM 536 CA PRO A 35 0.275 7.157 1.283 1.00 0.00 C ATOM 537 C PRO A 35 -0.507 5.994 0.668 1.00 0.00 C ATOM 538 O PRO A 35 -0.876 6.027 -0.505 1.00 0.00 O ATOM 539 CB PRO A 35 -0.421 8.481 0.969 1.00 0.00 C ATOM 540 CG PRO A 35 0.678 9.484 0.960 1.00 0.00 C ATOM 541 CD PRO A 35 1.881 8.772 0.407 1.00 0.00 C ATOM 0 HA PRO A 35 0.328 6.900 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.932 8.443 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.173 8.722 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.416 10.345 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.873 9.858 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.980 8.927 -0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.803 9.127 0.867 1.00 0.00 H new ATOM 549 N GLY A 36 -0.742 4.965 1.482 1.00 0.00 N ATOM 550 CA GLY A 36 -1.532 3.828 1.030 1.00 0.00 C ATOM 551 C GLY A 36 -0.730 2.558 0.809 1.00 0.00 C ATOM 552 O GLY A 36 -1.283 1.467 0.915 1.00 0.00 O ATOM 0 H GLY A 36 -0.402 4.898 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.312 3.628 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.032 4.095 0.099 1.00 0.00 H new ATOM 556 N TYR A 37 0.542 2.714 0.432 1.00 0.00 N ATOM 557 CA TYR A 37 1.448 1.589 0.179 1.00 0.00 C ATOM 558 C TYR A 37 1.033 0.278 0.840 1.00 0.00 C ATOM 559 O TYR A 37 1.382 -0.781 0.338 1.00 0.00 O ATOM 560 CB TYR A 37 2.868 1.949 0.601 1.00 0.00 C ATOM 561 CG TYR A 37 3.769 2.198 -0.579 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.408 1.148 -1.221 1.00 0.00 C ATOM 563 CD2 TYR A 37 3.963 3.479 -1.067 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.218 1.371 -2.312 1.00 0.00 C ATOM 565 CE2 TYR A 37 4.770 3.709 -2.160 1.00 0.00 C ATOM 566 CZ TYR A 37 5.395 2.654 -2.779 1.00 0.00 C ATOM 567 OH TYR A 37 6.198 2.885 -3.869 1.00 0.00 O ATOM 0 H TYR A 37 0.974 3.627 0.293 1.00 0.00 H new ATOM 0 HA TYR A 37 1.397 1.414 -0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.843 2.839 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.280 1.142 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.268 0.140 -0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.474 4.312 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.712 0.543 -2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.910 4.714 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 37 5.876 2.359 -4.630 1.00 0.00 H new ATOM 577 N VAL A 38 0.335 0.322 1.970 1.00 0.00 N ATOM 578 CA VAL A 38 -0.110 -0.916 2.597 1.00 0.00 C ATOM 579 C VAL A 38 1.087 -1.657 3.184 1.00 0.00 C ATOM 580 O VAL A 38 2.192 -1.579 2.646 1.00 0.00 O ATOM 581 CB VAL A 38 -0.857 -1.803 1.572 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.810 -3.271 1.956 1.00 0.00 C ATOM 583 CG2 VAL A 38 -2.290 -1.331 1.405 1.00 0.00 C ATOM 0 H VAL A 38 0.071 1.177 2.459 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.803 -0.677 3.404 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.345 -1.704 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.346 -3.859 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.228 -3.602 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.278 -3.407 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.800 -1.966 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.806 -1.387 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.295 -0.300 1.051 1.00 0.00 H new ATOM 593 N ARG A 39 0.883 -2.375 4.282 1.00 0.00 N ATOM 594 CA ARG A 39 1.992 -3.081 4.911 1.00 0.00 C ATOM 595 C ARG A 39 1.716 -4.566 5.112 1.00 0.00 C ATOM 596 O ARG A 39 0.569 -5.003 5.192 1.00 0.00 O ATOM 597 CB ARG A 39 2.337 -2.432 6.253 1.00 0.00 C ATOM 598 CG ARG A 39 2.830 -0.998 6.131 1.00 0.00 C ATOM 599 CD ARG A 39 3.228 -0.425 7.483 1.00 0.00 C ATOM 600 NE ARG A 39 2.110 -0.409 8.423 1.00 0.00 N ATOM 601 CZ ARG A 39 2.150 0.199 9.606 1.00 0.00 C ATOM 602 NH1 ARG A 39 3.245 0.840 9.988 1.00 0.00 N ATOM 603 NH2 ARG A 39 1.093 0.166 10.407 1.00 0.00 N ATOM 0 H ARG A 39 -0.019 -2.483 4.747 1.00 0.00 H new ATOM 0 HA ARG A 39 2.839 -3.003 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.455 -2.450 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.102 -3.029 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.684 -0.963 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.048 -0.380 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.044 -1.015 7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.604 0.589 7.350 1.00 0.00 H new ATOM 0 HE ARG A 39 1.251 -0.891 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.060 0.868 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.273 1.305 10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.248 -0.326 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.125 0.633 11.313 1.00 0.00 H new ATOM 617 N SER A 40 2.805 -5.327 5.192 1.00 0.00 N ATOM 618 CA SER A 40 2.749 -6.768 5.394 1.00 0.00 C ATOM 619 C SER A 40 3.935 -7.211 6.248 1.00 0.00 C ATOM 620 O SER A 40 4.197 -8.405 6.404 1.00 0.00 O ATOM 621 CB SER A 40 2.770 -7.496 4.047 1.00 0.00 C ATOM 622 OG SER A 40 2.581 -8.890 4.216 1.00 0.00 O ATOM 0 H SER A 40 3.753 -4.958 5.118 1.00 0.00 H new ATOM 0 HA SER A 40 1.821 -7.019 5.908 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.988 -7.096 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.721 -7.313 3.546 1.00 0.00 H new ATOM 0 HG SER A 40 3.092 -9.197 4.994 1.00 0.00 H new ATOM 628 N HIS A 41 4.642 -6.222 6.799 1.00 0.00 N ATOM 629 CA HIS A 41 5.814 -6.458 7.644 1.00 0.00 C ATOM 630 C HIS A 41 6.951 -7.080 6.844 1.00 0.00 C ATOM 631 O HIS A 41 6.845 -8.207 6.359 1.00 0.00 O ATOM 632 CB HIS A 41 5.474 -7.357 8.831 1.00 0.00 C ATOM 633 CG HIS A 41 4.129 -7.087 9.437 1.00 0.00 C ATOM 634 ND1 HIS A 41 3.097 -8.001 9.417 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.650 -5.996 10.085 1.00 0.00 C ATOM 636 CE1 HIS A 41 2.042 -7.486 10.024 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.352 -6.271 10.438 1.00 0.00 N ATOM 0 H HIS A 41 4.418 -5.235 6.672 1.00 0.00 H new ATOM 0 HA HIS A 41 6.135 -5.487 8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.513 -8.397 8.508 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.238 -7.232 9.598 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.189 -5.082 10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.089 -7.975 10.159 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.728 -5.639 10.939 1.00 0.00 H new ATOM 646 N SER A 42 8.040 -6.334 6.721 1.00 0.00 N ATOM 647 CA SER A 42 9.213 -6.787 5.987 1.00 0.00 C ATOM 648 C SER A 42 10.391 -5.875 6.288 1.00 0.00 C ATOM 649 O SER A 42 11.502 -6.092 5.805 1.00 0.00 O ATOM 650 CB SER A 42 8.938 -6.782 4.486 1.00 0.00 C ATOM 651 OG SER A 42 7.937 -7.723 4.139 1.00 0.00 O ATOM 0 H SER A 42 8.135 -5.402 7.125 1.00 0.00 H new ATOM 0 HA SER A 42 9.448 -7.804 6.300 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.625 -5.785 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.857 -7.010 3.946 1.00 0.00 H new ATOM 0 HG SER A 42 7.709 -8.263 4.925 1.00 0.00 H new ATOM 657 N THR A 43 10.127 -4.851 7.090 1.00 0.00 N ATOM 658 CA THR A 43 11.148 -3.876 7.465 1.00 0.00 C ATOM 659 C THR A 43 11.584 -3.054 6.253 1.00 0.00 C ATOM 660 O THR A 43 11.625 -3.564 5.133 1.00 0.00 O ATOM 661 CB THR A 43 12.373 -4.574 8.075 1.00 0.00 C ATOM 662 OG1 THR A 43 12.022 -5.190 9.320 1.00 0.00 O ATOM 663 CG2 THR A 43 13.520 -3.597 8.291 1.00 0.00 C ATOM 0 H THR A 43 9.209 -4.672 7.496 1.00 0.00 H new ATOM 0 HA THR A 43 10.711 -3.210 8.209 1.00 0.00 H new ATOM 0 HB THR A 43 12.704 -5.338 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.809 -5.633 9.699 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.370 -4.124 8.724 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.811 -3.161 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.201 -2.805 8.969 1.00 0.00 H new ATOM 671 N GLN A 44 11.928 -1.788 6.482 1.00 0.00 N ATOM 672 CA GLN A 44 12.339 -0.904 5.400 1.00 0.00 C ATOM 673 C GLN A 44 13.769 -0.418 5.591 1.00 0.00 C ATOM 674 O GLN A 44 14.009 0.588 6.257 1.00 0.00 O ATOM 675 CB GLN A 44 11.387 0.290 5.300 1.00 0.00 C ATOM 676 CG GLN A 44 11.055 0.928 6.642 1.00 0.00 C ATOM 677 CD GLN A 44 10.085 0.099 7.463 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.205 -0.632 6.785 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 10.123 0.114 8.693 1.00 0.00 N flip ATOM 0 H GLN A 44 11.929 -1.355 7.405 1.00 0.00 H new ATOM 0 HA GLN A 44 12.298 -1.473 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.832 1.044 4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.462 -0.034 4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.975 1.070 7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.629 1.917 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.814 0.689 9.175 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.463 -0.448 9.231 1.00 0.00 H new ATOM 688 N THR A 45 14.717 -1.135 4.992 1.00 0.00 N ATOM 689 CA THR A 45 16.126 -0.778 5.095 1.00 0.00 C ATOM 690 C THR A 45 16.934 -1.345 3.933 1.00 0.00 C ATOM 691 O THR A 45 16.813 -2.523 3.596 1.00 0.00 O ATOM 692 CB THR A 45 16.747 -1.275 6.414 1.00 0.00 C ATOM 693 OG1 THR A 45 16.356 -2.631 6.663 1.00 0.00 O ATOM 694 CG2 THR A 45 16.327 -0.396 7.583 1.00 0.00 C ATOM 0 H THR A 45 14.533 -1.966 4.431 1.00 0.00 H new ATOM 0 HA THR A 45 16.165 0.311 5.068 1.00 0.00 H new ATOM 0 HB THR A 45 17.831 -1.223 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.757 -2.938 7.503 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.780 -0.770 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.658 0.627 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.242 -0.414 7.680 1.00 0.00 H new ATOM 702 N LEU A 46 17.765 -0.503 3.329 1.00 0.00 N ATOM 703 CA LEU A 46 18.611 -0.920 2.214 1.00 0.00 C ATOM 704 C LEU A 46 20.037 -1.122 2.713 1.00 0.00 C ATOM 705 O LEU A 46 20.706 -0.166 3.104 1.00 0.00 O ATOM 706 CB LEU A 46 18.585 0.123 1.090 1.00 0.00 C ATOM 707 CG LEU A 46 17.547 -0.127 -0.009 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.155 -0.260 0.588 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.582 0.986 -1.049 1.00 0.00 C ATOM 0 H LEU A 46 17.872 0.476 3.593 1.00 0.00 H new ATOM 0 HA LEU A 46 18.229 -1.858 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.396 1.102 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.573 0.164 0.632 1.00 0.00 H new ATOM 0 HG LEU A 46 17.797 -1.064 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.433 -0.437 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.137 -1.097 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.896 0.658 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.837 0.788 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.362 1.940 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.572 1.028 -1.504 1.00 0.00 H new ATOM 721 N THR A 47 20.503 -2.369 2.697 1.00 0.00 N ATOM 722 CA THR A 47 21.849 -2.673 3.161 1.00 0.00 C ATOM 723 C THR A 47 22.705 -3.240 2.045 1.00 0.00 C ATOM 724 O THR A 47 22.201 -3.929 1.157 1.00 0.00 O ATOM 725 CB THR A 47 21.834 -3.696 4.308 1.00 0.00 C ATOM 726 OG1 THR A 47 20.762 -3.410 5.216 1.00 0.00 O ATOM 727 CG2 THR A 47 23.158 -3.674 5.055 1.00 0.00 C ATOM 0 H THR A 47 19.972 -3.176 2.371 1.00 0.00 H new ATOM 0 HA THR A 47 22.269 -1.730 3.511 1.00 0.00 H new ATOM 0 HB THR A 47 21.684 -4.688 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.762 -4.070 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.131 -4.404 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 23.967 -3.923 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.326 -2.680 5.469 1.00 0.00 H new ATOM 735 N CYS A 48 24.002 -2.953 2.087 1.00 0.00 N ATOM 736 CA CYS A 48 24.907 -3.479 1.091 1.00 0.00 C ATOM 737 C CYS A 48 25.361 -4.859 1.536 1.00 0.00 C ATOM 738 O CYS A 48 25.953 -5.016 2.602 1.00 0.00 O ATOM 739 CB CYS A 48 26.101 -2.544 0.899 1.00 0.00 C ATOM 740 SG CYS A 48 25.918 -1.379 -0.487 1.00 0.00 S ATOM 