USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1126 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 12 ASN : amide:sc= -0.18! C(o=0.92!,f=-4.4!) USER MOD Set 1.2: A 34 SER OG : rot -74:sc= 1.22 USER MOD Set 1.3: A 63 HIS : no HD1:sc= -0.116 X(o=0.92,f=0.66) USER MOD Set 2.1: A 9 CYS SG : rot -32:sc= -0.435 USER MOD Set 2.2: A 16 SER OG : rot -52:sc= 1.27 USER MOD Set 2.3: A 82 MET CE :methyl 158:sc= -0.0258 (180deg=-0.223) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 4 ASN : amide:sc= -0.128 K(o=-0.13,f=-3.3!) USER MOD Single : A 14 CYS SG : rot -21:sc= 0.755 USER MOD Single : A 18 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 24 GLN : amide:sc= 0.627 K(o=0.63,f=-0.15) USER MOD Single : A 26 TYR OH : rot 30:sc= 0.378 USER MOD Single : A 27 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.1!) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 2.03 (180deg=1.81) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 51 SER OG : rot 65:sc= 1.25 USER MOD Single : A 56 HIS : no HD1:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.205 K(o=0.2,f=-0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 1:sc= 0.00744 USER MOD Single : A 67 GLN : amide:sc= 0.954 K(o=0.95,f=-0.13) USER MOD Single : A 69 SER OG : rot 180:sc= 0.408 USER MOD Single : A 73 CYS SG : rot 65:sc= 0.428 USER MOD Single : A 75 ASN : amide:sc= 1.5 K(o=1.5,f=-5.6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -24:sc= 0.432 USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 2.03 (180deg=1.33) USER MOD Single : A 86 HIS : no HE2:sc= -0.335 K(o=-0.33,f=-7.6!) USER MOD Single : A 91 CYS SG : rot 75:sc= 0.518 USER MOD Single : A 93 MET CE :methyl -172:sc=-0.00852 (180deg=-0.142) USER MOD Single : A 97 MET CE :methyl 171:sc=-0.00442 (180deg=-0.0833) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.23) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 109 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.66) USER MOD Single : A 111 CYS SG : rot 86:sc= 0.314 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 179:sc= 1.9 (180deg=1.9) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 80:sc= 0.93 USER MOD Single : A 128 TYR OH : rot 180:sc= 0.113 USER MOD Single : A 129 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 134 SER OG : rot 82:sc= 1.22 USER MOD Single : A 137 GLN : amide:sc= 0.847 K(o=0.85,f=-5.3!) USER MOD Single : A 140 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -4.914 8.377 -12.396 1.00 0.00 N ATOM 19 CA PHE A 2 -5.146 7.024 -11.893 1.00 0.00 C ATOM 20 C PHE A 2 -6.460 7.020 -11.101 1.00 0.00 C ATOM 21 O PHE A 2 -6.494 7.487 -9.961 1.00 0.00 O ATOM 22 CB PHE A 2 -3.957 6.560 -11.030 1.00 0.00 C ATOM 23 CG PHE A 2 -2.586 6.788 -11.647 1.00 0.00 C ATOM 24 CD1 PHE A 2 -2.225 6.150 -12.850 1.00 0.00 C ATOM 25 CD2 PHE A 2 -1.669 7.655 -11.022 1.00 0.00 C ATOM 26 CE1 PHE A 2 -0.959 6.375 -13.418 1.00 0.00 C ATOM 27 CE2 PHE A 2 -0.403 7.879 -11.588 1.00 0.00 C ATOM 28 CZ PHE A 2 -0.045 7.238 -12.787 1.00 0.00 C ATOM 0 HA PHE A 2 -5.230 6.321 -12.721 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.998 7.079 -10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.072 5.496 -10.821 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.923 5.486 -13.338 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.941 8.151 -10.102 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.688 5.884 -14.341 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.296 8.544 -11.102 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.929 7.408 -13.222 1.00 0.00 H new ATOM 38 N ASN A 3 -7.556 6.560 -11.714 1.00 0.00 N ATOM 39 CA ASN A 3 -8.878 6.591 -11.084 1.00 0.00 C ATOM 40 C ASN A 3 -8.922 5.707 -9.835 1.00 0.00 C ATOM 41 O ASN A 3 -9.436 6.131 -8.799 1.00 0.00 O ATOM 42 CB ASN A 3 -9.954 6.134 -12.080 1.00 0.00 C ATOM 43 CG ASN A 3 -11.319 6.040 -11.401 1.00 0.00 C ATOM 44 OD1 ASN A 3 -11.764 4.960 -11.023 1.00 0.00 O ATOM 45 ND2 ASN A 3 -12.003 7.158 -11.219 1.00 0.00 N ATOM 0 H ASN A 3 -7.552 6.159 -12.652 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.077 7.619 -10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.005 6.835 -12.913 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.682 5.164 -12.496 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.913 7.130 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.620 8.048 -11.539 1.00 0.00 H new ATOM 52 N ASN A 4 -8.374 4.492 -9.943 1.00 0.00 N ATOM 53 CA ASN A 4 -8.421 3.495 -8.881 1.00 0.00 C ATOM 54 C ASN A 4 -7.060 2.822 -8.734 1.00 0.00 C ATOM 55 O ASN A 4 -6.334 2.632 -9.712 1.00 0.00 O ATOM 56 CB ASN A 4 -9.561 2.481 -9.112 1.00 0.00 C ATOM 57 CG ASN A 4 -9.446 1.599 -10.351 1.00 0.00 C ATOM 58 OD1 ASN A 4 -8.700 1.867 -11.288 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.189 0.505 -10.369 1.00 0.00 N ATOM 0 H ASN A 4 -7.883 4.175 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.645 3.994 -7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.625 1.834 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.500 3.031 -9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.146 -0.128 -11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.805 0.294 -9.584 1.00 0.00 H new ATOM 66 N ILE A 5 -6.723 2.473 -7.490 1.00 0.00 N ATOM 67 CA ILE A 5 -5.383 2.029 -7.112 1.00 0.00 C ATOM 68 C ILE A 5 -5.530 0.805 -6.201 1.00 0.00 C ATOM 69 O ILE A 5 -6.517 0.696 -5.469 1.00 0.00 O ATOM 70 CB ILE A 5 -4.659 3.216 -6.412 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.573 4.436 -7.366 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.265 2.855 -5.854 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.824 5.643 -6.805 1.00 0.00 C ATOM 0 H ILE A 5 -7.381 2.492 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.783 1.735 -7.973 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.267 3.475 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.086 4.122 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.585 4.745 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.824 3.733 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.363 2.057 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.623 2.520 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.818 6.443 -7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.320 5.990 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.798 5.358 -6.570 1.00 0.00 H new ATOM 85 N LEU A 6 -4.538 -0.088 -6.207 1.00 0.00 N ATOM 86 CA LEU A 6 -4.519 -1.264 -5.336 1.00 0.00 C ATOM 87 C LEU A 6 -3.155 -1.357 -4.675 1.00 0.00 C ATOM 88 O LEU A 6 -2.142 -1.405 -5.374 1.00 0.00 O ATOM 89 CB LEU A 6 -4.801 -2.523 -6.167 1.00 0.00 C ATOM 90 CG LEU A 6 -4.819 -3.840 -5.368 1.00 0.00 C ATOM 91 CD1 LEU A 6 -6.009 -3.917 -4.410 1.00 0.00 C ATOM 92 CD2 LEU A 6 -4.876 -5.034 -6.329 1.00 0.00 C ATOM 0 H LEU A 6 -3.724 -0.015 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.287 -1.178 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.764 -2.404 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.046 -2.600 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.904 -3.870 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.980 -4.863 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.959 -3.091 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.938 -3.852 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.888 -5.962 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.779 -4.970 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.001 -5.020 -6.979 1.00 0.00 H new ATOM 104 N VAL A 7 -3.122 -1.398 -3.345 1.00 0.00 N ATOM 105 CA VAL A 7 -1.900 -1.688 -2.608 1.00 0.00 C ATOM 106 C VAL A 7 -1.818 -3.205 -2.447 1.00 0.00 C ATOM 107 O VAL A 7 -2.822 -3.835 -2.105 1.00 0.00 O ATOM 108 CB VAL A 7 -1.897 -0.978 -1.237 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.462 -0.948 -0.693 1.00 0.00 C ATOM 110 CG2 VAL A 7 -2.432 0.463 -1.291 1.00 0.00 C ATOM 0 H VAL A 7 -3.936 -1.232 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.030 -1.317 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.565 -1.545 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.450 -0.448 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.095 -1.968 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.179 -0.407 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.401 0.900 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.814 1.055 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.460 0.456 -1.652 1.00 0.00 H new ATOM 120 N VAL A 8 -0.638 -3.789 -2.662 1.00 0.00 N ATOM 121 CA VAL A 8 -0.440 -5.229 -2.583 1.00 0.00 C ATOM 122 C VAL A 8 0.833 -5.473 -1.771 1.00 0.00 C ATOM 123 O VAL A 8 1.912 -5.021 -2.165 1.00 0.00 O ATOM 124 CB VAL A 8 -0.363 -5.837 -4.003 1.00 0.00 C ATOM 125 CG1 VAL A 8 -0.427 -7.369 -3.917 1.00 0.00 C ATOM 126 CG2 VAL A 8 -1.511 -5.381 -4.916 1.00 0.00 C ATOM 0 H VAL A 8 0.208 -3.270 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.278 -5.719 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 8 0.579 -5.492 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.372 -7.792 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.410 -7.735 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.364 -7.668 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.400 -5.842 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.464 -5.681 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.485 -4.296 -5.020 1.00 0.00 H new ATOM 136 N CYS A 9 0.715 -6.180 -0.638 1.00 0.00 N ATOM 137 CA CYS A 9 1.834 -6.377 0.280 1.00 0.00 C ATOM 138 C CYS A 9 1.885 -7.795 0.837 1.00 0.00 C ATOM 139 O CYS A 9 0.855 -8.447 1.014 1.00 0.00 O ATOM 140 CB CYS A 9 1.707 -5.435 1.491 1.00 0.00 C ATOM 141 SG CYS A 9 1.274 -3.736 1.032 1.00 0.00 S ATOM 0 H CYS A 9 -0.152 -6.626 -0.339 1.00 0.00 H new ATOM 0 HA CYS A 9 2.735 -6.174 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.948 -5.826 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.650 -5.428 2.038 1.00 0.00 H new ATOM 0 HG CYS A 9 1.789 -3.455 -0.128 1.00 0.00 H new ATOM 147 N VAL A 10 3.095 -8.262 1.136 1.00 0.00 N ATOM 148 CA VAL A 10 3.264 -9.485 1.920 1.00 0.00 C ATOM 149 C VAL A 10 2.851 -9.062 3.340 1.00 0.00 C ATOM 150 O VAL A 10 3.250 -7.985 3.793 1.00 0.00 O ATOM 151 CB VAL A 10 4.709 -10.015 1.810 1.00 0.00 C ATOM 152 CG1 VAL A 10 4.984 -11.180 2.771 1.00 0.00 C ATOM 153 CG2 VAL A 10 4.983 -10.508 0.380 1.00 0.00 C ATOM 0 H VAL A 10 3.967 -7.817 0.850 1.00 0.00 H new ATOM 0 HA VAL A 10 2.660 -10.324 1.575 1.00 0.00 H new ATOM 0 HB VAL A 10 5.363 -9.184 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.015 -11.514 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.826 -10.850 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.307 -12.004 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.005 -10.880 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.288 -11.310 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.850 -9.684 -0.321 1.00 0.00 H new ATOM 163 N GLY A 11 2.011 -9.852 4.015 1.00 0.00 N ATOM 164 CA GLY A 11 1.398 -9.438 5.276 1.00 0.00 C ATOM 165 C GLY A 11 0.346 -8.347 5.070 1.00 0.00 C ATOM 166 O GLY A 11 0.295 -7.368 5.816 1.00 0.00 O ATOM 0 H GLY A 11 1.740 -10.786 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.936 -10.301 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.171 -9.073 5.952 1.00 0.00 H new ATOM 170 N ASN A 12 -0.487 -8.548 4.038 1.00 0.00 N ATOM 171 CA ASN A 12 -1.657 -7.719 3.720 1.00 0.00 C ATOM 172 C ASN A 12 -2.337 -7.083 4.930 1.00 0.00 C ATOM 173 O ASN A 12 -2.639 -5.898 4.865 1.00 0.00 O ATOM 174 CB ASN A 12 -2.675 -8.600 2.972 1.00 0.00 C ATOM 175 CG ASN A 12 -3.977 -7.953 2.484 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.729 -8.604 1.771 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.333 -6.732 2.836 1.00 0.00 N ATOM 0 H ASN A 12 -0.360 -9.318 3.381 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.299 -6.886 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.171 -9.027 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.941 -9.430 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.221 -6.347 2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.720 -6.173 3.430 1.00 0.00 H new ATOM 184 N ILE A 13 -2.592 -7.839 6.003 1.00 0.00 N ATOM 185 CA ILE A 13 -3.399 -7.417 7.153 1.00 0.00 C ATOM 186 C ILE A 13 -2.913 -6.132 7.852 1.00 0.00 C ATOM 187 O ILE A 13 -3.622 -5.626 8.719 1.00 0.00 O ATOM 188 CB ILE A 13 -3.530 -8.580 8.168 1.00 0.00 C ATOM 189 CG1 ILE A 13 -2.159 -9.010 8.741 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.282 -9.772 7.541 1.00 0.00 C ATOM 191 CD1 ILE A 13 -2.278 -10.002 9.904 1.00 0.00 C ATOM 0 H ILE A 13 -2.232 -8.789 6.098 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.377 -7.160 6.746 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.119 -8.215 9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.565 -9.461 7.946 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.620 -8.125 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.362 -10.577 8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.280 -9.455 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.736 -10.128 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.282 -10.265 10.262 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.846 -9.546 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.790 -10.902 9.564 1.00 0.00 H new ATOM 203 N CYS A 14 -1.737 -5.592 7.520 1.00 0.00 N ATOM 204 CA CYS A 14 -1.205 -4.398 8.171 1.00 0.00 C ATOM 205 C CYS A 14 -0.726 -3.360 7.157 1.00 0.00 C ATOM 206 O CYS A 14 -1.163 -2.210 7.213 1.00 0.00 O ATOM 207 CB CYS A 14 -0.114 -4.803 9.177 1.00 0.00 C ATOM 208 SG CYS A 14 1.189 -5.860 8.472 1.00 0.00 S ATOM 0 H CYS A 14 -1.130 -5.972 6.793 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.006 -3.909 8.725 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.344 -3.901 9.583 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.580 -5.327 10.012 1.00 0.00 H new ATOM 0 HG CYS A 14 0.744 -6.438 7.396 1.00 0.00 H new ATOM 214 N ARG A 15 0.136 -3.738 6.209 1.00 0.00 N ATOM 215 CA ARG A 15 0.794 -2.766 5.330 1.00 0.00 C ATOM 216 C ARG A 15 -0.213 -2.192 4.331 1.00 0.00 C ATOM 217 O ARG A 15 -0.362 -0.970 4.252 1.00 0.00 O ATOM 218 CB ARG A 15 1.989 -3.441 4.628 1.00 0.00 C ATOM 219 CG ARG A 15 3.108 -3.850 5.612 1.00 0.00 C ATOM 220 CD ARG A 15 3.955 -5.021 5.090 1.00 0.00 C ATOM 221 NE ARG A 15 5.239 -4.600 4.495 1.00 0.00 N ATOM 222 CZ ARG A 15 5.929 -5.287 3.577 1.00 0.00 C ATOM 223 NH1 ARG A 15 5.434 -6.383 3.018 1.00 0.00 N ATOM 224 NH2 ARG A 15 7.135 -4.886 3.209 1.00 0.00 N ATOM 0 H ARG A 15 0.395 -4.708 6.030 1.00 0.00 H new ATOM 0 HA ARG A 15 1.176 -1.930 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.639 -4.325 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.398 -2.760 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.755 -2.993 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.663 -4.126 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.153 -5.710 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.381 -5.570 4.344 1.00 0.00 H new ATOM 0 HE ARG A 15 5.632 -3.713 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.509 -6.719 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.978 -6.890 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.543 -4.049 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.656 -5.414 2.509 1.00 0.00 H new ATOM 238 N SER A 16 -0.943 -3.060 3.622 1.00 0.00 N ATOM 239 CA SER A 16 -1.868 -2.637 2.579 1.00 0.00 C ATOM 240 C SER A 16 -2.946 -1.660 3.080 1.00 0.00 C ATOM 241 O SER A 16 -3.072 -0.590 2.480 1.00 0.00 O ATOM 242 CB SER A 16 -2.485 -3.856 1.884 1.00 0.00 C ATOM 243 OG SER A 16 -1.530 -4.873 1.654 1.00 0.00 O ATOM 0 H SER A 16 -0.906 -4.070 3.758 1.00 0.00 H new ATOM 0 HA SER A 16 -1.286 -2.077 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.295 -4.251 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.924 -3.549 0.935 1.00 0.00 H new ATOM 0 HG SER A 16 -0.755 -4.495 1.189 1.00 0.00 H new ATOM 249 N PRO A 17 -3.711 -1.942 4.160 1.00 0.00 N ATOM 250 CA PRO A 17 -4.753 -1.027 4.601 1.00 0.00 C ATOM 251 C PRO A 17 -4.166 0.267 5.165 1.00 0.00 C ATOM 252 O PRO A 17 -4.816 1.301 5.051 1.00 0.00 O ATOM 253 CB PRO A 17 -5.586 -1.783 5.641 1.00 0.00 C ATOM 254 CG PRO A 17 -4.612 -2.817 6.197 1.00 0.00 C ATOM 255 CD PRO A 17 -3.752 -3.146 4.978 1.00 0.00 C ATOM 0 HA PRO A 17 -5.378 -0.717 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.953 -1.117 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.458 -2.256 5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.017 -2.415 7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.129 -3.697 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.748 -3.443 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.176 -3.980 4.419 1.00 0.00 H new ATOM 263 N THR A 18 -2.958 0.254 5.742 1.00 0.00 N ATOM 264 CA THR A 18 -2.350 1.475 6.257 1.00 0.00 C ATOM 265 C THR A 18 -2.071 2.438 5.096 1.00 0.00 C ATOM 266 O THR A 18 -2.505 3.588 5.155 1.00 0.00 O ATOM 267 CB THR A 18 -1.112 1.138 7.107 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.476 0.266 8.156 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.493 2.382 7.752 1.00 0.00 C ATOM 0 H THR A 18 -2.390 -0.585 5.861 1.00 0.00 H new ATOM 0 HA THR A 18 -3.036 1.991 6.929 1.00 0.00 H new ATOM 0 HB THR A 18 -0.387 0.682 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.612 -0.636 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.377 2.092 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.187 3.081 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.228 2.859 8.401 1.00 0.00 H new ATOM 277 N ALA A 19 -1.437 1.970 4.011 1.00 0.00 N ATOM 278 CA ALA A 19 -1.212 2.803 2.830 1.00 0.00 C ATOM 279 C ALA A 19 -2.538 3.284 2.244 1.00 0.00 C ATOM 280 O ALA A 19 -2.693 4.471 1.961 1.00 0.00 O ATOM 281 CB ALA A 19 -0.457 2.018 1.758 1.00 0.00 C ATOM 0 H ALA A 19 -1.073 1.020 3.931 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.620 3.664 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.298 2.653 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.507 1.697 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.040 1.144 1.469 1.00 0.00 H new ATOM 287 N GLU A 20 -3.492 2.364 2.074 1.00 0.00 N ATOM 288 CA GLU A 20 -4.781 2.667 1.468 1.00 0.00 C ATOM 289 C GLU A 20 -5.496 3.773 2.250 1.00 0.00 C ATOM 290 O GLU A 20 -5.926 4.769 1.671 1.00 0.00 O ATOM 291 CB GLU A 20 -5.613 1.378 1.439 1.00 0.00 C ATOM 292 CG GLU A 20 -6.975 1.548 0.758 1.00 0.00 C ATOM 293 CD GLU A 20 -8.054 0.753 1.492 1.00 0.00 C ATOM 294 OE1 GLU A 20 -8.160 -0.472 1.253 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.767 1.364 2.323 1.00 0.00 O ATOM 0 H GLU A 20 -3.387 1.389 2.355 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.642 3.032 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.050 0.602 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.767 1.031 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.246 2.603 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.913 1.214 -0.278 1.00 0.00 H new ATOM 302 N ARG A 21 -5.604 3.626 3.570 1.00 0.00 N ATOM 303 CA ARG A 21 -6.316 4.580 4.409 1.00 0.00 C ATOM 304 C ARG A 21 -5.566 5.901 4.503 1.00 0.00 C ATOM 305 O ARG A 21 -6.211 6.946 4.551 1.00 0.00 O ATOM 306 CB ARG A 21 -6.511 3.979 5.804 1.00 0.00 C ATOM 307 CG ARG A 21 -7.531 2.834 5.867 1.00 0.00 C ATOM 308 CD ARG A 21 -8.962 3.316 5.614 1.00 0.00 C ATOM 309 NE ARG A 21 -9.930 2.408 6.255 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.572 1.361 5.720 1.00 0.00 C ATOM 311 NH1 ARG A 21 -10.416 0.994 4.452 1.00 0.00 N ATOM 312 NH2 ARG A 21 -11.396 0.649 6.473 1.00 0.00 N ATOM 0 H ARG A 21 -5.200 2.843 4.084 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.287 4.784 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.550 3.613 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.828 4.769 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.269 2.076 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.478 2.357 6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.087 4.326 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.153 3.363 4.542 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.138 2.602 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.786 1.517 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.926 0.189 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.538 0.899 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.889 -0.150 6.074 1.00 0.00 H new ATOM 326 N LEU A 22 -4.231 5.895 4.506 1.00 0.00 N ATOM 327 CA LEU A 22 -3.464 7.136 4.464 1.00 0.00 C ATOM 328 C LEU A 22 -3.784 7.879 3.168 1.00 0.00 C ATOM 329 O LEU A 22 -4.015 9.085 3.191 1.00 0.00 O ATOM 330 CB LEU A 22 -1.959 6.850 4.564 1.00 0.00 C ATOM 331 CG LEU A 22 -1.474 6.555 5.995 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.113 5.859 5.934 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.348 7.850 6.805 1.00 0.00 C ATOM 0 H LEU A 22 -3.664 5.048 4.537 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.741 7.757 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.718 5.999 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.410 7.707 4.174 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.203 5.909 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.234 5.649 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.207 4.925 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.605 6.507 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.004 7.617 7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.631 8.513 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.319 8.342 6.858 1.00 0.00 H new ATOM 345 N LEU A 23 -3.863 7.165 2.043 1.00 0.00 N ATOM 346 CA LEU A 23 -4.252 7.757 0.770 1.00 0.00 C ATOM 347 C LEU A 23 -5.703 8.249 0.817 1.00 0.00 C ATOM 348 O LEU A 23 -5.973 9.304 0.249 1.00 0.00 O ATOM 349 CB LEU A 23 -4.025 6.762 -0.379 1.00 0.00 C ATOM 350 CG LEU A 23 -2.532 6.518 -0.688 1.00 0.00 C ATOM 351 CD1 LEU A 23 -2.351 5.175 -1.407 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.939 7.656 -1.532 1.00 0.00 C ATOM 0 H LEU A 23 -3.660 6.167 