0 H CYS A 48 24.440 -2.364 2.796 1.00 0.00 H new ATOM 0 HA CYS A 48 24.398 -3.555 0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.257 -1.978 1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.997 -3.144 0.739 1.00 0.00 H new ATOM 745 N ASN A 49 25.054 -5.862 0.727 1.00 0.00 N ATOM 746 CA ASN A 49 25.475 -7.220 1.027 1.00 0.00 C ATOM 747 C ASN A 49 26.715 -7.571 0.227 1.00 0.00 C ATOM 748 O ASN A 49 27.327 -6.709 -0.404 1.00 0.00 O ATOM 749 CB ASN A 49 24.371 -8.233 0.721 1.00 0.00 C ATOM 750 CG ASN A 49 24.077 -8.364 -0.761 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.261 -7.285 -1.512 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 23.682 -9.432 -1.228 1.00 0.00 N flip ATOM 0 H ASN A 49 24.519 -5.762 -0.136 1.00 0.00 H new ATOM 0 HA ASN A 49 25.697 -7.267 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 49 24.661 -9.207 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.460 -7.937 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.553 -10.239 -0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.484 -9.510 -2.225 1.00 0.00 H new ATOM 759 N SER A 50 27.077 -8.841 0.250 1.00 0.00 N ATOM 760 CA SER A 50 28.233 -9.313 -0.476 1.00 0.00 C ATOM 761 C SER A 50 27.795 -9.992 -1.775 1.00 0.00 C ATOM 762 O SER A 50 28.085 -11.164 -2.015 1.00 0.00 O ATOM 763 CB SER A 50 29.023 -10.283 0.396 1.00 0.00 C ATOM 764 OG SER A 50 28.164 -11.022 1.246 1.00 0.00 O ATOM 0 H SER A 50 26.580 -9.565 0.769 1.00 0.00 H new ATOM 0 HA SER A 50 28.872 -8.467 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 50 29.589 -10.966 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.746 -9.731 0.996 1.00 0.00 H new ATOM 0 HG SER A 50 28.695 -11.638 1.793 1.00 0.00 H new ATOM 770 N ASP A 51 27.090 -9.230 -2.606 1.00 0.00 N ATOM 771 CA ASP A 51 26.601 -9.700 -3.900 1.00 0.00 C ATOM 772 C ASP A 51 26.967 -8.688 -4.975 1.00 0.00 C ATOM 773 O ASP A 51 27.372 -9.053 -6.080 1.00 0.00 O ATOM 774 CB ASP A 51 25.083 -9.880 -3.860 1.00 0.00 C ATOM 775 CG ASP A 51 24.670 -11.161 -3.159 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.174 -11.419 -2.046 1.00 0.00 O ATOM 777 OD2 ASP A 51 23.838 -11.903 -3.722 1.00 0.00 O ATOM 0 H ASP A 51 26.840 -8.263 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 51 27.062 -10.661 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.632 -9.029 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.694 -9.884 -4.878 1.00 0.00 H new ATOM 782 N GLY A 52 26.817 -7.414 -4.638 1.00 0.00 N ATOM 783 CA GLY A 52 27.155 -6.360 -5.576 1.00 0.00 C ATOM 784 C GLY A 52 26.103 -5.268 -5.618 1.00 0.00 C ATOM 785 O GLY A 52 26.193 -4.328 -6.410 1.00 0.00 O ATOM 0 H GLY A 52 26.469 -7.092 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.116 -5.925 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.272 -6.787 -6.572 1.00 0.00 H new ATOM 789 N GLU A 53 25.104 -5.404 -4.750 1.00 0.00 N ATOM 790 CA GLU A 53 24.017 -4.431 -4.697 1.00 0.00 C ATOM 791 C GLU A 53 23.365 -4.350 -3.321 1.00 0.00 C ATOM 792 O GLU A 53 23.932 -4.776 -2.316 1.00 0.00 O ATOM 793 CB GLU A 53 22.958 -4.782 -5.741 1.00 0.00 C ATOM 794 CG GLU A 53 22.429 -6.201 -5.614 1.00 0.00 C ATOM 795 CD GLU A 53 23.294 -7.212 -6.340 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.243 -7.736 -5.722 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.021 -7.482 -7.529 1.00 0.00 O ATOM 0 H GLU A 53 25.024 -6.170 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 53 24.453 -3.455 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.126 -4.083 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.382 -4.648 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.370 -6.470 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.415 -6.244 -6.011 1.00 0.00 H new ATOM 804 N TRP A 54 22.159 -3.787 -3.303 1.00 0.00 N ATOM 805 CA TRP A 54 21.394 -3.604 -2.084 1.00 0.00 C ATOM 806 C TRP A 54 20.378 -4.706 -1.859 1.00 0.00 C ATOM 807 O TRP A 54 19.512 -4.962 -2.695 1.00 0.00 O ATOM 808 CB TRP A 54 20.652 -2.286 -2.154 1.00 0.00 C ATOM 809 CG TRP A 54 21.547 -1.123 -2.431 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.827 -0.566 -3.645 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.287 -0.383 -1.469 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.697 0.485 -3.491 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.995 0.617 -2.159 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.413 -0.472 -0.087 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.823 1.524 -1.504 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.230 0.425 0.563 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.926 1.412 -0.145 1.00 0.00 C ATOM 0 H TRP A 54 21.688 -3.445 -4.141 1.00 0.00 H new ATOM 0 HA TRP A 54 22.104 -3.623 -1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.892 -2.345 -2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.131 -2.119 -1.211 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.423 -0.903 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.061 1.070 -4.243 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.880 -1.231 0.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.363 2.286 -2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.336 0.366 1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.559 2.101 0.395 1.00 0.00 H new ATOM 828 N VAL A 55 20.499 -5.349 -0.710 1.00 0.00 N ATOM 829 CA VAL A 55 19.591 -6.406 -0.311 1.00 0.00 C ATOM 830 C VAL A 55 18.574 -5.860 0.664 1.00 0.00 C ATOM 831 O VAL A 55 18.830 -4.862 1.341 1.00 0.00 O ATOM 832 CB VAL A 55 20.302 -7.552 0.390 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.976 -8.467 -0.608 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.284 -7.015 1.408 1.00 0.00 C ATOM 0 H VAL A 55 21.231 -5.151 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 55 19.128 -6.776 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 55 19.560 -8.149 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.477 -9.277 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.228 -8.882 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 55 21.710 -7.901 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.786 -7.846 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 55 22.024 -6.391 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 55 20.751 -6.420 2.150 1.00 0.00 H new ATOM 844 N TYR A 56 17.437 -6.534 0.750 1.00 0.00 N ATOM 845 CA TYR A 56 16.391 -6.140 1.689 1.00 0.00 C ATOM 846 C TYR A 56 15.070 -6.847 1.413 1.00 0.00 C ATOM 847 O TYR A 56 14.920 -7.514 0.389 1.00 0.00 O ATOM 848 CB TYR A 56 16.163 -4.628 1.634 1.00 0.00 C ATOM 849 CG TYR A 56 15.905 -4.111 0.230 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.647 -4.215 -0.352 1.00 0.00 C ATOM 851 CD2 TYR A 56 16.924 -3.528 -0.514 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.414 -3.750 -1.633 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.698 -3.062 -1.795 1.00 0.00 C ATOM 854 CZ TYR A 56 15.442 -3.175 -2.350 1.00 0.00 C ATOM 855 OH TYR A 56 15.215 -2.713 -3.626 1.00 0.00 O ATOM 0 H TYR A 56 17.213 -7.353 0.185 1.00 0.00 H new ATOM 0 HA TYR A 56 16.736 -6.433 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.315 -4.372 2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.035 -4.121 2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.839 -4.666 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.910 -3.438 -0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.430 -3.837 -2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.502 -2.611 -2.358 1.00 0.00 H new ATOM 0 HH TYR A 56 16.043 -2.336 -3.990 1.00 0.00 H new ATOM 865 N ASN A 57 14.117 -6.700 2.321 1.00 0.00 N ATOM 866 CA ASN A 57 12.809 -7.314 2.147 1.00 0.00 C ATOM 867 C ASN A 57 11.842 -6.310 1.531 1.00 0.00 C ATOM 868 O ASN A 57 12.156 -5.124 1.425 1.00 0.00 O ATOM 869 CB ASN A 57 12.269 -7.817 3.486 1.00 0.00 C ATOM 870 CG ASN A 57 13.207 -8.804 4.152 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.071 -8.422 4.941 1.00 0.00 O ATOM 872 ND2 ASN A 57 13.044 -10.084 3.834 1.00 0.00 N ATOM 0 H ASN A 57 14.224 -6.164 3.182 1.00 0.00 H new ATOM 0 HA ASN A 57 12.910 -8.167 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.106 -6.969 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.299 -8.290 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.648 -10.793 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.315 -10.357 3.175 1.00 0.00 H new ATOM 879 N THR A 58 10.670 -6.782 1.122 1.00 0.00 N ATOM 880 CA THR A 58 9.673 -5.906 0.521 1.00 0.00 C ATOM 881 C THR A 58 8.912 -5.156 1.604 1.00 0.00 C ATOM 882 O THR A 58 7.787 -5.517 1.953 1.00 0.00 O ATOM 883 CB THR A 58 8.676 -6.689 -0.350 1.00 0.00 C ATOM 884 OG1 THR A 58 9.344 -7.776 -1.001 1.00 0.00 O ATOM 885 CG2 THR A 58 8.045 -5.783 -1.397 1.00 0.00 C ATOM 0 H THR A 58 10.389 -7.760 1.195 1.00 0.00 H new ATOM 0 HA THR A 58 10.204 -5.200 -0.117 1.00 0.00 H new ATOM 0 HB THR A 58 7.890 -7.077 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.703 -8.271 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.344 -6.359 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.515 -4.969 -0.902 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.824 -5.371 -2.039 1.00 0.00 H new ATOM 893 N PHE A 59 9.548 -4.120 2.141 1.00 0.00 N ATOM 894 CA PHE A 59 8.957 -3.309 3.201 1.00 0.00 C ATOM 895 C PHE A 59 7.518 -2.918 2.869 1.00 0.00 C ATOM 896 O PHE A 59 6.574 -3.624 3.229 1.00 0.00 O ATOM 897 CB PHE A 59 9.796 -2.051 3.450 1.00 0.00 C ATOM 898 CG PHE A 59 10.722 -1.694 2.320 1.00 0.00 C ATOM 899 CD1 PHE A 59 12.011 -2.200 2.277 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.307 -0.848 1.305 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.866 -1.871 1.243 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.158 -0.515 0.268 1.00 0.00 C ATOM 903 CZ PHE A 59 12.439 -1.028 0.238 1.00 0.00 C ATOM 0 H PHE A 59 10.481 -3.820 1.857 1.00 0.00 H new ATOM 0 HA PHE A 59 8.945 -3.914 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.126 -1.212 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.385 -2.194 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.352 -2.860 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.306 -0.443 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.868 -2.273 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.821 0.145 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.106 -0.770 -0.571 1.00 0.00 H new ATOM 913 N CYS A 60 7.356 -1.791 2.183 1.00 0.00 N ATOM 914 CA CYS A 60 6.032 -1.311 1.803 1.00 0.00 C ATOM 915 C CYS A 60 5.451 -2.187 0.701 1.00 0.00 C ATOM 916 O CYS A 60 6.018 -2.287 -0.388 1.00 0.00 O ATOM 917 CB CYS A 60 6.108 0.142 1.331 1.00 0.00 C ATOM 918 SG CYS A 60 7.597 1.032 1.888 1.00 0.00 S ATOM 0 H CYS A 60 8.125 -1.193 1.879 1.00 0.00 H new ATOM 0 HA CYS A 60 5.381 -1.363 2.676 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.074 0.161 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.226 0.674 1.687 1.00 0.00 H new ATOM 923 N ILE A 61 4.318 -2.820 0.987 1.00 0.00 N ATOM 924 CA ILE A 61 3.676 -3.701 0.020 1.00 0.00 C ATOM 925 C ILE A 61 2.437 -3.060 -0.606 1.00 0.00 C ATOM 926 O ILE A 61 1.305 -3.340 -0.215 1.00 0.00 O ATOM 927 CB ILE A 61 3.304 -5.054 0.661 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.621 -5.964 -0.362 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.417 -4.850 1.881 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.995 -7.423 -0.214 1.00 0.00 C ATOM 0 H ILE A 61 3.827 -2.739 1.878 1.00 0.00 H new ATOM 0 HA ILE A 61 4.401 -3.875 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 61 4.223 -5.539 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.540 -5.862 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.882 -5.630 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.168 -5.818 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.946 -4.246 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.501 -4.339 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.475 -8.010 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.071 -7.537 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.708 -7.773 0.778 1.00 0.00 H new ATOM 942 N TYR A 62 2.667 -2.184 -1.579 1.00 0.00 N ATOM 943 CA TYR A 62 1.583 -1.507 -2.282 1.00 0.00 C ATOM 944 C TYR A 62 0.736 -2.503 -3.061 1.00 0.00 C ATOM 945 O TYR A 62 1.201 -3.135 -4.010 1.00 0.00 O ATOM 946 CB TYR A 62 2.142 -0.430 -3.219 1.00 0.00 C ATOM 947 CG TYR A 62 1.281 0.811 -3.304 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.094 0.732 -3.486 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.855 2.068 -3.186 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.870 1.875 -3.546 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.092 3.215 -3.244 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.270 3.114 -3.423 1.00 0.00 C ATOM 953 OH TYR A 62 -1.034 4.256 -3.477 1.00 0.00 O ATOM 0 H TYR A 62 3.600 -1.925 -1.900 1.00 0.00 H new ATOM 0 HA TYR A 62 0.945 -1.026 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.138 -0.147 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.254 -0.853 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.564 -0.236 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.923 2.150 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.938 1.800 -3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.558 4.185 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.457 5.041 -3.373 1.00 0.00 H new ATOM 963 N LYS A 63 -0.520 -2.628 -2.638 1.00 0.00 N ATOM 964 CA LYS A 63 -1.470 -3.538 -3.262 1.00 0.00 C ATOM 965 C LYS A 63 -2.884 -3.255 -2.771 1.00 0.00 C ATOM 966 O LYS A 63 -3.277 -3.681 -1.684 1.00 0.00 O ATOM 967 CB LYS A 63 -1.083 -4.991 -2.979 1.00 0.00 C ATOM 968 CG LYS A 63 -0.553 -5.223 -1.574 1.00 0.00 C ATOM 969 CD LYS A 63 -1.502 -6.067 -0.751 1.00 0.00 C ATOM 970 CE LYS A 63 -0.957 -6.307 0.648 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.212 -7.593 0.740 1.00 0.00 N ATOM 0 H LYS A 63 -0.905 -2.101 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.444 -3.378 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.954 -5.627 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.326 -5.302 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.418 -5.715 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.398 -4.264 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.470 -5.571 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.666 -7.023 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.298 -5.485 0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.780 -6.312 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.453 -7.553 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.883 -8.373 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.316 -7.752 -0.142 1.00 0.00 H new ATOM 985 N ARG A 64 -3.640 -2.525 -3.585 1.00 0.00 N ATOM 986 CA ARG A 64 -5.011 -2.170 -3.242 1.00 0.00 C ATOM 987 C ARG A 64 -5.995 -3.137 -3.886 1.00 0.00 C ATOM 988 O ARG A 64 -5.600 -4.157 -4.448 1.00 0.00 O ATOM 989 CB ARG A 64 -5.321 -0.740 -3.691 1.00 0.00 C ATOM 990 CG ARG A 64 -5.042 -0.492 -5.163 1.00 0.00 C ATOM 991 CD ARG A 64 -3.795 0.352 -5.361 1.00 0.00 C ATOM 992 NE ARG A 64 -4.008 1.742 -4.970 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.495 2.780 -5.625 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.745 2.587 -6.701 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.736 4.014 -5.204 1.00 0.00 N ATOM 0 H ARG A 64 -3.325 -2.168 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.116 -2.233 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.369 -0.523 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.730 -0.045 -3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.922 -1.446 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.897 0.009 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.976 -0.068 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.492 0.312 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.583 1.928 -4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.559 1.640 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.354 3.386 -7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.315 4.167 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.343 4.810 -5.706 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.277 -2.802 -3.812 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.321 -3.635 -4.386 1.00 0.00 C ATOM 1011 C CYS A 65 -9.005 -2.889 -5.514 1.00 0.00 C ATOM 1012 O CYS A 65 -8.959 -1.661 -5.565 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.348 -4.016 -3.319 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.619 -4.584 -1.753 1.00 0.00 S ATOM 0 H CYS A 65 -7.618 -1.955 -3.357 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.869 -4.547 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.985 -3.154 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.991 -4.802 -3.714 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.625 -3.620 -6.425 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.317 -2.980 -7.529 1.00 0.00 C ATOM 1021 C ARG A 66 -11.412 -2.081 -6.978 1.00 0.00 C ATOM 1022 O ARG A 66 -12.114 -2.447 -6.040 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.895 -4.021 -8.492 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.776 -3.432 -9.584 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.013 -2.449 -10.455 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.810 -1.993 -11.590 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.442 -1.007 -12.404 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.294 -0.374 -12.208 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.224 -0.654 -13.415 1.00 0.00 N ATOM 0 H ARG A 66 -9.664 -4.639 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.607 -2.375 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.074 -4.567 -8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.476 -4.745 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.172 -4.236 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.630 -2.929 -9.130 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.712 -1.590 -9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.100 -2.920 -10.819 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.700 -2.457 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.690 -0.642 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.015 0.381 -12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.108 -1.138 -13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.941 0.102 -14.039 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.552 -0.908 -7.567 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.547 0.049 -7.124 1.00 0.00 C ATOM 1045 C HIS A 67 -13.939 -0.584 -7.069 1.00 0.00 C ATOM 1046 O HIS A 67 -14.497 -0.946 -8.105 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.555 1.249 -8.068 1.00 0.00 C ATOM 1048 CG HIS A 67 -11.258 1.997 -8.101 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -10.808 3.021 -7.340 1.00 0.00 N flip ATOM 1050 CD2 HIS A 67 -10.251 1.719 -9.001 1.00 0.00 C flip ATOM 1051 CE1 HIS A 67 -9.550 3.340 -7.790 1.00 0.00 C flip ATOM 1052 NE2 HIS A 67 -9.237 2.540 -8.792 1.00 0.00 N flip ATOM 0 H HIS A 67 -10.987 -0.595 -8.356 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.288 0.375 -6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.792 0.906 -9.075 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.350 1.931 -7.768 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.286 0.950 -9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.919 4.119 -7.389 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.362 2.553 -9.316 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.510 -0.738 -5.851 1.00 0.00 N ATOM 1062 CA PRO A 68 -15.845 -1.307 -5.659 1.00 0.00 C ATOM 1063 C PRO A 68 -16.815 -0.885 -6.751 1.00 0.00 C ATOM 1064 O PRO A 68 -17.686 -1.653 -7.157 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.268 -0.698 -4.329 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.000 -0.590 -3.552 1.00 0.00 C ATOM 1067 CD PRO A 68 -13.897 -0.358 -4.560 1.00 0.00 C ATOM 0 HA PRO A 68 -15.841 -2.397 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.733 0.278 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.996 -1.328 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.052 0.232 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.817 -1.499 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.571 0.682 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.020 -0.966 -4.340 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.650 0.342 -7.227 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.528 0.864 -8.250 1.00 0.00 C ATOM 1077 C GLY A 69 -18.484 1.901 -7.692 1.00 0.00 C ATOM 1078 O GLY A 69 -18.383 2.306 -6.533 1.00 0.00 O ATOM 0 H GLY A 69 -15.920 0.985 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.933 1.309 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.096 0.047 -8.694 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.413 2.319 -8.538 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.396 3.314 -8.144 1.00 0.00 C ATOM 1084 C GLU A 70 -21.520 2.672 -7.331 1.00 0.00 C ATOM 1085 O GLU A 70 -22.037 1.613 -7.685 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.960 4.044 -9.363 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.930 5.162 -9.010 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.333 6.174 -8.052 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -20.579 7.056 -8.514 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.621 6.086 -6.840 1.00 0.00 O ATOM 0 H GLU A 70 -19.506 1.986 -9.498 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.894 4.049 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.135 4.460 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.467 3.324 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.239 5.671 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.827 4.732 -8.565 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.886 3.338 -6.239 1.00 0.00 N ATOM 1098 CA LEU A 71 -22.963 2.876 -5.366 1.00 0.00 C ATOM 1099 C LEU A 71 -24.252 3.573 -5.771 1.00 0.00 C ATOM 1100 O LEU A 71 -24.463 4.736 -5.424 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.635 3.201 -3.900 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.173 2.225 -2.843 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -22.974 2.802 -1.450 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.643 1.896 -3.076 1.00 0.00 C ATOM 0 H LEU A 71 -21.448 4.208 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.075 1.796 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.551 3.252 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.024 4.194 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.611 1.295 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.359 2.102 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -21.911 2.970 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.509 3.748 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.987 1.203 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.233 2.812 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -24.762 1.438 -4.058 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.105 2.884 -6.522 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.371 3.485 -6.930 1.00 0.00 C ATOM 1118 C ARG A 72 -27.228 3.755 -5.699 1.00 0.00 C ATOM 1119 O ARG A 72 -27.549 2.853 -4.924 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.113 2.624 -7.953 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.350 3.296 -8.528 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.063 2.398 -9.527 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.069 3.125 -10.296 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.847 2.559 -11.214 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.750 1.261 -11.463 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.725 3.294 -11.883 1.00 0.00 N ATOM 0 H ARG A 72 -24.950 1.932 -6.854 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.157 4.432 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.433 2.374 -8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.405 1.685 -7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.033 3.555 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.065 4.228 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.332 1.961 -10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.538 1.572 -8.997 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.181 4.123 -10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.077 0.692 -10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.349 0.831 -12.168 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.803 4.293 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.322 2.860 -12.587 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.573 5.035 -5.547 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.330 5.535 -4.404 1.00 0.00 C ATOM 1142 C ASN A 73 -27.397 5.595 -3.201 1.00 0.00 C ATOM 1143 O ASN A 73 -27.776 6.046 -2.122 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.560 4.670 -4.108 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.533 4.629 -5.270 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.380 3.635 -6.138 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.418 5.477 -5.384 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.331 5.759 -6.223 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.707 6.532 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.239 3.656 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.069 5.057 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.500 6.224 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.069 5.432 -6.168 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.172 5.124 -3.406 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.195 5.143 -2.337 1.00 0.00 C ATOM 1156 C GLY A 74 -24.026 6.075 -2.604 1.00 0.00 C ATOM 1157 O GLY A 74 -23.944 6.697 -3.663 1.00 0.00 O ATOM 0 H GLY A 74 -25.841 4.732 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.686 5.444 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -24.816 4.133 -2.183 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.120 6.165 -1.633 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.950 7.027 -1.754 1.00 0.00 C ATOM 1163 C GLN A 75 -20.707 6.359 -1.171 1.00 0.00 C ATOM 1164 O GLN A 75 -20.325 6.633 -0.033 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.197 8.363 -1.046 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.285 9.207 -1.689 1.00 0.00 C ATOM 1167 CD GLN A 75 -22.877 9.750 -3.043 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.696 9.986 -3.300 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -23.854 9.955 -3.918 1.00 0.00 N ATOM 0 H GLN A 75 -23.175 5.651 -0.754 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.779 7.206 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.467 8.169 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.268 8.933 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -24.188 8.606 -1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -23.534 10.038 -1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.819 9.746 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -23.640 10.322 -4.845 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.091 5.466 -1.948 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.884 4.765 -1.516 1.00 0.00 C ATOM 1180 C VAL A 76 -17.870 5.744 -0.933 1.00 0.00 C ATOM 1181 O VAL A 76 -17.329 6.587 -1.650 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.229 4.003 -2.688 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -16.999 3.244 -2.214 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.225 3.051 -3.332 1.00 0.00 C ATOM 0 H VAL A 76 -20.411 5.212 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.184 4.050 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.917 4.732 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.552 2.714 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.275 3.946 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.288 2.527 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.744 2.524 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.570 2.330 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.076 3.617 -3.711 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.620 5.634 0.366 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.678 6.527 1.032 1.00 0.00 C ATOM 1196 C GLU A 77 -15.233 6.115 0.759 1.00 0.00 C ATOM 1197 O GLU A 77 -14.621 5.394 1.547 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.945 6.560 2.539 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.971 7.429 3.317 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.519 7.855 4.666 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.218 8.889 4.724 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.249 7.156 5.665 1.00 0.00 O ATOM 0 H GLU A 77 -18.053 4.941 0.976 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.825 7.528 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.958 6.923 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.901 5.543 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.039 6.883 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.732 8.316 2.730 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.699 6.572 -0.371 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.320 6.278 -0.741 1.00 0.00 C ATOM 1211 C ILE A 78 -12.496 7.561 -0.733 1.00 0.00 C ATOM 1212 O ILE A 78 -12.959 8.609 -1.185 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.221 5.592 -2.130 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -12.700 4.159 -1.986 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.318 6.376 -3.073 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.726 3.182 -1.461 1.00 0.00 C ATOM 0 H ILE A 78 -15.202 7.148 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.923 5.580 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.224 5.568 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.347 3.812 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.840 4.162 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.270 5.869 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.720 7.380 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.317 6.441 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.280 2.190 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -14.062 3.502 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.577 3.148 -2.141 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.282 7.474 -0.211 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.398 8.630 -0.136 1.00 0.00 C ATOM 1230 C LYS A 79 -8.949 8.186 -0.073 1.00 0.00 C ATOM 1231 O LYS A 79 -8.059 8.836 -0.622 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.721 9.474 1.100 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.679 8.695 2.407 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.943 7.877 2.624 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.926 7.185 3.977 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.237 6.560 4.304 1.00 0.00 N ATOM 0 H LYS A 79 -10.885 6.614 0.168 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.553 9.231 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.013 10.301 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.712 9.911 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.814 8.032 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.549 9.388 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.816 8.527 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.038 7.133 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.149 6.420 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.667 7.908 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.120 5.908 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.921 7.301 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.587 6.034 3.478 1.00 0.00 H new ATOM 1250 N THR A 80 -8.726 7.075 0.609 1.00 0.00 N ATOM 1251 CA THR A 80 -7.389 6.541 0.764 1.00 0.00 C ATOM 1252 C THR A 80 -7.038 5.646 -0.411 1.00 0.00 C ATOM 1253 O THR A 80 -6.137 4.811 -0.326 1.00 0.00 O ATOM 1254 CB THR A 80 -7.261 5.750 2.077 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.027 4.542 2.000 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.746 6.590 3.251 1.00 0.00 C ATOM 0 H THR A 80 -9.456 6.527 1.064 1.00 0.00 H new ATOM 0 HA THR A 80 -6.694 7.380 0.795 1.00 0.00 H new ATOM 0 HB THR A 80 -6.211 5.500 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.938 4.044 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.649 6.017 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.145 7.497 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.791 6.859 3.099 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.769 5.831 -1.510 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.548 5.052 -2.723 1.00 0.00 C ATOM 1266 C ASP A 81 -7.885 3.588 -2.496 1.00 0.00 C ATOM 1267 O ASP A 81 -7.574 2.730 -3.321 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.096 5.172 -3.157 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.724 6.577 -3.588 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.917 6.904 -4.779 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.239 7.350 -2.736 1.00 0.00 O ATOM 0 H ASP A 81 -8.521 6.516 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.200 5.445 -3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.450 4.867 -2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.910 4.483 -3.981 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.490 3.325 -1.343 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.886 1.980 -0.935 1.00 0.00 C ATOM 1278 C LEU A 82 -7.677 1.053 -0.955 1.00 0.00 C ATOM 1279 O LEU A 82 -7.581 0.129 -1.760 1.00 0.00 O ATOM 1280 CB LEU A 82 -10.074 1.445 -1.732 1.00 0.00 C ATOM 1281 CG LEU A 82 -9.869 1.241 -3.216 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.512 -0.065 -3.607 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.454 2.402 -3.999 1.00 0.00 C ATOM 0 H LEU A 82 -8.722 4.045 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.248 2.027 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.372 0.491 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.910 2.132 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.805 1.203 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.376 -0.232 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.049 -0.880 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.577 -0.029 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.297 2.238 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.523 2.476 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.963 3.328 -3.698 1.00 0.00 H new ATOM 1295 N SER A 83 -6.759 1.335 -0.046 1.00 0.00 N ATOM 1296 CA SER A 83 -5.553 0.530 0.097 1.00 0.00 C ATOM 1297 C SER A 83 -5.778 -0.604 1.089 1.00 0.00 C ATOM 1298 O SER A 83 -6.406 -0.403 2.129 1.00 0.00 O ATOM 1299 CB SER A 83 -4.384 1.401 0.560 1.00 0.00 C ATOM 1300 OG SER A 83 -4.090 2.405 -0.395 1.00 0.00 O ATOM 0 H SER A 83 -6.824 2.116 0.606 1.00 0.00 H new ATOM 0 HA SER A 83 -5.313 0.101 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.627 1.864 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.504 0.779 0.722 1.00 0.00 H new ATOM 0 HG SER A 83 -4.772 3.107 -0.352 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.282 -1.798 0.747 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.417 -2.968 1.615 1.00 0.00 C ATOM 1308 C PHE A 84 -5.398 -2.544 3.078 1.00 0.00 C ATOM 1309 O PHE A 84 -4.568 -1.728 3.481 