1.993 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.621 8.626 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.497 5.812 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.519 7.135 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.995 6.491 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.294 5.015 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.719 4.370 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.911 5.184 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.887 7.451 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.479 7.728 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.029 8.597 -0.989 1.00 0.00 H new ATOM 364 N GLN A 24 -6.624 7.573 1.524 1.00 0.00 N ATOM 365 CA GLN A 24 -7.970 8.112 1.753 1.00 0.00 C ATOM 366 C GLN A 24 -7.904 9.428 2.534 1.00 0.00 C ATOM 367 O GLN A 24 -8.639 10.359 2.212 1.00 0.00 O ATOM 368 CB GLN A 24 -8.901 7.131 2.501 1.00 0.00 C ATOM 369 CG GLN A 24 -9.248 5.827 1.768 1.00 0.00 C ATOM 370 CD GLN A 24 -9.817 6.096 0.378 1.00 0.00 C ATOM 371 OE1 GLN A 24 -10.993 6.406 0.211 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.973 6.021 -0.635 1.00 0.00 N ATOM 0 H GLN A 24 -6.460 6.658 1.944 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.393 8.281 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.434 6.875 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.831 7.651 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.354 5.209 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.972 5.261 2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.000 5.761 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.294 6.223 -1.582 1.00 0.00 H new ATOM 381 N ARG A 25 -7.038 9.535 3.549 1.00 0.00 N ATOM 382 CA ARG A 25 -6.907 10.754 4.341 1.00 0.00 C ATOM 383 C ARG A 25 -6.454 11.912 3.451 1.00 0.00 C ATOM 384 O ARG A 25 -7.063 12.981 3.486 1.00 0.00 O ATOM 385 CB ARG A 25 -5.950 10.512 5.524 1.00 0.00 C ATOM 386 CG ARG A 25 -5.986 11.661 6.544 1.00 0.00 C ATOM 387 CD ARG A 25 -5.089 11.371 7.755 1.00 0.00 C ATOM 388 NE ARG A 25 -3.652 11.445 7.428 1.00 0.00 N ATOM 389 CZ ARG A 25 -2.660 10.941 8.177 1.00 0.00 C ATOM 390 NH1 ARG A 25 -2.920 10.256 9.288 1.00 0.00 N ATOM 391 NH2 ARG A 25 -1.398 11.122 7.817 1.00 0.00 N ATOM 0 H ARG A 25 -6.414 8.782 3.839 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.876 11.029 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.217 9.579 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.934 10.393 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.662 12.585 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.011 11.818 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.314 12.084 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.319 10.379 8.143 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.392 11.918 6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.886 10.107 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.154 9.879 9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.180 11.645 6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.645 10.738 8.388 1.00 0.00 H new ATOM 405 N TYR A 26 -5.404 11.701 2.652 1.00 0.00 N ATOM 406 CA TYR A 26 -4.858 12.759 1.805 1.00 0.00 C ATOM 407 C TYR A 26 -5.739 13.058 0.583 1.00 0.00 C ATOM 408 O TYR A 26 -5.765 14.204 0.133 1.00 0.00 O ATOM 409 CB TYR A 26 -3.422 12.426 1.384 1.00 0.00 C ATOM 410 CG TYR A 26 -2.416 12.487 2.522 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.133 13.723 3.136 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.776 11.320 2.982 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.250 13.790 4.227 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.898 11.376 4.079 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.640 12.612 4.712 1.00 0.00 C ATOM 416 OH TYR A 26 0.163 12.648 5.812 1.00 0.00 O ATOM 0 H TYR A 26 -4.918 10.808 2.576 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.845 13.670 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.404 11.427 0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.113 13.119 0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.598 14.625 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.961 10.377 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.038 14.741 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.422 10.475 4.437 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.132 13.367 6.409 1.00 0.00 H new ATOM 426 N HIS A 27 -6.478 12.074 0.063 1.00 0.00 N ATOM 427 CA HIS A 27 -7.350 12.206 -1.102 1.00 0.00 C ATOM 428 C HIS A 27 -8.637 11.391 -0.882 1.00 0.00 C ATOM 429 O HIS A 27 -8.727 10.251 -1.349 1.00 0.00 O ATOM 430 CB HIS A 27 -6.630 11.741 -2.380 1.00 0.00 C ATOM 431 CG HIS A 27 -5.652 12.714 -2.981 1.00 0.00 C ATOM 432 ND1 HIS A 27 -5.985 13.782 -3.784 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.286 12.616 -2.987 1.00 0.00 C ATOM 434 CE1 HIS A 27 -4.851 14.317 -4.257 1.00 0.00 C ATOM 435 NE2 HIS A 27 -3.782 13.646 -3.791 1.00 0.00 N ATOM 0 H HIS A 27 -6.484 11.133 0.456 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.610 13.257 -1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.100 10.815 -2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.383 11.504 -3.131 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.930 14.109 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.700 11.875 -2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.802 15.168 -4.920 1.00 0.00 H new ATOM 443 N PRO A 28 -9.649 11.930 -0.178 1.00 0.00 N ATOM 444 CA PRO A 28 -10.945 11.271 -0.013 1.00 0.00 C ATOM 445 C PRO A 28 -11.622 10.887 -1.340 1.00 0.00 C ATOM 446 O PRO A 28 -12.449 9.974 -1.367 1.00 0.00 O ATOM 447 CB PRO A 28 -11.811 12.262 0.772 1.00 0.00 C ATOM 448 CG PRO A 28 -10.796 13.125 1.520 1.00 0.00 C ATOM 449 CD PRO A 28 -9.618 13.188 0.551 1.00 0.00 C ATOM 0 HA PRO A 28 -10.811 10.322 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.433 12.862 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.482 11.748 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.192 14.117 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.511 12.679 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.712 14.037 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.676 13.309 1.086 1.00 0.00 H new ATOM 457 N GLU A 29 -11.295 11.587 -2.431 1.00 0.00 N ATOM 458 CA GLU A 29 -11.881 11.367 -3.745 1.00 0.00 C ATOM 459 C GLU A 29 -11.195 10.226 -4.514 1.00 0.00 C ATOM 460 O GLU A 29 -11.748 9.731 -5.498 1.00 0.00 O ATOM 461 CB GLU A 29 -11.852 12.688 -4.550 1.00 0.00 C ATOM 462 CG GLU A 29 -10.509 13.124 -5.182 1.00 0.00 C ATOM 463 CD GLU A 29 -9.463 13.758 -4.239 1.00 0.00 C ATOM 464 OE1 GLU A 29 -9.519 13.581 -3.004 1.00 0.00 O ATOM 465 OE2 GLU A 29 -8.538 14.428 -4.752 1.00 0.00 O ATOM 0 H GLU A 29 -10.602 12.335 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.916 11.054 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.587 12.607 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.186 13.489 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.056 12.251 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.725 13.838 -5.977 1.00 0.00 H new ATOM 472 N LEU A 30 -9.987 9.823 -4.103 1.00 0.00 N ATOM 473 CA LEU A 30 -9.180 8.831 -4.807 1.00 0.00 C ATOM 474 C LEU A 30 -9.627 7.444 -4.361 1.00 0.00 C ATOM 475 O LEU A 30 -9.751 7.202 -3.155 1.00 0.00 O ATOM 476 CB LEU A 30 -7.704 9.083 -4.466 1.00 0.00 C ATOM 477 CG LEU A 30 -6.686 8.140 -5.127 1.00 0.00 C ATOM 478 CD1 LEU A 30 -6.766 8.213 -6.655 1.00 0.00 C ATOM 479 CD2 LEU A 30 -5.290 8.562 -4.650 1.00 0.00 C ATOM 0 H LEU A 30 -9.540 10.184 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.305 8.903 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.457 10.106 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.585 9.013 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.901 7.109 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.033 7.534 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.766 7.926 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.556 9.231 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.540 7.912 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.101 9.594 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.236 8.480 -3.564 1.00 0.00 H new ATOM 491 N LYS A 31 -9.850 6.518 -5.300 1.00 0.00 N ATOM 492 CA LYS A 31 -10.215 5.163 -4.908 1.00 0.00 C ATOM 493 C LYS A 31 -8.921 4.400 -4.682 1.00 0.00 C ATOM 494 O LYS A 31 -8.086 4.333 -5.585 1.00 0.00 O ATOM 495 CB LYS A 31 -11.094 4.487 -5.978 1.00 0.00 C ATOM 496 CG LYS A 31 -11.409 3.004 -5.680 1.00 0.00 C ATOM 497 CD LYS A 31 -12.082 2.765 -4.314 1.00 0.00 C ATOM 498 CE LYS A 31 -12.065 1.277 -3.936 1.00 0.00 C ATOM 499 NZ LYS A 31 -12.114 1.089 -2.466 1.00 0.00 N ATOM 0 H LYS A 31 -9.786 6.679 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.811 5.175 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.031 5.037 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.592 4.555 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.058 2.617 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.482 2.432 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.567 3.343 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.111 3.123 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.915 0.774 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.164 0.810 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.169 0.074 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.256 1.489 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.951 1.572 -2.082 1.00 0.00 H new ATOM 513 N VAL A 32 -8.787 3.772 -3.518 1.00 0.00 N ATOM 514 CA VAL A 32 -7.708 2.839 -3.249 1.00 0.00 C ATOM 515 C VAL A 32 -8.342 1.616 -2.580 1.00 0.00 C ATOM 516 O VAL A 32 -9.362 1.740 -1.892 1.00 0.00 O ATOM 517 CB VAL A 32 -6.598 3.509 -2.403 1.00 0.00 C ATOM 518 CG1 VAL A 32 -5.312 2.668 -2.419 1.00 0.00 C ATOM 519 CG2 VAL A 32 -6.232 4.923 -2.894 1.00 0.00 C ATOM 0 H VAL A 32 -9.428 3.899 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.204 2.522 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.009 3.581 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.548 3.160 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.518 1.680 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.957 2.566 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.449 5.337 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.875 4.870 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.113 5.563 -2.848 1.00 0.00 H new ATOM 529 N GLU A 33 -7.756 0.444 -2.802 1.00 0.00 N ATOM 530 CA GLU A 33 -8.142 -0.803 -2.150 1.00 0.00 C ATOM 531 C GLU A 33 -6.852 -1.537 -1.737 1.00 0.00 C ATOM 532 O GLU A 33 -5.747 -1.096 -2.083 1.00 0.00 O ATOM 533 CB GLU A 33 -9.017 -1.603 -3.133 1.00 0.00 C ATOM 534 CG GLU A 33 -9.786 -2.791 -2.529 1.00 0.00 C ATOM 535 CD GLU A 33 -10.798 -2.420 -1.432 1.00 0.00 C ATOM 536 OE1 GLU A 33 -11.471 -1.373 -1.537 1.00 0.00 O ATOM 537 OE2 GLU A 33 -10.979 -3.243 -0.507 1.00 0.00 O ATOM 0 H GLU A 33 -6.981 0.332 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.732 -0.647 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.736 -0.922 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.381 -1.976 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.315 -3.307 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.067 -3.497 -2.115 1.00 0.00 H new ATOM 544 N SER A 34 -6.970 -2.654 -1.018 1.00 0.00 N ATOM 545 CA SER A 34 -5.830 -3.330 -0.413 1.00 0.00 C ATOM 546 C SER A 34 -5.944 -4.858 -0.569 1.00 0.00 C ATOM 547 O SER A 34 -7.025 -5.428 -0.398 1.00 0.00 O ATOM 548 CB SER A 34 -5.749 -2.874 1.055 1.00 0.00 C ATOM 549 OG SER A 34 -7.015 -2.764 1.682 1.00 0.00 O ATOM 0 H SER A 34 -7.863 -3.114 -0.840 1.00 0.00 H new ATOM 0 HA SER A 34 -4.902 -3.062 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.136 -3.581 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.245 -1.909 1.100 1.00 0.00 H new ATOM 0 HG SER A 34 -7.476 -1.965 1.351 1.00 0.00 H new ATOM 555 N ALA A 35 -4.822 -5.516 -0.892 1.00 0.00 N ATOM 556 CA ALA A 35 -4.719 -6.969 -1.064 1.00 0.00 C ATOM 557 C ALA A 35 -3.274 -7.389 -0.730 1.00 0.00 C ATOM 558 O ALA A 35 -2.498 -6.570 -0.221 1.00 0.00 O ATOM 559 CB ALA A 35 -5.088 -7.337 -2.512 1.00 0.00 C ATOM 0 H ALA A 35 -3.935 -5.036 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.406 -7.493 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.013 -8.416 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.109 -7.017 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.404 -6.839 -3.199 1.00 0.00 H new ATOM 565 N GLY A 36 -2.861 -8.627 -1.028 1.00 0.00 N ATOM 566 CA GLY A 36 -1.470 -9.027 -0.829 1.00 0.00 C ATOM 567 C GLY A 36 -1.005 -10.262 -1.580 1.00 0.00 C ATOM 568 O GLY A 36 -1.807 -11.072 -2.039 1.00 0.00 O ATOM 0 H GLY A 36 -3.465 -9.358 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.831 -8.192 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.313 -9.196 0.236 1.00 0.00 H new ATOM 572 N LEU A 37 0.322 -10.393 -1.686 1.00 0.00 N ATOM 573 CA LEU A 37 0.974 -11.539 -2.329 1.00 0.00 C ATOM 574 C LEU A 37 0.837 -12.792 -1.467 1.00 0.00 C ATOM 575 O LEU A 37 0.524 -13.865 -1.983 1.00 0.00 O ATOM 576 CB LEU A 37 2.469 -11.220 -2.544 1.00 0.00 C ATOM 577 CG LEU A 37 2.742 -10.433 -3.838 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.093 -9.713 -3.747 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.740 -11.369 -5.054 1.00 0.00 C ATOM 0 H LEU A 37 0.979 -9.701 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 37 0.491 -11.725 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.837 -10.647 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.033 -12.153 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 37 1.948 -9.696 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.274 -9.160 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.080 -9.021 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.887 -10.446 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.935 -10.792 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.515 -12.125 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.768 -11.856 -5.137 1.00 0.00 H new ATOM 591 N GLY A 38 1.031 -12.637 -0.155 1.00 0.00 N ATOM 592 CA GLY A 38 0.952 -13.722 0.821 1.00 0.00 C ATOM 593 C GLY A 38 -0.070 -13.337 1.882 1.00 0.00 C ATOM 594 O GLY A 38 0.226 -13.347 3.077 1.00 0.00 O ATOM 0 H GLY A 38 1.252 -11.734 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.660 -14.652 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.927 -13.894 1.277 1.00 0.00 H new ATOM 598 N ALA A 39 -1.235 -12.874 1.417 1.00 0.00 N ATOM 599 CA ALA A 39 -2.312 -12.424 2.283 1.00 0.00 C ATOM 600 C ALA A 39 -2.998 -13.600 2.988 1.00 0.00 C ATOM 601 O ALA A 39 -2.726 -14.770 2.706 1.00 0.00 O ATOM 602 CB ALA A 39 -3.327 -11.659 1.436 1.00 0.00 C ATOM 0 H ALA A 39 -1.451 -12.803 0.423 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.896 -11.779 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.143 -11.313 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.840 -10.801 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.723 -12.316 0.661 1.00 0.00 H new ATOM 608 N LEU A 40 -3.942 -13.262 3.870 1.00 0.00 N ATOM 609 CA LEU A 40 -4.668 -14.218 4.697 1.00 0.00 C ATOM 610 C LEU A 40 -6.144 -13.910 4.469 1.00 0.00 C ATOM 611 O LEU A 40 -6.736 -13.095 5.178 1.00 0.00 O ATOM 612 CB LEU A 40 -4.242 -14.069 6.171 1.00 0.00 C ATOM 613 CG LEU A 40 -2.767 -14.435 6.448 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.402 -14.095 7.897 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.471 -15.919 6.196 1.00 0.00 C ATOM 0 H LEU A 40 -4.226 -12.295 4.029 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.458 -15.255 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.413 -13.039 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.882 -14.700 6.787 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.164 -13.849 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.360 -14.357 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.543 -13.028 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.043 -14.658 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.421 -16.121 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.096 -16.530 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.686 -16.161 5.155 1.00 0.00 H new ATOM 627 N VAL A 41 -6.683 -14.480 3.389 1.00 0.00 N ATOM 628 CA VAL A 41 -8.019 -14.176 2.884 1.00 0.00 C ATOM 629 C VAL A 41 -9.054 -14.171 4.021 1.00 0.00 C ATOM 630 O VAL A 41 -9.186 -15.151 4.758 1.00 0.00 O ATOM 631 CB VAL A 41 -8.402 -15.162 1.754 1.00 0.00 C ATOM 632 CG1 VAL A 41 -9.660 -14.685 1.012 1.00 0.00 C ATOM 633 CG2 VAL A 41 -7.273 -15.351 0.723 1.00 0.00 C ATOM 0 H VAL A 41 -6.192 -15.179 2.832 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.012 -13.172 2.460 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.589 -16.118 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.908 -15.395 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.492 -14.616 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.474 -13.705 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.596 -16.052 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.036 -14.392 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.387 -15.743 1.222 1.00 0.00 H new ATOM 643 N GLY A 42 -9.784 -13.061 4.144 1.00 0.00 N ATOM 644 CA GLY A 42 -10.906 -12.938 5.064 1.00 0.00 C ATOM 645 C GLY A 42 -10.520 -12.394 6.441 1.00 0.00 C ATOM 646 O GLY A 42 -11.418 -12.000 7.191 1.00 0.00 O ATOM 0 H GLY A 42 -9.608 -12.216 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.656 -12.282 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.371 -13.916 5.188 1.00 0.00 H new ATOM 650 N LYS A 43 -9.228 -12.344 6.801 1.00 0.00 N ATOM 651 CA LYS A 43 -8.818 -11.723 8.063 1.00 0.00 C ATOM 652 C LYS A 43 -9.033 -10.212 7.990 1.00 0.00 C ATOM 653 O LYS A 43 -8.930 -9.619 6.914 1.00 0.00 O ATOM 654 CB LYS A 43 -7.360 -12.052 8.418 1.00 0.00 C ATOM 655 CG LYS A 43 -7.193 -13.535 8.791 1.00 0.00 C ATOM 656 CD LYS A 43 -5.932 -13.762 9.635 1.00 0.00 C ATOM 657 CE LYS A 43 -5.813 -15.247 10.010 1.00 0.00 C ATOM 658 NZ LYS A 43 -4.781 -15.493 11.051 1.00 0.00 N ATOM 0 H LYS A 43 -8.462 -12.721 6.243 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.438 -12.135 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.715 -11.813 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.037 -11.427 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.069 -13.873 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.138 -14.136 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.050 -13.447 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.974 -13.152 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.778 -15.606 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.569 -15.825 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.741 -16.510 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.854 -15.177 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.025 -14.965 11.913 1.00 0.00 H new ATOM 672 N GLY A 44 -9.313 -9.597 9.140 1.00 0.00 N ATOM 673 CA GLY A 44 -9.411 -8.151 9.255 1.00 0.00 C ATOM 674 C GLY A 44 -8.026 -7.510 9.318 1.00 0.00 C ATOM 675 O GLY A 44 -7.003 -8.186 9.173 1.00 0.00 O ATOM 0 H GLY A 44 -9.478 -10.093 10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.962 -7.752 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.976 -7.892 10.150 1.00 0.00 H new ATOM 679 N ALA A 45 -7.997 -6.194 9.544 1.00 0.00 N ATOM 680 CA ALA A 45 -6.748 -5.496 9.822 1.00 0.00 C ATOM 681 C ALA A 45 -6.148 -6.009 11.145 1.00 0.00 C ATOM 682 O ALA A 45 -6.877 -6.419 12.052 1.00 0.00 O ATOM 683 CB ALA A 45 -6.991 -3.983 9.846 1.00 0.00 C ATOM 0 H ALA A 45 -8.823 -5.596 9.539 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.025 -5.699 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.054 -3.467 10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.375 -3.661 8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.717 -3.743 10.623 1.00 0.00 H new ATOM 689 N ASP A 46 -4.819 -5.992 11.246 1.00 0.00 N ATOM 690 CA ASP A 46 -4.099 -6.507 12.412 1.00 0.00 C ATOM 691 C ASP A 46 -4.307 -5.585 13.625 1.00 0.00 C ATOM 692 O ASP A 46 -4.158 -4.371 13.468 1.00 0.00 O ATOM 693 CB ASP A 46 -2.602 -6.617 12.100 1.00 0.00 C ATOM 694 CG ASP A 46 -1.854 -7.225 13.292 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.418 -6.456 14.175 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.722 -8.468 13.353 1.00 0.00 O ATOM 0 H ASP A 46 -4.209 -5.619 10.519 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.492 -7.496 12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.452 -7.235 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.197 -5.631 11.873 1.00 0.00 H new ATOM 701 N PRO A 47 -4.616 -6.100 14.832 1.00 0.00 N ATOM 702 CA PRO A 47 -4.805 -5.286 16.033 1.00 0.00 C ATOM 703 C PRO A 47 -3.670 -4.302 16.339 1.00 0.00 C ATOM 704 O PRO A 47 -3.930 -3.213 16.854 1.00 0.00 O ATOM 705 CB PRO A 47 -4.979 -6.284 17.182 1.00 0.00 C ATOM 706 CG PRO A 47 -5.584 -7.504 16.496 1.00 0.00 C ATOM 707 CD PRO A 47 -4.911 -7.496 15.124 1.00 0.00 C ATOM 0 HA PRO A 47 -5.670 -4.639 15.886 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.027 -6.520 17.658 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.635 -5.893 17.959 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.372 -8.422 17.044 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.668 -7.425 16.414 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.000 -8.094 15.132 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.566 -7.924 14.365 1.00 0.00 H new ATOM 715 N THR A 48 -2.420 -4.646 16.035 1.00 0.00 N ATOM 716 CA THR A 48 -1.277 -3.788 16.327 1.00 0.00 C ATOM 717 C THR A 48 -1.278 -2.623 15.337 1.00 0.00 C ATOM 718 O THR A 48 -1.100 -1.470 15.737 1.00 0.00 O ATOM 719 CB THR A 48 0.042 -4.588 16.230 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.154 -5.978 16.416 1.00 0.00 O ATOM 721 CG2 THR A 48 1.071 -4.083 17.249 1.00 0.00 C ATOM 0 H THR A 48 -2.173 -5.525 15.581 1.00 0.00 H new ATOM 0 HA THR A 48 -1.354 -3.404 17.344 1.00 0.00 H new ATOM 0 HB THR A 48 0.419 -4.429 15.