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.288 -3.969 1.337 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.220 -5.113 2.311 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -3.545 -4.979 3.516 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.825 -6.324 2.020 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -3.478 -6.030 4.411 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.760 -7.380 2.911 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.088 -7.232 4.107 1.00 0.00 C ATOM 0 H PHE A 84 -4.784 -1.977 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.371 -3.451 1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.414 -4.371 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.336 -3.438 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.066 -4.042 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.354 -6.445 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.950 -5.912 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.235 -8.320 2.671 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.039 -8.055 4.805 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.306 -3.095 3.877 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.376 -2.736 5.276 1.00 0.00 C ATOM 1328 C GLY A 85 -7.403 -1.645 5.515 1.00 0.00 C ATOM 1329 O GLY A 85 -7.439 -1.038 6.586 1.00 0.00 O ATOM 0 H GLY A 85 -6.995 -3.785 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.632 -3.615 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.397 -2.398 5.616 1.00 0.00 H new ATOM 1333 N SER A 86 -8.243 -1.397 4.508 1.00 0.00 N ATOM 1334 CA SER A 86 -9.274 -0.366 4.603 1.00 0.00 C ATOM 1335 C SER A 86 -10.678 -0.968 4.593 1.00 0.00 C ATOM 1336 O SER A 86 -10.916 -2.016 3.994 1.00 0.00 O ATOM 1337 CB SER A 86 -9.131 0.636 3.456 1.00 0.00 C ATOM 1338 OG SER A 86 -9.168 -0.016 2.199 1.00 0.00 O ATOM 0 H SER A 86 -8.228 -1.896 3.619 1.00 0.00 H new ATOM 0 HA SER A 86 -9.135 0.149 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.933 1.372 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.192 1.179 3.559 1.00 0.00 H new ATOM 0 HG SER A 86 -8.259 -0.268 1.934 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.598 -0.287 5.272 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.981 -0.753 5.352 1.00 0.00 C ATOM 1346 C GLN A 87 -13.855 -0.035 4.324 1.00 0.00 C ATOM 1347 O GLN A 87 -14.757 -0.627 3.743 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.546 -0.564 6.761 1.00 0.00 C ATOM 1349 CG GLN A 87 -13.101 0.721 7.433 1.00 0.00 C ATOM 1350 CD GLN A 87 -13.805 1.947 6.889 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.044 1.770 6.448 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -13.243 3.041 6.867 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.414 0.583 5.771 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.987 -1.819 5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.635 -0.578 6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.245 -1.409 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.287 0.648 8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.025 0.839 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.289 3.131 7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.731 3.858 6.499 1.00 0.00 H new ATOM 1361 N ILE A 88 -13.590 1.250 4.140 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.323 2.079 3.178 1.00 0.00 C ATOM 1363 C ILE A 88 -15.831 1.937 3.372 1.00 0.00 C ATOM 1364 O ILE A 88 -16.493 1.135 2.714 1.00 0.00 O ATOM 1365 CB ILE A 88 -13.943 1.782 1.698 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.336 0.364 1.271 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -12.451 1.991 1.480 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.732 0.263 -0.186 1.00 0.00 C ATOM 0 H ILE A 88 -12.863 1.752 4.650 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.028 3.108 3.381 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.504 2.482 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.500 -0.309 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.166 0.023 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.202 1.779 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.190 3.024 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.891 1.320 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.998 -0.768 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.588 0.911 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.896 0.573 -0.813 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.371 2.723 4.296 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.794 2.682 4.585 1.00 0.00 C ATOM 1382 C GLU A 89 -18.601 3.175 3.392 1.00 0.00 C ATOM 1383 O GLU A 89 -18.056 3.779 2.470 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.112 3.531 5.817 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.492 3.263 6.398 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.767 4.063 7.656 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -20.165 5.241 7.536 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -19.588 3.509 8.761 1.00 0.00 O ATOM 0 H GLU A 89 -15.844 3.394 4.855 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.070 1.647 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.361 3.341 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.037 4.585 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.248 3.500 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.587 2.200 6.621 1.00 0.00 H new ATOM 1395 N PHE A 90 -19.899 2.908 3.415 1.00 0.00 N ATOM 1396 CA PHE A 90 -20.785 3.333 2.340 1.00 0.00 C ATOM 1397 C PHE A 90 -21.776 4.361 2.864 1.00 0.00 C ATOM 1398 O PHE A 90 -21.742 4.714 4.043 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.526 2.131 1.751 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.608 1.062 1.228 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.167 0.042 2.058 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.187 1.072 -0.095 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.326 -0.943 1.580 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.346 0.089 -0.577 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.915 -0.920 0.260 1.00 0.00 C ATOM 0 H PHE A 90 -20.363 2.398 4.167 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.188 3.788 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.173 1.702 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.172 2.472 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.485 0.018 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.522 1.859 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.989 -1.731 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.026 0.110 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.258 -1.690 -0.115 1.00 0.00 H new ATOM 1415 N SER A 91 -22.661 4.843 1.997 1.00 0.00 N ATOM 1416 CA SER A 91 -23.645 5.838 2.411 1.00 0.00 C ATOM 1417 C SER A 91 -24.870 5.828 1.509 1.00 0.00 C ATOM 1418 O SER A 91 -24.804 6.227 0.348 1.00 0.00 O ATOM 1419 CB SER A 91 -23.028 7.234 2.417 1.00 0.00 C ATOM 1420 OG SER A 91 -21.854 7.274 3.210 1.00 0.00 O ATOM 0 H SER A 91 -22.718 4.566 1.017 1.00 0.00 H new ATOM 0 HA SER A 91 -23.961 5.576 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.790 7.533 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.753 7.953 2.800 1.00 0.00 H new ATOM 0 HG SER A 91 -21.829 6.490 3.797 1.00 0.00 H new ATOM 1426 N CYS A 92 -25.988 5.385 2.063 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.227 5.348 1.302 1.00 0.00 C ATOM 1428 C CYS A 92 -27.966 6.670 1.470 1.00 0.00 C ATOM 1429 O CYS A 92 -28.394 7.019 2.570 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.101 4.170 1.734 1.00 0.00 C ATOM 1431 SG CYS A 92 -29.307 3.659 0.479 1.00 0.00 S ATOM 0 H CYS A 92 -26.064 5.050 3.024 1.00 0.00 H new ATOM 0 HA CYS A 92 -26.991 5.207 0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.460 3.322 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -28.632 4.438 2.647 1.00 0.00 H new ATOM 1436 N SER A 93 -28.095 7.404 0.368 1.00 0.00 N ATOM 1437 CA SER A 93 -28.756 8.710 0.386 1.00 0.00 C ATOM 1438 C SER A 93 -30.089 8.683 1.126 1.00 0.00 C ATOM 1439 O SER A 93 -30.628 7.622 1.441 1.00 0.00 O ATOM 1440 CB SER A 93 -28.978 9.217 -1.039 1.00 0.00 C ATOM 1441 OG SER A 93 -29.452 8.182 -1.881 1.00 0.00 O ATOM 0 H SER A 93 -27.752 7.119 -0.549 1.00 0.00 H new ATOM 0 HA SER A 93 -28.092 9.387 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.695 10.038 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.044 9.614 -1.436 1.00 0.00 H new ATOM 0 HG SER A 93 -30.362 7.934 -1.614 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.608 9.880 1.388 1.00 0.00 N ATOM 1448 CA GLU A 94 -31.878 10.057 2.084 1.00 0.00 C ATOM 1449 C GLU A 94 -32.953 9.129 1.523 1.00 0.00 C ATOM 1450 O GLU A 94 -32.921 8.749 0.352 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.324 11.514 1.957 1.00 0.00 C ATOM 1452 CG GLU A 94 -33.742 11.771 2.435 1.00 0.00 C ATOM 1453 CD GLU A 94 -33.888 11.634 3.938 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -33.408 12.529 4.665 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.483 10.633 4.388 1.00 0.00 O ATOM 0 H GLU A 94 -30.158 10.756 1.123 1.00 0.00 H new ATOM 0 HA GLU A 94 -31.736 9.803 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.640 12.143 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.243 11.818 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.046 12.774 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.419 11.072 1.943 1.00 0.00 H new ATOM 1462 N GLY A 95 -33.907 8.776 2.381 1.00 0.00 N ATOM 1463 CA GLY A 95 -34.998 7.906 1.979 1.00 0.00 C ATOM 1464 C GLY A 95 -34.615 6.440 1.955 1.00 0.00 C ATOM 1465 O GLY A 95 -35.422 5.584 2.313 1.00 0.00 O ATOM 0 H GLY A 95 -33.943 9.080 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.836 8.045 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.343 8.201 0.988 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.390 6.141 1.538 1.00 0.00 N ATOM 1470 CA PHE A 96 -32.941 4.755 1.465 1.00 0.00 C ATOM 1471 C PHE A 96 -31.884 4.493 2.531 1.00 0.00 C ATOM 1472 O PHE A 96 -31.128 5.390 2.902 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.372 4.429 0.084 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.745 5.412 -0.983 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.063 5.558 -1.387 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -31.772 6.191 -1.583 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.403 6.466 -2.371 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.105 7.101 -2.569 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.423 7.238 -2.963 1.00 0.00 C ATOM 0 H PHE A 96 -32.697 6.831 1.248 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.804 4.112 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.285 4.381 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.717 3.439 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.832 4.955 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -30.741 6.087 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.433 6.572 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.337 7.704 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 96 -33.686 7.948 -3.733 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.834 3.258 3.017 1.00 0.00 N ATOM 1490 CA PHE A 97 -30.877 2.889 4.051 1.00 0.00 C ATOM 1491 C PHE A 97 -29.797 1.965 3.508 1.00 0.00 C ATOM 1492 O PHE A 97 -29.913 1.399 2.422 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.596 2.224 5.231 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.193 0.878 4.917 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.159 0.741 3.931 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -31.795 -0.249 5.619 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -33.716 -0.494 3.652 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.348 -1.485 5.344 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.311 -1.608 4.360 1.00 0.00 C ATOM 0 H PHE A 97 -32.443 2.498 2.712 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.394 3.803 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -30.890 2.112 6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.388 2.887 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.480 1.609 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.044 -0.160 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -34.467 -0.587 2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.028 -2.355 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 97 -33.746 -2.573 4.146 1.00 0.00 H new ATOM 1509 N LEU A 98 -28.746 1.832 4.307 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.618 0.981 3.966 1.00 0.00 C ATOM 1511 C LEU A 98 -27.906 -0.452 4.394 1.00 0.00 C ATOM 1512 O LEU A 98 -28.438 -0.688 5.479 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.348 1.501 4.657 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.020 0.903 4.173 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.899 -0.559 4.571 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.872 1.059 2.670 1.00 0.00 C ATOM 0 H LEU A 98 -28.653 2.309 5.204 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.463 1.000 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.305 2.582 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.439 1.313 5.727 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.213 1.453 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.948 -0.956 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.944 -0.645 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.718 -1.126 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.923 0.628 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.691 0.544 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.895 2.117 2.410 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.558 -1.405 3.537 1.00 0.00 N ATOM 1529 CA ILE A 99 -27.764 -2.821 3.810 1.00 0.00 C ATOM 1530 C ILE A 99 -26.817 -3.653 2.968 1.00 0.00 C ATOM 1531 O ILE A 99 -26.727 -3.497 1.753 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.194 -3.261 3.463 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.019 -2.061 3.015 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -29.842 -3.947 4.653 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.145 -2.407 2.067 1.00 0.00 C ATOM 0 H ILE A 99 -27.125 -1.217 2.633 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.583 -2.971 4.874 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.151 -3.976 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.436 -1.571 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.360 -1.340 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -30.855 -4.252 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.258 -4.825 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -29.879 -3.256 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -31.684 -1.499 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -30.735 -2.868 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -31.829 -3.103 2.553 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.124 -4.553 3.646 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.151 -5.404 2.998 1.00 0.00 C ATOM 1549 C GLY A 100 -23.917 -5.567 3.853 1.00 0.00 C ATOM 1550 O GLY A 100 -23.529 -6.679 4.210 1.00 0.00 O ATOM 0 H GLY A 100 -26.221 -4.710 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.592 -6.381 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -24.875 -4.978 2.033 1.00 0.00 H new ATOM 1554 N SER A 101 -23.323 -4.428 4.182 1.00 0.00 N ATOM 1555 CA SER A 101 -22.119 -4.353 4.996 1.00 0.00 C ATOM 1556 C SER A 101 -21.562 -2.943 4.892 1.00 0.00 C ATOM 1557 O SER A 101 -20.911 -2.604 3.904 1.00 0.00 O ATOM 1558 CB SER A 101 -21.069 -5.361 4.524 1.00 0.00 C ATOM 1559 OG SER A 101 -19.909 -5.304 5.335 1.00 0.00 O ATOM 0 H SER A 101 -23.670 -3.516 3.886 1.00 0.00 H new ATOM 0 HA SER A 101 -22.368 -4.593 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.487 -6.367 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.803 -5.155 3.487 1.00 0.00 H new ATOM 0 HG SER A 101 -19.309 -4.606 4.999 1.00 0.00 H new ATOM 1565 N THR A 102 -21.813 -2.117 5.902 1.00 0.00 N ATOM 1566 CA THR A 102 -21.358 -0.737 5.871 1.00 0.00 C ATOM 1567 C THR A 102 -19.849 -0.666 5.764 1.00 0.00 C ATOM 1568 O THR A 102 -19.290 0.383 5.458 1.00 0.00 O ATOM 1569 CB THR A 102 -21.799 0.042 7.124 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.047 -0.399 8.260 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.282 -0.153 7.395 1.00 0.00 C ATOM 0 H THR A 102 -22.325 -2.379 6.745 1.00 0.00 H new ATOM 0 HA THR A 102 -21.814 -0.281 4.992 1.00 0.00 H new ATOM 0 HB THR A 102 -21.615 1.101 6.946 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.330 0.101 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.566 0.408 8.285 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.858 0.205 6.542 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.487 -1.212 7.553 1.00 0.00 H new ATOM 1579 N THR A 103 -19.193 -1.781 6.015 1.00 0.00 N ATOM 1580 CA THR A 103 -17.751 -1.840 5.929 1.00 0.00 C ATOM 1581 C THR A 103 -17.336 -2.806 4.835 1.00 0.00 C ATOM 1582 O THR A 103 -18.115 -3.664 4.420 1.00 0.00 O ATOM 1583 CB THR A 103 -17.125 -2.246 7.263 1.00 0.00 C ATOM 1584 OG1 THR A 103 -17.711 -3.463 7.741 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.306 -1.141 8.292 1.00 0.00 C ATOM 0 H THR A 103 -19.638 -2.659 6.281 1.00 0.00 H new ATOM 0 HA THR A 103 -17.387 -0.842 5.684 1.00 0.00 H new ATOM 0 HB THR A 103 -16.059 -2.409 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.299 -3.711 8.595 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.855 -1.446 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.824 -0.230 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.369 -0.954 8.442 1.00 0.00 H new ATOM 1593 N SER A 104 -16.109 -2.660 4.368 1.00 0.00 N ATOM 1594 CA SER A 104 -15.563 -3.535 3.344 1.00 0.00 C ATOM 1595 C SER A 104 -14.058 -3.621 3.535 1.00 0.00 C ATOM 1596 O SER A 104 -13.342 -2.650 3.307 1.00 0.00 O ATOM 1597 CB SER A 104 -15.904 -3.023 1.942 1.00 0.00 C ATOM 1598 OG SER A 104 -17.296 -3.113 1.696 1.00 0.00 O ATOM 0 H SER A 104 -15.465 -1.936 4.685 1.00 0.00 H new ATOM 0 HA SER A 104 -16.005 -4.527 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.579 -1.988 1.839 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.361 -3.603 1.196 1.00 0.00 H new ATOM 0 HG SER A 104 -17.623 -2.257 1.349 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.573 -4.794 3.916 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.157 -4.985 4.184 1.00 0.00 C ATOM 1606 C ARG A 105 -11.399 -5.385 2.934 1.00 0.00 C ATOM 1607 O ARG A 105 -11.843 -6.237 2.165 1.00 0.00 O ATOM 1608 CB ARG A 105 -11.963 -6.043 5.273 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.727 -5.746 6.552 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.500 -6.819 7.607 1.00 0.00 C ATOM 1611 NE ARG A 105 -11.152 -6.763 8.169 1.00 0.00 N ATOM 1612 CZ ARG A 105 -10.686 -7.633 9.062 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.454 -8.631 9.482 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -9.453 -7.507 9.534 1.00 0.00 N ATOM 0 H ARG A 105 -14.143 -5.630 4.047 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.755 -4.032 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.280 -7.012 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.901 -6.124 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.416 -4.778 6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.792 -5.673 6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.231 -6.700 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.667 -7.801 7.166 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.533 -6.014 7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.402 -8.732 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.096 -9.297 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.860 -6.742 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.098 -8.175 10.218 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.248 -4.760 2.743 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.412 -5.054 1.601 1.00 0.00 C ATOM 1630 C CYS A 106 -8.479 -6.189 1.969 1.00 0.00 C ATOM 1631 O CYS A 106 -7.606 -6.034 2.822 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.623 -3.816 1.177 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.121 -3.130 -0.431 1.00 0.00 S ATOM 0 H CYS A 106 -9.875 -4.045 3.368 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.032 -5.350 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.739 -3.046 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.564 -4.069 1.139 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.674 -7.330 1.335 1.00 0.00 N ATOM 1639 CA GLU A 107 -7.878 -8.505 1.632 1.00 0.00 C ATOM 1640 C GLU A 107 -7.021 -8.905 0.438 1.00 0.00 C ATOM 1641 O GLU A 107 -7.070 -8.270 -0.614 1.00 0.00 O ATOM 1642 CB GLU A 107 -8.811 -9.645 2.042 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.105 -10.831 2.678 1.00 0.00 C ATOM 1644 CD GLU A 107 -9.051 -11.977 2.982 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.656 -11.971 4.075 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -9.187 -12.877 2.128 1.00 0.00 O ATOM 0 H GLU A 107 -9.378 -7.468 0.610 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.198 -8.280 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.551 -9.259 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.354 -9.989 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.318 -11.182 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.621 -10.510 3.600 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.211 -9.938 0.630 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.350 -10.429 -0.434 1.00 0.00 C ATOM 1655 C VAL A 108 -5.405 -11.941 -0.588 1.00 0.00 C ATOM 1656 O VAL A 108 -5.268 -12.696 0.375 1.00 0.00 O ATOM 1657 CB VAL A 108 -3.884 -9.998 -0.235 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -2.950 -10.853 -1.080 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -3.725 -8.532 -0.586 1.00 0.00 C ATOM 0 H VAL A 108 -6.133 -10.449 1.509 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.738 -9.976 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.618 -10.142 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.921 -10.531 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.051 -11.899 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.209 -10.743 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.686 -8.234 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.008 -8.374 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.367 -7.932 0.059 1.00 0.00 H new ATOM 1669 N GLN A 109 -5.611 -12.356 -1.831 1.00 0.00 N ATOM 1670 CA GLN A 109 -5.667 -13.766 -2.174 1.00 0.00 C ATOM 1671 C GLN A 109 -4.308 -14.242 -2.674 1.00 0.00 C ATOM 1672 O GLN A 109 -3.277 -13.664 -2.328 1.00 0.00 O ATOM 1673 CB GLN A 109 -6.740 -14.010 -3.239 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.070 -13.326 -2.944 1.00 0.00 C ATOM 1675 CD GLN A 109 -8.687 -13.768 -1.629 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -9.488 -12.892 -1.025 1.00 0.00 O flip ATOM 1677 NE2 GLN A 109 -8.458 -14.886 -1.166 1.00 0.00 N flip ATOM 0 H GLN A 109 -5.743 -11.727 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.927 -14.333 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.368 -13.660 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.907 -15.083 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.920 -12.247 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.768 -13.536 -3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.838 -15.526 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.889 -15.172 -0.287 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.318 -15.301 -3.476 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.089 -15.868 -4.034 1.00 0.00 C ATOM 1688 C ASP A 110 -2.079 -14.784 -4.386 1.00 0.00 C ATOM 1689 O ASP A 110 -1.042 -14.651 -3.733 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.405 -16.704 -5.275 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.109 -18.002 -4.933 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -3.411 -18.994 -4.632 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -5.357 -18.029 -4.966 1.00 0.00 O ATOM 0 H ASP A 110 -5.168 -15.789 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.646 -16.507 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.030 -16.122 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.479 -16.925 -5.806 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.387 -14.014 -5.416 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.511 -12.944 -5.861 1.00 0.00 C ATOM 1700 C ARG A 111 -2.271 -11.916 -6.694 1.00 0.00 C ATOM 1701 O ARG A 111 -2.306 -11.989 -7.922 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.347 -13.528 -6.661 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.788 -14.382 -7.837 1.00 0.00 C ATOM 1704 CD ARG A 111 0.397 -14.982 -8.575 1.00 0.00 C ATOM 1705 NE ARG A 111 -0.027 -15.912 -9.617 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.816 -16.593 -10.389 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.124 -16.442 -10.242 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.349 -17.426 -11.309 1.00 0.00 N ATOM 0 H ARG A 111 -3.243 -14.111 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.120 -12.431 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.277 -12.713 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.274 -14.130 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.438 -15.182 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.376 -13.776 -8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.990 -14.183 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.042 -15.501 -7.866 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.028 -16.048 -9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.487 -15.802 -9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.768 -16.965 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.657 -17.545 -11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.996 -17.948 -11.900 1.00 0.00 H new ATOM 1722 N GLY A 112 -2.884 -10.960 -6.009 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.633 -9.923 -6.690 1.00 0.00 C ATOM 1724 C GLY A 112 -4.680 -9.292 -5.805 1.00 0.00 C ATOM 1725 O GLY A 112 -5.577 -8.603 -6.286 1.00 0.00 O ATOM 0 H GLY A 112 -2.876 -10.884 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.946 -9.153 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.114 -10.346 -7.572 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.538 -9.517 -4.501 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.457 -8.983 -3.496 1.00 0.00 C ATOM 1731 C VAL A 113 -6.912 -9.333 -3.801 1.00 0.00 C ATOM 1732 O VAL A 113 -7.347 -9.366 -4.951 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.298 -7.450 -3.294 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.276 -6.873 -4.250 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.626 -6.723 -3.429 1.00 0.00 C ATOM 0 H VAL A 113 -3.780 -10.076 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.182 -9.468 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.938 -7.298 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.188 -5.799 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.310 -7.347 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.594 -7.056 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.472 -5.654 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.036 -6.896 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.323 -7.097 -2.679 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.651 -9.604 -2.740 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.040 -9.953 -2.919 1.00 0.00 C ATOM 1747 C GLY A 114 -9.975 -8.968 -2.247 1.00 0.00 C ATOM 1748 O GLY A 114 -9.650 -8.427 -1.190 1.00 0.00 O ATOM 0 H GLY A 114 -7.322 -9.589 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.267 -9.996 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.216 -10.950 -2.515 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.133 -8.728 -2.847 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.119 -7.820 -2.273 1.00 0.00 C ATOM 1754 C TRP A 115 -13.142 -8.609 -1.464 1.00 0.00 C ATOM 1755 O TRP A 115 -13.889 -9.416 -2.018 1.00 0.00 O ATOM 1756 CB TRP A 115 -12.842 -7.018 -3.365 1.00 0.00 C ATOM 1757 CG TRP A 115 -12.778 -5.528 -3.180 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.593 -4.595 -4.158 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.899 -4.798 -1.951 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.593 -3.332 -3.615 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.778 -3.430 -2.265 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.099 -5.165 -0.617 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.850 -2.432 -1.296 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.169 -4.173 0.342 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.046 -2.821 -0.001 1.00 0.00 C ATOM 0 H TRP A 115 -11.414 -9.150 -3.732 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.592 -7.121 -1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.409 -7.272 -4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -13.888 -7.325 -3.393 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.465 -4.817 -5.207 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.474 -2.463 -4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.197 -6.205 -0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.754 -1.389 -1.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.321 -4.445 1.376 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.107 -2.071 0.773 1.00 0.00 H new ATOM 1776 N SER A 116 -13.168 -8.385 -0.155 1.00 0.00 N ATOM 1777 CA SER A 116 -14.108 -9.085 0.713 1.00 0.00 C ATOM 1778 C SER A 116 -15.536 -8.934 0.188 1.00 0.00 C ATOM 1779 O SER A 116 -16.192 -9.921 -0.146 1.00 0.00 O ATOM 1780 CB SER A 116 -14.017 -8.549 2.144 1.00 0.00 C ATOM 1781 OG SER A 116 -14.327 -7.167 2.192 1.00 0.00 O ATOM 0 H SER A 116 -12.553 -7.729 0.326 1.00 0.00 H new ATOM 0 HA SER A 116 -13.846 -10.143 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.703 -9.101 2.787 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.012 -8.713 2.534 1.00 0.00 H new ATOM 0 HG SER A 116 -13.521 -6.644 1.998 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.006 -7.689 0.117 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.352 -7.394 -0.373 1.00 0.00 C ATOM 1789 C HIS A 117 -17.391 -6.029 -1.062 1.00 0.00 C ATOM 1790 O HIS A 117 -16.709 -5.097 -0.639 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.359 -7.421 0.780 1.00 0.00 C ATOM 1792 CG HIS A 117 -18.500 -8.763 1.423 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -17.946 -9.072 2.647 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -19.139 -9.882 1.008 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -18.236 -10.323 2.957 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -18.959 -10.837 1.978 1.00 0.00 N ATOM 0 H HIS A 117 -15.472 -6.865 0.394 1.00 0.00 H new ATOM 0 HA HIS A 117 -17.622 -8.161 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.053 -6.697 1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.333 -7.102 0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -19.688 -10.001 0.086 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -17.934 -10.838 3.857 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -19.324 -11.789 1.948 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.197 -5.893 -2.134 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.331 -4.657 -2.884 1.00 0.00 C ATOM 1807 C PRO A 118 -19.544 -3.840 -2.440 1.00 0.00 C ATOM 1808 O PRO A 118 -19.989 -3.945 -1.296 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.525 -5.169 -4.314 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.107 -6.549 -4.178 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.052 -6.929 -2.715 1.00 0.00 C ATOM 0 HA PRO A 118 -17.480 -3.988 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.193 -4.516 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.577 -5.195 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.135 -6.568 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.544 -7.262 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.044 -6.934 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.632 -7.925 -2.573 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.066 -3.024 -3.354 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.229 -2.186 -3.089 1.00 0.00 C ATOM 1821 C LEU A 119 -22.311 -2.931 -2.305 1.00 0.00 C ATOM 1822 O LEU A 119 -22.509 -4.133 -2.486 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.823 -1.685 -4.407 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.820 -1.359 -5.519 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.621 -0.615 -4.955 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.389 -2.623 -6.251 1.00 0.00 C ATOM 0 H LEU A 119 -19.693 -2.927 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 119 -20.889 -1.347 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.515 -2.440 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.409 -0.789 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.311 -0.709 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -18.920 -0.392 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -19.954 0.316 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.128 -1.234 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.677 -2.365 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -19.919 -3.309 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.262 -3.101 -6.696 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.026 -2.210 -1.420 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.101 -2.779 -0.606 1.00 0.00 C ATOM 1840 C PRO A 120 -25.445 -2.786 -1.335 1.00 0.00 C ATOM 1841 O PRO A 120 -25.506 -3.046 -2.538 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.145 -1.824 0.581 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.789 -0.500 -0.003 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.829 -0.778 -1.131 1.00 0.00 C ATOM 0 HA PRO A 120 -23.922 -3.822 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.133 -1.804 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -23.439 -2.120 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.678 0.016 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.331 0.145 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.047 -0.161 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.800 -0.567 -0.841 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.520 -2.497 -0.600 1.00 0.00 N ATOM 1853 CA GLN A 121 -27.858 -2.472 -1.170 1.00 0.00 C ATOM 1854 C GLN A 121 -28.638 -1.248 -0.691 1.00 0.00 C ATOM 1855 O GLN A 121 -28.849 -1.067 0.506 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.611 -3.741 -0.778 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.835 -4.702 -1.932 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.810 -5.809 -1.581 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.415 -6.872 -1.102 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -31.093 -5.562 -1.814 1.00 0.00 N ATOM 0 H GLN A 121 -26.484 -2.277 0.395 1.00 0.00 H new ATOM 0 HA GLN A 121 -27.764 -2.418 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.056 -4.254 0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.577 -3.463 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.211 -4.150 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.882 -5.141 -2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.376 -4.667 -2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.796 -6.268 -1.595 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.052 -0.404 -1.632 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.817 0.789 -1.291 1.00 0.00 C ATOM 1871 C CYS A 122 -31.300 0.600 -1.609 1.00 0.00 C ATOM 1872 O CYS A 122 -31.685 0.515 -2.775 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.275 1.998 -2.052 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.155 3.044 -1.073 1.00 0.00 S ATOM 0 H CYS A 122 -28.872 -0.523 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.714 0.961 -0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.747 1.649 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.113 2.604 -2.397 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.129 0.534 -0.569 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.569 0.360 -0.738 1.00 0.00 C ATOM 1881 C GLU A 123 -34.320 1.420 0.061 1.00 0.00 C ATOM 1882 O GLU A 123 -33.930 1.774 1.173 1.00 0.00 O ATOM 1883 CB GLU A 123 -33.994 -1.032 -0.266 1.00 0.00 C ATOM 1884 CG GLU A 123 -33.610 -2.145 -1.223 1.00 0.00 C ATOM 1885 CD GLU A 123 -33.924 -3.524 -0.677 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.091 -3.954 -0.786 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -33.002 -4.175 -0.140 1.00 0.00 O ATOM 0 H GLU A 123 -31.826 0.599 0.403 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.810 0.467 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.543 -1.229 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -35.075 -1.044 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -34.137 -2.004 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -32.544 -2.079 -1.440 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.403 1.918 -0.528 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.216 2.946 0.108 1.00 0.00 C ATOM 1896 C ILE A 124 -36.890 2.411 1.370 1.00 0.00 C ATOM 1897 O ILE A 124 -37.201 1.223 1.462 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.294 3.479 -0.859 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.061 4.644 -0.227 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.248 2.362 -1.255 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.254 5.920 -0.129 1.00 0.00 C ATOM 0 H ILE A 124 -35.737 1.625 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.547 3.763 0.380 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.799 3.847 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.960 4.837 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.388 4.353 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.003 2.753 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.691 1.565 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.735 1.966 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -37.862 6.701 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.369 5.745 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -36.949 6.235 -1.127 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.110 3.296 2.338 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.748 2.918 3.594 1.00 0.00 C ATOM 1915 C LEU A 125 -39.264 2.861 3.431 1.00 0.00 C ATOM 1916 O LEU A 125 -39.859 1.784 3.421 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.383 3.916 4.696 1.00 0.00 C ATOM 1918 CG LEU A 125 -35.883 4.102 4.935 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -35.637 5.284 5.859 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.271 2.836 5.513 1.00 0.00 C ATOM 0 H LEU A 125 -36.855 4.282 2.276 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.388 1.928 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.818 4.884 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -37.845 3.590 5.628 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.404 4.306 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -34.566 5.404 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.039 6.190 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.130 5.107 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.204 2.989 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -35.752 2.600 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.417 2.010 4.816 1.00 0.00 H new ATOM 1932 N GLU A 126 -39.881 4.034 3.305 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.326 4.128 3.133 1.00 0.00 C ATOM 1934 C GLU A 126 -41.677 5.205 2.110 1.00 0.00 C ATOM 1935 O GLU A 126 -41.163 6.322 2.168 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.008 4.434 4.468 1.00 0.00 C ATOM 1937 CG GLU A 126 -41.919 3.297 5.474 1.00 0.00 C ATOM 1938 CD GLU A 126 -42.658 3.599 6.763 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.874 3.322 6.829 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -42.021 4.111 7.707 1.00 0.00 O ATOM 0 H GLU A 126 -39.400 4.933 3.319 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.686 3.167 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.556 5.327 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -43.058 4.665 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -42.328 2.390 5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -40.871 3.097 5.699 1.00 0.00 H new ATOM 1947 N HIS A 127 -42.557 4.860 1.174 1.00 0.00 N ATOM 1948 CA HIS A 127 -42.974 5.793 0.133 1.00 0.00 C ATOM 1949 C HIS A 127 -44.034 6.757 0.651 1.00 0.00 C ATOM 1950 O HIS A 127 -45.210 6.405 0.760 1.00 0.00 O ATOM 1951 CB HIS A 127 -43.512 5.029 -1.077 1.00 0.00 C ATOM 1952 CG HIS A 127 -43.725 5.890 -2.285 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -42.733 6.150 -3.206 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -44.825 6.549 -2.722 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -43.213 6.932 -4.159 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -44.480 7.188 -3.888 1.00 0.00 N ATOM 0 H HIS A 127 -42.995 3.941 1.116 1.00 0.00 H new ATOM 0 HA HIS A 127 -42.101 6.373 -0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -42.816 4.229 -1.330 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -44.456 4.556 -0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -45.793 6.568 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -42.663 7.299 -5.013 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -45.102 7.767 -4.453 1.00 0.00 H new ATOM 1965 N HIS A 128 -43.608 7.974 0.967 1.00 0.00 N ATOM 1966 CA HIS A 128 -44.514 8.997 1.472 1.00 0.00 C ATOM 1967 C HIS A 128 -43.826 10.358 1.507 1.00 0.00 C ATOM 1968 O HIS A 128 -42.921 10.584 2.310 1.00 0.00 O ATOM 1969 CB HIS A 128 -45.006 8.629 2.874 1.00 0.00 C ATOM 1970 CG HIS A 128 -46.008 9.592 3.431 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -47.371 9.408 3.325 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -45.840 10.754 4.108 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -47.996 10.414 3.910 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -47.091 11.244 4.393 1.00 0.00 N ATOM 0 H HIS A 128 -42.638 8.277 0.882 1.00 0.00 H new ATOM 0 HA HIS A 128 -45.369 9.054 0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -45.449 7.634 2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -44.151 8.577 3.548 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -44.898 11.210 4.374 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -49.067 10.536 3.981 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -47.288 12.109 4.896 1.00 0.00 H new ATOM 1983 N HIS A 129 -44.255 11.260 0.631 1.00 0.00 N ATOM 1984 CA HIS A 129 -43.676 12.597 0.567 1.00 0.00 C ATOM 1985 C HIS A 129 -44.732 13.626 0.177 1.00 0.00 C ATOM 1986 O HIS A 129 -45.125 14.463 0.990 1.00 0.00 O ATOM 1987 CB HIS A 129 -42.520 12.624 -0.437 1.00 0.00 C ATOM 1988 CG HIS A 129 -41.797 13.933 -0.491 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -41.045 14.570 0.438 1.00 0.00 N flip ATOM 1990 CD2 HIS A 129 -41.789 14.743 -1.607 1.00 0.00 C flip ATOM 1991 CE1 HIS A 129 -40.602 15.739 -0.129 1.00 0.00 C flip ATOM 1992 NE2 HIS A 129 -41.064 15.819 -1.363 1.00 0.00 N flip ATOM 0 H HIS A 129 -45.001 11.090 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 129 -43.295 12.853 1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -41.810 11.838 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -42.907 12.392 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -42.297 14.530 -2.536 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -39.977 16.474 0.356 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -40.890 16.582 -2.017 1.00 0.00 H new ATOM 2001 N HIS A 130 -45.188 13.549 -1.070 1.00 0.00 N ATOM 2002 CA HIS A 130 -46.202 14.466 -1.583 1.00 0.00 C ATOM 2003 C HIS A 130 -45.717 15.913 -1.541 1.00 0.00 C ATOM 2004 O HIS A 130 -45.668 16.533 -0.478 1.00 0.00 O ATOM 2005 CB HIS A 130 -47.501 14.331 -0.784 1.00 0.00 C ATOM 2006 CG HIS A 130 -48.117 12.970 -0.867 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -49.171 12.671 -1.705 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -47.823 11.822 -0.212 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -49.501 11.400 -1.560 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -48.697 10.863 -0.660 1.00 0.00 N ATOM 0 H HIS A 130 -44.869 12.857 -1.748 1.00 0.00 H new ATOM 0 HA HIS A 130 -46.391 14.199 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -47.301 14.567 0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -48.218 15.068 -1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -47.046 11.686 0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -50.292 10.888 -2.087 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -48.722 9.892 -0.348 1.00 0.00 H new ATOM 2019 N HIS A 131 -45.360 16.445 -2.707 1.00 0.00 N ATOM 2020 CA HIS A 131 -44.888 17.821 -2.808 1.00 0.00 C ATOM 2021 C HIS A 131 -45.524 18.524 -4.004 1.00 0.00 C ATOM 2022 O HIS A 131 -45.808 17.898 -5.025 1.00 0.00 O ATOM 2023 CB HIS A 131 -43.364 17.856 -2.932 1.00 0.00 C ATOM 2024 CG HIS A 131 -42.781 19.229 -2.793 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -42.257 19.709 -1.612 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -42.638 20.228 -3.698 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -41.817 20.941 -1.795 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -42.036 21.278 -3.052 1.00 0.00 N ATOM 0 H HIS A 131 -45.389 15.943 -3.595 1.00 0.00 H new ATOM 0 HA HIS A 131 -45.181 18.347 -1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -42.931 17.208 -2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -43.077 17.445 -3.900 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -42.941 20.202 -4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -41.357 21.566 -1.044 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -41.796 22.175 -3.475 1.00 0.00 H new ATOM 2037 N HIS A 132 -45.747 19.828 -3.866 1.00 0.00 N ATOM 2038 CA HIS A 132 -46.351 20.621 -4.932 1.00 0.00 C ATOM 2039 C HIS A 132 -45.478 21.822 -5.283 1.00 0.00 C ATOM 2040 O HIS A 132 -45.477 22.800 -4.506 1.00 0.00 O ATOM 2041 CB HIS A 132 -47.745 21.096 -4.517 1.00 0.00 C ATOM 2042 CG HIS A 132 -48.723 19.979 -4.330 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -49.751 19.724 -5.212 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -48.826 19.047 -3.354 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -50.443 18.683 -4.786 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -49.902 18.253 -3.662 1.00 0.00 N ATOM 2047 OXT HIS A 132 -44.805 21.775 -6.335 1.00 0.00 O ATOM 0 H HIS A 132 -45.518 20.358 -3.025 1.00 0.00 H new ATOM 0 HA HIS A 132 -46.437 19.987 -5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -47.667 21.660 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -48.127 21.781 -5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -48.181 18.947 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -51.306 18.256 -5.275 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -50.230 17.459 -3.112 1.00 0.00 H new TER 2056 HIS A 132