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.269 -6.412 15.545 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.989 -4.664 17.158 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.287 -3.032 17.058 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.670 -4.194 18.256 1.00 0.00 H new ATOM 729 N ALA A 49 -1.553 -2.912 14.060 1.00 0.00 N ATOM 730 CA ALA A 49 -1.675 -1.893 13.036 1.00 0.00 C ATOM 731 C ALA A 49 -2.850 -0.964 13.354 1.00 0.00 C ATOM 732 O ALA A 49 -2.697 0.252 13.265 1.00 0.00 O ATOM 733 CB ALA A 49 -1.835 -2.580 11.676 1.00 0.00 C ATOM 0 H ALA A 49 -1.696 -3.862 13.717 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.779 -1.273 13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.928 -1.825 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.962 -3.202 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.729 -3.203 11.686 1.00 0.00 H new ATOM 739 N ILE A 50 -3.992 -1.516 13.783 1.00 0.00 N ATOM 740 CA ILE A 50 -5.149 -0.737 14.224 1.00 0.00 C ATOM 741 C ILE A 50 -4.729 0.167 15.387 1.00 0.00 C ATOM 742 O ILE A 50 -5.047 1.352 15.369 1.00 0.00 O ATOM 743 CB ILE A 50 -6.323 -1.673 14.610 1.00 0.00 C ATOM 744 CG1 ILE A 50 -6.900 -2.400 13.372 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.461 -0.904 15.316 1.00 0.00 C ATOM 746 CD1 ILE A 50 -7.758 -3.624 13.723 1.00 0.00 C ATOM 0 H ILE A 50 -4.137 -2.524 13.833 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.504 -0.107 13.409 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.912 -2.410 15.300 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.502 -1.697 12.796 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.078 -2.715 12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.264 -1.595 15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.078 -0.442 16.226 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.845 -0.131 14.651 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.129 -4.083 12.807 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.154 -4.346 14.272 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.601 -3.313 14.340 1.00 0.00 H new ATOM 758 N SER A 51 -4.012 -0.357 16.383 1.00 0.00 N ATOM 759 CA SER A 51 -3.637 0.413 17.566 1.00 0.00 C ATOM 760 C SER A 51 -2.716 1.582 17.193 1.00 0.00 C ATOM 761 O SER A 51 -2.916 2.700 17.667 1.00 0.00 O ATOM 762 CB SER A 51 -2.987 -0.513 18.601 1.00 0.00 C ATOM 763 OG SER A 51 -3.865 -1.561 18.973 1.00 0.00 O ATOM 0 H SER A 51 -3.678 -1.321 16.391 1.00 0.00 H new ATOM 0 HA SER A 51 -4.535 0.845 18.008 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.068 -0.933 18.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.709 0.062 19.484 1.00 0.00 H new ATOM 0 HG SER A 51 -4.037 -2.135 18.197 1.00 0.00 H new ATOM 769 N VAL A 52 -1.726 1.349 16.326 1.00 0.00 N ATOM 770 CA VAL A 52 -0.854 2.415 15.836 1.00 0.00 C ATOM 771 C VAL A 52 -1.669 3.417 15.009 1.00 0.00 C ATOM 772 O VAL A 52 -1.491 4.621 15.172 1.00 0.00 O ATOM 773 CB VAL A 52 0.330 1.796 15.066 1.00 0.00 C ATOM 774 CG1 VAL A 52 1.162 2.829 14.293 1.00 0.00 C ATOM 775 CG2 VAL A 52 1.265 1.084 16.060 1.00 0.00 C ATOM 0 H VAL A 52 -1.510 0.426 15.949 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.429 2.979 16.666 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.101 1.105 14.341 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.978 2.325 13.775 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.528 3.336 13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.572 3.561 14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.104 0.645 15.520 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.639 1.804 16.787 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.715 0.298 16.578 1.00 0.00 H new ATOM 785 N ALA A 53 -2.593 2.958 14.161 1.00 0.00 N ATOM 786 CA ALA A 53 -3.402 3.851 13.346 1.00 0.00 C ATOM 787 C ALA A 53 -4.321 4.717 14.217 1.00 0.00 C ATOM 788 O ALA A 53 -4.480 5.910 13.949 1.00 0.00 O ATOM 789 CB ALA A 53 -4.199 3.019 12.344 1.00 0.00 C ATOM 0 H ALA A 53 -2.796 1.968 14.025 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.751 4.536 12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.809 3.679 11.727 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.513 2.460 11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.845 2.324 12.880 1.00 0.00 H new ATOM 795 N ALA A 54 -4.884 4.146 15.287 1.00 0.00 N ATOM 796 CA ALA A 54 -5.749 4.863 16.211 1.00 0.00 C ATOM 797 C ALA A 54 -4.977 5.937 16.982 1.00 0.00 C ATOM 798 O ALA A 54 -5.559 6.971 17.310 1.00 0.00 O ATOM 799 CB ALA A 54 -6.403 3.872 17.179 1.00 0.00 C ATOM 0 H ALA A 54 -4.747 3.165 15.532 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.524 5.368 15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.050 4.412 17.870 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.995 3.150 16.616 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.630 3.348 17.741 1.00 0.00 H new ATOM 805 N GLU A 55 -3.673 5.748 17.214 1.00 0.00 N ATOM 806 CA GLU A 55 -2.806 6.785 17.785 1.00 0.00 C ATOM 807 C GLU A 55 -2.788 8.055 16.909 1.00 0.00 C ATOM 808 O GLU A 55 -2.548 9.152 17.416 1.00 0.00 O ATOM 809 CB GLU A 55 -1.389 6.218 17.983 1.00 0.00 C ATOM 810 CG GLU A 55 -0.560 7.013 19.003 1.00 0.00 C ATOM 811 CD GLU A 55 0.866 6.453 19.152 1.00 0.00 C ATOM 812 OE1 GLU A 55 1.018 5.238 19.416 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.843 7.228 19.038 1.00 0.00 O ATOM 0 H GLU A 55 -3.190 4.873 17.011 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.206 7.080 18.755 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.461 5.181 18.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.869 6.213 17.025 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.509 8.057 18.693 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.060 6.992 19.971 1.00 0.00 H new ATOM 820 N HIS A 56 -3.127 7.924 15.622 1.00 0.00 N ATOM 821 CA HIS A 56 -3.226 9.007 14.645 1.00 0.00 C ATOM 822 C HIS A 56 -4.677 9.181 14.147 1.00 0.00 C ATOM 823 O HIS A 56 -4.909 9.869 13.152 1.00 0.00 O ATOM 824 CB HIS A 56 -2.241 8.726 13.502 1.00 0.00 C ATOM 825 CG HIS A 56 -0.813 8.563 13.969 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.010 9.556 14.454 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.106 7.391 14.031 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.182 8.995 14.798 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.163 7.670 14.559 1.00 0.00 N ATOM 0 H HIS A 56 -3.350 7.015 15.217 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.957 9.955 15.111 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.550 7.821 12.979 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.289 9.542 12.781 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.464 6.419 13.726 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.023 9.533 15.209 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.918 7.005 14.728 1.00 0.00 H new ATOM 837 N GLN A 57 -5.643 8.580 14.860 1.00 0.00 N ATOM 838 CA GLN A 57 -7.077 8.654 14.568 1.00 0.00 C ATOM 839 C GLN A 57 -7.392 8.368 13.094 1.00 0.00 C ATOM 840 O GLN A 57 -8.162 9.081 12.443 1.00 0.00 O ATOM 841 CB GLN A 57 -7.694 9.961 15.115 1.00 0.00 C ATOM 842 CG GLN A 57 -7.545 10.154 16.637 1.00 0.00 C ATOM 843 CD GLN A 57 -6.147 10.621 17.060 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.730 11.740 16.775 1.00 0.00 O ATOM 845 NE2 GLN A 57 -5.386 9.777 17.738 1.00 0.00 N ATOM 0 H GLN A 57 -5.437 8.012 15.682 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.573 7.847 15.108 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.229 10.807 14.608 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.754 9.981 14.862 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.281 10.883 16.977 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.773 9.213 17.139 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.737 8.849 17.972 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.448 10.055 18.027 1.00 0.00 H new ATOM 854 N LEU A 58 -6.796 7.288 12.592 1.00 0.00 N ATOM 855 CA LEU A 58 -7.114 6.710 11.292 1.00 0.00 C ATOM 856 C LEU A 58 -7.564 5.284 11.605 1.00 0.00 C ATOM 857 O LEU A 58 -7.004 4.644 12.499 1.00 0.00 O ATOM 858 CB LEU A 58 -5.873 6.852 10.391 1.00 0.00 C ATOM 859 CG LEU A 58 -5.881 6.096 9.052 1.00 0.00 C ATOM 860 CD1 LEU A 58 -4.960 6.820 8.061 1.00 0.00 C ATOM 861 CD2 LEU A 58 -5.359 4.665 9.213 1.00 0.00 C ATOM 0 H LEU A 58 -6.064 6.781 13.090 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.912 7.197 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.730 7.912 10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.004 6.521 10.960 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.910 6.064 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.961 6.289 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.318 7.838 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.946 6.848 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.378 4.160 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.336 4.691 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.991 4.124 9.918 1.00 0.00 H new ATOM 873 N SER A 59 -8.578 4.788 10.897 1.00 0.00 N ATOM 874 CA SER A 59 -9.244 3.542 11.256 1.00 0.00 C ATOM 875 C SER A 59 -9.037 2.502 10.154 1.00 0.00 C ATOM 876 O SER A 59 -9.662 2.581 9.093 1.00 0.00 O ATOM 877 CB SER A 59 -10.734 3.818 11.515 1.00 0.00 C ATOM 878 OG SER A 59 -10.895 4.842 12.488 1.00 0.00 O ATOM 0 H SER A 59 -8.957 5.237 10.064 1.00 0.00 H new ATOM 0 HA SER A 59 -8.812 3.136 12.171 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.221 4.113 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.224 2.906 11.856 1.00 0.00 H new ATOM 0 HG SER A 59 -11.850 5.004 12.637 1.00 0.00 H new ATOM 884 N LEU A 60 -8.143 1.533 10.391 1.00 0.00 N ATOM 885 CA LEU A 60 -7.950 0.408 9.469 1.00 0.00 C ATOM 886 C LEU A 60 -9.156 -0.533 9.487 1.00 0.00 C ATOM 887 O LEU A 60 -9.389 -1.231 8.502 1.00 0.00 O ATOM 888 CB LEU A 60 -6.695 -0.417 9.805 1.00 0.00 C ATOM 889 CG LEU A 60 -5.381 0.362 9.941 1.00 0.00 C ATOM 890 CD1 LEU A 60 -4.237 -0.622 10.175 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.064 1.216 8.715 1.00 0.00 C ATOM 0 H LEU A 60 -7.542 1.506 11.215 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.830 0.851 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.876 -0.948 10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.565 -1.172 9.030 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.495 1.041 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.300 -0.074 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.424 -1.187 11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.170 -1.309 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.123 1.743 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.979 0.575 7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.863 1.940 8.560 1.00 0.00 H new ATOM 903 N GLU A 61 -9.895 -0.568 10.606 1.00 0.00 N ATOM 904 CA GLU A 61 -11.095 -1.389 10.748 1.00 0.00 C ATOM 905 C GLU A 61 -12.057 -1.140 9.579 1.00 0.00 C ATOM 906 O GLU A 61 -12.172 -0.012 9.086 1.00 0.00 O ATOM 907 CB GLU A 61 -11.781 -1.100 12.094 1.00 0.00 C ATOM 908 CG GLU A 61 -10.911 -1.502 13.295 1.00 0.00 C ATOM 909 CD GLU A 61 -11.653 -1.286 14.625 1.00 0.00 C ATOM 910 OE1 GLU A 61 -11.656 -0.151 15.153 1.00 0.00 O ATOM 911 OE2 GLU A 61 -12.237 -2.253 15.166 1.00 0.00 O ATOM 0 H GLU A 61 -9.671 -0.023 11.439 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.805 -2.440 10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.015 -0.037 12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.728 -1.638 12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.624 -2.549 13.203 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.991 -0.918 13.291 1.00 0.00 H new ATOM 918 N GLY A 62 -12.741 -2.200 9.141 1.00 0.00 N ATOM 919 CA GLY A 62 -13.519 -2.177 7.910 1.00 0.00 C ATOM 920 C GLY A 62 -12.623 -2.548 6.730 1.00 0.00 C ATOM 921 O GLY A 62 -12.568 -1.813 5.740 1.00 0.00 O ATOM 0 H GLY A 62 -12.768 -3.094 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.352 -2.877 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.947 -1.186 7.757 1.00 0.00 H new ATOM 925 N HIS A 63 -11.860 -3.635 6.866 1.00 0.00 N ATOM 926 CA HIS A 63 -10.943 -4.160 5.863 1.00 0.00 C ATOM 927 C HIS A 63 -11.054 -5.687 5.880 1.00 0.00 C ATOM 928 O HIS A 63 -11.259 -6.271 6.946 1.00 0.00 O ATOM 929 CB HIS A 63 -9.506 -3.719 6.199 1.00 0.00 C ATOM 930 CG HIS A 63 -8.450 -4.423 5.381 1.00 0.00 C ATOM 931 ND1 HIS A 63 -8.146 -4.184 4.059 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.680 -5.486 5.780 1.00 0.00 C ATOM 933 CE1 HIS A 63 -7.223 -5.078 3.679 1.00 0.00 C ATOM 934 NE2 HIS A 63 -6.893 -5.892 4.695 1.00 0.00 N ATOM 0 H HIS A 63 -11.868 -4.195 7.718 1.00 0.00 H new ATOM 0 HA HIS A 63 -11.193 -3.781 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.419 -2.644 6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.317 -3.903 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.681 -5.933 6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.800 -5.136 2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.210 -6.650 4.680 1.00 0.00 H new ATOM 942 N CYS A 64 -10.852 -6.313 4.719 1.00 0.00 N ATOM 943 CA CYS A 64 -10.711 -7.759 4.597 1.00 0.00 C ATOM 944 C CYS A 64 -9.494 -8.021 3.714 1.00 0.00 C ATOM 945 O CYS A 64 -9.445 -7.543 2.574 1.00 0.00 O ATOM 946 CB CYS A 64 -11.967 -8.378 3.963 1.00 0.00 C ATOM 947 SG CYS A 64 -13.435 -8.117 5.002 1.00 0.00 S ATOM 0 H CYS A 64 -10.781 -5.821 3.828 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.585 -8.211 5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.133 -7.939 2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.811 -9.446 3.813 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.104 -7.431 6.056 1.00 0.00 H new ATOM 953 N ALA A 65 -8.520 -8.766 4.231 1.00 0.00 N ATOM 954 CA ALA A 65 -7.367 -9.196 3.459 1.00 0.00 C ATOM 955 C ALA A 65 -7.803 -10.201 2.388 1.00 0.00 C ATOM 956 O ALA A 65 -8.825 -10.878 2.542 1.00 0.00 O ATOM 957 CB ALA A 65 -6.327 -9.790 4.412 1.00 0.00 C ATOM 0 H ALA A 65 -8.512 -9.087 5.199 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.915 -8.349 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.457 -10.116 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.024 -9.034 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.759 -10.643 4.936 1.00 0.00 H new ATOM 963 N ARG A 66 -7.029 -10.308 1.306 1.00 0.00 N ATOM 964 CA ARG A 66 -7.353 -11.152 0.152 1.00 0.00 C ATOM 965 C ARG A 66 -6.094 -11.317 -0.691 1.00 0.00 C ATOM 966 O ARG A 66 -5.270 -10.402 -0.746 1.00 0.00 O ATOM 967 CB ARG A 66 -8.502 -10.528 -0.669 1.00 0.00 C ATOM 968 CG ARG A 66 -8.109 -9.243 -1.419 1.00 0.00 C ATOM 969 CD ARG A 66 -9.320 -8.351 -1.695 1.00 0.00 C ATOM 970 NE ARG A 66 -9.699 -7.599 -0.486 1.00 0.00 N ATOM 971 CZ ARG A 66 -10.242 -6.379 -0.480 1.00 0.00 C ATOM 972 NH1 ARG A 66 -10.753 -5.835 -1.577 1.00 0.00 N ATOM 973 NH2 ARG A 66 -10.280 -5.678 0.640 1.00 0.00 N ATOM 0 H ARG A 66 -6.148 -9.805 1.205 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.693 -12.132 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.860 -11.263 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.334 -10.306 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.377 -8.689 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.629 -9.505 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.090 -7.657 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.159 -8.962 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.534 -8.045 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.738 -6.351 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.161 -4.901 -1.541 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.895 -6.069 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.695 -4.746 0.645 1.00 0.00 H new ATOM 987 N GLN A 67 -5.931 -12.465 -1.346 1.00 0.00 N ATOM 988 CA GLN A 67 -4.761 -12.688 -2.177 1.00 0.00 C ATOM 989 C GLN A 67 -4.946 -11.977 -3.509 1.00 0.00 C ATOM 990 O GLN A 67 -6.045 -11.932 -4.070 1.00 0.00 O ATOM 991 CB GLN A 67 -4.447 -14.188 -2.315 1.00 0.00 C ATOM 992 CG GLN A 67 -2.982 -14.385 -2.745 1.00 0.00 C ATOM 993 CD GLN A 67 -2.521 -15.844 -2.758 1.00 0.00 C ATOM 994 OE1 GLN A 67 -3.300 -16.780 -2.921 1.00 0.00 O ATOM 995 NE2 GLN A 67 -1.227 -16.066 -2.587 1.00 0.00 N ATOM 0 H GLN A 67 -6.589 -13.244 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.881 -12.257 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.627 -14.694 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.114 -14.641 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.848 -13.965 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.339 -13.819 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.588 -15.282 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.869 -17.021 -2.590 1.00 0.00 H new ATOM 1004 N ILE A 68 -3.839 -11.421 -3.993 1.00 0.00 N ATOM 1005 CA ILE A 68 -3.750 -10.859 -5.323 1.00 0.00 C ATOM 1006 C ILE A 68 -4.117 -11.932 -6.356 1.00 0.00 C ATOM 1007 O ILE A 68 -3.848 -13.123 -6.171 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.336 -10.261 -5.519 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.195 -9.396 -6.787 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.219 -11.319 -5.519 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -3.160 -8.206 -6.808 1.00 0.00 C ATOM 0 H ILE A 68 -2.972 -11.351 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.461 -10.045 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.216 -9.618 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.171 -9.028 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.372 -10.016 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.255 -10.830 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.220 -11.849 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.389 -12.028 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.013 -7.635 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.187 -8.569 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.967 -7.566 -5.947 1.00 0.00 H new ATOM 1023 N SER A 69 -4.695 -11.485 -7.461 1.00 0.00 N ATOM 1024 CA SER A 69 -4.923 -12.305 -8.640 1.00 0.00 C ATOM 1025 C SER A 69 -4.634 -11.429 -9.860 1.00 0.00 C ATOM 1026 O SER A 69 -4.606 -10.198 -9.745 1.00 0.00 O ATOM 1027 CB SER A 69 -6.363 -12.840 -8.615 1.00 0.00 C ATOM 1028 OG SER A 69 -7.306 -11.797 -8.801 1.00 0.00 O ATOM 0 H SER A 69 -5.024 -10.525 -7.565 1.00 0.00 H new ATOM 0 HA SER A 69 -4.269 -13.177 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.488 -13.589 -9.397 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.551 -13.338 -7.664 1.00 0.00 H new ATOM 0 HG SER A 69 -8.213 -12.168 -8.782 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.443 -12.022 -11.042 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.298 -11.228 -12.265 1.00 0.00 C ATOM 1036 C ARG A 70 -5.576 -10.432 -12.540 1.00 0.00 C ATOM 1037 O ARG A 70 -5.488 -9.297 -13.006 1.00 0.00 O ATOM 1038 CB ARG A 70 -3.898 -12.134 -13.440 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.554 -11.330 -14.705 1.00 0.00 C ATOM 1040 CD ARG A 70 -2.935 -12.249 -15.763 1.00 0.00 C ATOM 1041 NE ARG A 70 -2.589 -11.517 -16.994 1.00 0.00 N ATOM 1042 CZ ARG A 70 -1.817 -11.989 -17.980 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -1.252 -13.190 -17.894 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -1.617 -11.240 -19.055 1.00 0.00 N ATOM 0 H ARG A 70 -4.386 -13.031 -11.178 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.497 -10.501 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.039 -12.740 -13.153 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.714 -12.822 -13.660 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.454 -10.860 -15.102 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.859 -10.528 -14.457 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.039 -12.719 -15.356 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.635 -13.050 -16.002 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.968 -10.576 -17.103 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.404 -13.767 -17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.667 -13.534 -18.655 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.049 -10.318 -19.122 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.031 -11.585 -19.815 1.00 0.00 H new ATOM 1058 N ARG A 71 -6.750 -10.982 -12.204 1.00 0.00 N ATOM 1059 CA ARG A 71 -8.018 -10.264 -12.327 1.00 0.00 C ATOM 1060 C ARG A 71 -7.984 -9.007 -11.462 1.00 0.00 C ATOM 1061 O ARG A 71 -8.310 -7.928 -11.954 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.197 -11.191 -11.953 1.00 0.00 C ATOM 1063 CG ARG A 71 -10.426 -11.058 -12.867 1.00 0.00 C ATOM 1064 CD ARG A 71 -11.049 -9.659 -12.884 1.00 0.00 C ATOM 1065 NE ARG A 71 -11.580 -9.249 -11.570 1.00 0.00 N ATOM 1066 CZ ARG A 71 -11.998 -8.013 -11.263 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -12.005 -7.049 -12.181 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -12.408 -7.736 -10.030 1.00 0.00 N ATOM 0 H ARG A 71 -6.844 -11.931 -11.842 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.165 -9.954 -13.362 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.852 -12.225 -11.977 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.498 -10.979 -10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.139 -11.328 -13.883 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.181 -11.776 -12.547 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.299 -8.937 -13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.854 -9.634 -13.619 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.633 -9.960 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.690 -7.247 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.326 -6.113 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.405 -8.464 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.726 -6.795 -9.798 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.546 -9.116 -10.200 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.381 -7.951 -9.342 1.00 0.00 C ATOM 1084 C LEU A 72 -6.380 -6.982 -9.950 1.00 0.00 C ATOM 1085 O LEU A 72 -6.663 -5.792 -9.952 1.00 0.00 O ATOM 1086 CB LEU A 72 -6.926 -8.328 -7.923 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.078 -8.306 -6.912 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -9.119 -9.403 -7.157 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -7.530 -8.435 -5.486 1.00 0.00 C ATOM 0 H LEU A 72 -7.302 -10.002 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.359 -7.477 -9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.481 -9.323 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.149 -7.636 -7.598 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.583 -7.349 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.907 -9.331 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.551 -9.279 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.641 -10.380 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.357 -8.418 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.987 -9.375 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.856 -7.604 -5.278 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.247 -7.455 -10.479 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.262 -6.557 -11.072 1.00 0.00 C ATOM 1103 C CYS A 73 -4.920 -5.725 -12.180 1.00 0.00 C ATOM 1104 O CYS A 73 -4.866 -4.499 -12.139 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.054 -7.325 -11.628 1.00 0.00 C ATOM 1106 SG CYS A 73 -2.171 -8.248 -10.338 1.00 0.00 S ATOM 0 H CYS A 73 -4.995 -8.443 -10.507 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.895 -5.894 -10.288 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.390 -8.016 -12.401 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.368 -6.624 -12.104 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.946 -9.177 -9.861 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.610 -6.378 -13.126 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.292 -5.689 -14.224 1.00 0.00 C ATOM 1114 C ARG A 74 -7.352 -4.699 -13.726 1.00 0.00 C ATOM 1115 O ARG A 74 -7.660 -3.744 -14.439 1.00 0.00 O ATOM 1116 CB ARG A 74 -6.952 -6.728 -15.152 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.987 -7.536 -16.037 1.00 0.00 C ATOM 1118 CD ARG A 74 -5.274 -6.658 -17.079 1.00 0.00 C ATOM 1119 NE ARG A 74 -4.973 -7.391 -18.325 1.00 0.00 N ATOM 1120 CZ ARG A 74 -5.817 -7.599 -19.344 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.101 -7.252 -19.260 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.359 -8.155 -20.457 1.00 0.00 N ATOM 0 H ARG A 74 -5.709 -7.393 -13.149 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.541 -5.116 -14.767 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.524 -7.425 -14.539 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.663 -6.213 -15.797 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.243 -8.024 -15.407 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.540 -8.325 -16.547 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.898 -5.795 -17.311 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.346 -6.275 -16.653 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.033 -7.776 -18.419 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.458 -6.819 -18.408 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.727 -7.419 -20.048 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.376 -8.418 -20.529 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.990 -8.320 -21.242 1.00 0.00 H new ATOM 1136 N ASN A 75 -7.941 -4.929 -12.549 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.070 -4.146 -12.054 1.00 0.00 C ATOM 1138 C ASN A 75 -8.698 -2.694 -11.734 1.00 0.00 C ATOM 1139 O ASN A 75 -9.557 -1.820 -11.862 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.671 -4.809 -10.808 1.00 0.00 C ATOM 1141 CG ASN A 75 -10.992 -4.155 -10.420 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -12.032 -4.485 -10.983 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -10.995 -3.248 -9.457 1.00 0.00 N ATOM 0 H ASN A 75 -7.644 -5.668 -11.912 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.806 -4.121 -12.858 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.829 -5.871 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.968 -4.735 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.871 -2.811 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.121 -2.986 -9.000 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.451 -2.424 -11.329 1.00 0.00 N ATOM 1151 CA TYR A 76 -7.017 -1.097 -10.893 1.00 0.00 C ATOM 1152 C TYR A 76 -5.969 -0.557 -11.866 1.00 0.00 C ATOM 1153 O TYR A 76 -5.230 -1.325 -12.483 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.506 -1.152 -9.446 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.509 -1.740 -8.467 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.574 -3.132 -8.297 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.370 -0.917 -7.722 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -8.506 -3.712 -7.423 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -9.318 -1.482 -6.850 1.00 0.00 C ATOM 1160 CZ TYR A 76 -9.396 -2.886 -6.702 1.00 0.00 C ATOM 1161 OH TYR A 76 -10.353 -3.429 -5.902 1.00 0.00 O ATOM 0 H TYR A 76 -6.712 -3.127 -11.295 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.861 -0.407 -10.902 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.591 -1.744 -9.415 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.245 -0.144 -9.124 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.896 -3.767 -8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.304 0.157 -7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.543 -4.785 -7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.987 -0.843 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.874 -2.713 -5.483 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.907 0.766 -12.030 1.00 0.00 N ATOM 1172 CA ASP A 77 -5.104 1.383 -13.089 1.00 0.00 C ATOM 1173 C ASP A 77 -3.651 1.635 -12.673 1.00 0.00 C ATOM 1174 O ASP A 77 -2.814 1.952 -13.515 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.768 2.687 -13.551 1.00 0.00 C ATOM 1176 CG ASP A 77 -5.095 3.263 -14.811 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -4.842 2.504 -15.777 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.879 4.494 -14.861 1.00 0.00 O ATOM 0 H ASP A 77 -6.405 1.433 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.065 0.675 -13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.823 2.504 -13.755 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.722 3.422 -12.747 1.00 0.00 H new ATOM 1183 N LEU A 78 -3.322 1.495 -11.387 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.988 1.749 -10.850 1.00 0.00 C ATOM 1185 C LEU A 78 -1.850 0.870 -9.606 1.00 0.00 C ATOM 1186 O LEU A 78 -2.780 0.814 -8.796 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.889 3.262 -10.557 1.00 0.00 C ATOM 1188 CG LEU A 78 -0.500 3.883 -10.320 1.00 0.00 C ATOM 1189 CD1 LEU A 78 0.088 3.477 -8.972 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.479 3.603 -11.462 1.00 0.00 C ATOM 0 H LEU A 78 -3.991 1.196 -10.677 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.174 1.501 -11.531 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.348 3.791 -11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.497 3.468 -9.676 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.656 4.962 -10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.068 3.938 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.573 3.809 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.190 2.393 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.440 4.065 -11.239 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.611 2.527 -11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.084 4.017 -12.390 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.735 0.151 -9.464 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.569 -0.855 -8.417 1.00 0.00 C ATOM 1204 C ILE A 79 0.602 -0.409 -7.546 1.00 0.00 C ATOM 1205 O ILE A 79 1.639 0.008 -8.062 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.344 -2.256 -9.040 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -1.403 -2.657 -10.096 1.00 0.00 C ATOM 1208 CG2 ILE A 79 -0.260 -3.340 -7.949 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.839 -2.780 -9.574 1.00 0.00 C ATOM 0 H ILE A 79 0.078 0.251 -10.072 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.465 -0.941 -7.803 1.00 0.00 H new ATOM 0 HB ILE A 79 0.608 -2.184 -9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.388 -1.920 -10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.111 -3.611 -10.534 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.102 -4.313 -8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.571 -3.119 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.190 -3.357 -7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.500 -3.065 -10.392 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.879 -3.540 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.160 -1.823 -9.164 1.00 0.00 H new ATOM 1221 N LEU A 80 0.438 -0.505 -6.228 1.00 0.00 N ATOM 1222 CA LEU A 80 1.406 -0.078 -5.224 1.00 0.00 C ATOM 1223 C LEU A 80 1.973 -1.323 -4.561 1.00 0.00 C ATOM 1224 O LEU A 80 1.231 -2.263 -4.268 1.00 0.00 O ATOM 1225 CB LEU A 80 0.712 0.809 -4.176 1.00 0.00 C ATOM 1226 CG LEU A 80 0.830 2.322 -4.419 1.00 0.00 C ATOM 1227 CD1 LEU A 80 0.550 2.745 -5.859 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -0.153 3.045 -3.495 1.00 0.00 C ATOM 0 H LEU A 80 -0.408 -0.899 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 80 2.206 0.499 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.345 0.544 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.130 0.581 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 80 1.865 2.592 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.654 3.826 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.260 2.257 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.464 2.454 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.080 4.121 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.168 2.713 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.089 2.817 -2.457 1.00 0.00 H new ATOM 1240 N THR A 81 3.272 -1.305 -4.280 1.00 0.00 N ATOM 1241 CA THR A 81 3.998 -2.441 -3.728 1.00 0.00 C ATOM 1242 C THR A 81 5.012 -1.895 -2.713 1.00 0.00 C ATOM 1243 O THR A 81 5.343 -0.705 -2.752 1.00 0.00 O ATOM 1244 CB THR A 81 4.662 -3.213 -4.887 1.00 0.00 C ATOM 1245 OG1 THR A 81 5.386 -2.367 -5.756 1.00 0.00 O ATOM 1246 CG2 THR A 81 3.656 -3.990 -5.738 1.00 0.00 C ATOM 0 H THR A 81 3.859 -0.485 -4.433 1.00 0.00 H new ATOM 0 HA THR A 81 3.344 -3.142 -3.210 1.00 0.00 H new ATOM 0 HB THR A 81 5.339 -3.909 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.033 -1.455 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.182 -4.512 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.134 -4.714 -5.113 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.934 -3.297 -6.171 1.00 0.00 H new ATOM 1254 N MET A 82 5.489 -2.715 -1.769 1.00 0.00 N ATOM 1255 CA MET A 82 6.284 -2.225 -0.640 1.00 0.00 C ATOM 1256 C MET A 82 7.788 -2.371 -0.861 1.00 0.00 C ATOM 1257 O MET A 82 8.558 -1.624 -0.264 1.00 0.00 O ATOM 1258 CB MET A 82 5.932 -3.046 0.609 1.00 0.00 C ATOM 1259 CG MET A 82 4.472 -2.950 1.052 1.00 0.00 C ATOM 1260 SD MET A 82 3.927 -1.355 1.720 1.00 0.00 S ATOM 1261 CE MET A 82 3.208 -0.569 0.252 1.00 0.00 C ATOM 0 H MET A 82 5.337 -3.724 -1.766 1.00 0.00 H new ATOM 0 HA MET A 82 6.050 -1.166 -0.528 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.170 -4.092 0.417 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.568 -2.720 1.432 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.840 -3.195 0.198 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.295 -3.714 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.507 0.206 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.002 -0.123 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.683 -1.318 -0.341 1.00 0.00 H new ATOM 1271 N GLU A 83 8.216 -3.349 -1.662 1.00 0.00 N ATOM 1272 CA GLU A 83 9.622 -3.725 -1.773 1.00 0.00 C ATOM 1273 C GLU A 83 9.935 -4.038 -3.231 1.00 0.00 C ATOM 1274 O GLU A 83 9.033 -4.417 -3.980 1.00 0.00 O ATOM 1275 CB GLU A 83 9.894 -4.978 -0.915 1.00 0.00 C ATOM 1276 CG GLU A 83 9.611 -4.828 0.589 1.00 0.00 C ATOM 1277 CD GLU A 83 9.811 -6.154 1.327 1.00 0.00 C ATOM 1278 OE1 GLU A 83 10.915 -6.735 1.270 1.00 0.00 O ATOM 1279 OE2 GLU A 83 8.846 -6.653 1.948 1.00 0.00 O ATOM 0 H GLU A 83 7.594 -3.902 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 83 10.249 -2.905 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.289 -5.798 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.938 -5.265 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.271 -4.071 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.589 -4.478 0.736 1.00 0.00 H new ATOM 1286 N LYS A 84 11.209 -3.975 -3.633 1.00 0.00 N ATOM 1287 CA LYS A 84 11.607 -4.292 -5.007 1.00 0.00 C ATOM 1288 C LYS A 84 11.186 -5.713 -5.398 1.00 0.00 C ATOM 1289 O LYS A 84 10.652 -5.914 -6.488 1.00 0.00 O ATOM 1290 CB LYS A 84 13.116 -4.052 -5.220 1.00 0.00 C ATOM 1291 CG LYS A 84 13.526 -2.567 -5.104 1.00 0.00 C ATOM 1292 CD LYS A 84 14.103 -2.159 -3.733 1.00 0.00 C ATOM 1293 CE LYS A 84 14.332 -0.638 -3.706 1.00 0.00 C ATOM 1294 NZ LYS A 84 15.083 -0.169 -2.515 1.00 0.00 N ATOM 0 H LYS A 84 11.983 -3.707 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 84 11.078 -3.612 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.675 -4.633 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.399 -4.423 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.266 -2.348 -5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.655 -1.947 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.417 -2.449 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.042 -2.682 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.874 -0.345 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.366 -0.133 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.902 0.844 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.773 -0.702 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.101 -0.320 -2.665 1.00 0.00 H new ATOM 1308 N ARG A 85 11.314 -6.685 -4.485 1.00 0.00 N ATOM 1309 CA ARG A 85 10.798 -8.040 -4.710 1.00 0.00 C ATOM 1310 C ARG A 85 9.287 -8.054 -4.962 1.00 0.00 C ATOM 1311 O ARG A 85 8.829 -8.851 -5.774 1.00 0.00 O ATOM 1312 CB ARG A 85 11.213 -9.004 -3.576 1.00 0.00 C ATOM 1313 CG ARG A 85 10.743 -8.591 -2.171 1.00 0.00 C ATOM 1314 CD ARG A 85 11.004 -9.678 -1.121 1.00 0.00 C ATOM 1315 NE ARG A 85 10.473 -9.260 0.188 1.00 0.00 N ATOM 1316 CZ ARG A 85 9.820 -10.004 1.087 1.00 0.00 C ATOM 1317 NH1 ARG A 85 9.694 -11.319 0.930 1.00 0.00 N ATOM 1318 NH2 ARG A 85 9.283 -9.402 2.142 1.00 0.00 N ATOM 0 H ARG A 85 11.771 -6.557 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 85 11.262 -8.408 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.818 -9.995 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.300 -9.088 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.254 -7.675 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.677 -8.366 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.535 -10.612 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.074 -9.869 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 85 10.622 -8.283 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.099 -11.776 0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.192 -11.870 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.373 -8.392 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.780 -9.949 2.841 1.00 0.00 H new ATOM 1332 N HIS A 86 8.503 -7.184 -4.313 1.00 0.00 N ATOM 1333 CA HIS A 86 7.061 -7.140 -4.546 1.00 0.00 C ATOM 1334 C HIS A 86 6.790 -6.589 -5.947 1.00 0.00 C ATOM 1335 O HIS A 86 5.900 -7.112 -6.612 1.00 0.00 O ATOM 1336 CB HIS A 86 6.313 -6.291 -3.502 1.00 0.00 C ATOM 1337 CG HIS A 86 6.282 -6.794 -2.077 1.00 0.00 C ATOM 1338 ND1 HIS A 86 7.120 -7.708 -1.482 1.00 0.00 N ATOM 1339 CD2 HIS A 86 5.418 -6.363 -1.106 1.00 0.00 C ATOM 1340 CE1 HIS A 86 6.789 -7.793 -0.184 1.00 0.00 C ATOM 1341 NE2 HIS A 86 5.739 -6.998 0.100 1.00 0.00 N ATOM 0 H HIS A 86 8.843 -6.508 -3.629 1.00 0.00 H new ATOM 0 HA HIS A 86 6.687 -8.160 -4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.759 -5.297 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.283 -6.176 -3.839 1.00 0.00 H new ATOM 0 HD1 HIS A 86 7.863 -8.230 -1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.619 -5.650 -1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.297 -8.416 0.537 1.00 0.00 H new ATOM 1349 N ILE A 87 7.553 -5.589 -6.421 1.00 0.00 N ATOM 1350 CA ILE A 87 7.420 -5.090 -7.793 1.00 0.00 C ATOM 1351 C ILE A 87 7.600 -6.274 -8.747 1.00 0.00 C ATOM 1352 O ILE A 87 6.766 -6.486 -9.627 1.00 0.00 O ATOM 1353 CB ILE A 87 8.442 -3.969 -8.137 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.486 -2.819 -7.109 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.155 -3.382 -9.536 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.673 -1.872 -7.333 1.00 0.00 C ATOM 0 H ILE A 87 8.268 -5.113 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 87 6.432 -4.641 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 87 9.418 -4.454 -8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.557 -2.251 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.544 -3.237 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.881 -2.599 -9.758 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.232 -4.171 -10.284 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.150 -2.961 -9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.655 -1.082 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.605 -2.431 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.603 -1.430 -8.327 1.00 0.00 H new ATOM 1368 N GLU A 88 8.665 -7.059 -8.552 1.00 0.00 N ATOM 1369 CA GLU A 88 8.981 -8.171 -9.441 1.00 0.00 C ATOM 1370 C GLU A 88 7.859 -9.210 -9.426 1.00 0.00 C ATOM 1371 O GLU A 88 7.406 -9.635 -10.490 1.00 0.00 O ATOM 1372 CB GLU A 88 10.329 -8.806 -9.059 1.00 0.00 C ATOM 1373 CG GLU A 88 11.513 -7.884 -9.376 1.00 0.00 C ATOM 1374 CD GLU A 88 12.857 -8.556 -9.040 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.308 -8.488 -7.874 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.489 -9.144 -9.947 1.00 0.00 O ATOM 0 H GLU A 88 9.323 -6.940 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 88 9.068 -7.785 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.329 -9.042 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.450 -9.748 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.493 -7.615 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.416 -6.958 -8.809 1.00 0.00 H new ATOM 1383 N ARG A 89 7.355 -9.591 -8.245 1.00 0.00 N ATOM 1384 CA ARG A 89 6.281 -10.579 -8.161 1.00 0.00 C ATOM 1385 C ARG A 89 4.995 -10.056 -8.799 1.00 0.00 C ATOM 1386 O ARG A 89 4.309 -10.819 -9.473 1.00 0.00 O ATOM 1387 CB ARG A 89 6.037 -11.033 -6.718 1.00 0.00 C ATOM 1388 CG ARG A 89 7.205 -11.825 -6.110 1.00 0.00 C ATOM 1389 CD ARG A 89 7.608 -13.067 -6.911 1.00 0.00 C ATOM 1390 NE ARG A 89 8.520 -13.935 -6.148 1.00 0.00 N ATOM 1391 CZ ARG A 89 9.259 -14.929 -6.662 1.00 0.00 C ATOM 1392 NH1 ARG A 89 9.234 -15.197 -7.965 1.00 0.00 N ATOM 1393 NH2 ARG A 89 10.029 -15.656 -5.859 1.00 0.00 N ATOM 0 H ARG A 89 7.673 -9.232 -7.345 1.00 0.00 H new ATOM 0 HA ARG A 89 6.603 -11.453 -8.726 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.844 -10.157 -6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.138 -11.649 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.069 -11.167 -6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.935 -12.131 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.715 -13.629 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.089 -12.761 -7.840 1.00 0.00 H new ATOM 0 HE ARG A 89 8.596 -13.766 -5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.647 -14.643 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.802 -15.956 -8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.055 -15.456 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.594 -16.414 -6.243 1.00 0.00 H new ATOM 1407 N LEU A 90 4.659 -8.773 -8.642 1.00 0.00 N ATOM 1408 CA LEU A 90 3.481 -8.204 -9.296 1.00 0.00 C ATOM 1409 C LEU A 90 3.665 -8.167 -10.813 1.00 0.00 C ATOM 1410 O LEU A 90 2.700 -8.404 -11.539 1.00 0.00 O ATOM 1411 CB LEU A 90 3.157 -6.798 -8.757 1.00 0.00 C ATOM 1412 CG LEU A 90 2.065 -6.732 -7.677 1.00 0.00 C ATOM 1413 CD1 LEU A 90 0.698 -7.183 -8.207 1.00 0.00 C ATOM 1414 CD2 LEU A 90 2.445 -7.542 -6.437 1.00 0.00 C ATOM 0 H LEU A 90 5.184 -8.112 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 90 2.635 -8.852 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.071 -6.366 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.853 -6.170 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 90 1.983 -5.684 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.041 -7.119 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.397 -6.538 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.765 -8.213 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.648 -7.470 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.589 -8.586 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.369 -7.148 -6.014 1.00 0.00 H new ATOM 1426 N CYS A 91 4.878 -7.917 -11.313 1.00 0.00 N ATOM 1427 CA CYS A 91 5.150 -8.010 -12.742 1.00 0.00 C ATOM 1428 C CYS A 91 4.960 -9.451 -13.232 1.00 0.00 C ATOM 1429 O CYS A 91 4.469 -9.642 -14.339 1.00 0.00 O ATOM 1430 CB CYS A 91 6.554 -7.495 -13.076 1.00 0.00 C ATOM 1431 SG CYS A 91 6.677 -5.722 -12.692 1.00 0.00 S ATOM 0 H CYS A 91 5.683 -7.649 -10.747 1.00 0.00 H new ATOM 0 HA CYS A 91 4.436 -7.374 -13.264 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.299 -8.051 -12.506 1.00 0.00 H new ATOM 0 HB3 CYS A 91 6.770 -7.662 -14.131 1.00 0.00 H new ATOM 0 HG CYS A 91 6.762 -5.562 -11.405 1.00 0.00 H new ATOM 1437 N GLU A 92 5.293 -10.472 -12.433 1.00 0.00 N ATOM 1438 CA GLU A 92 4.994 -11.857 -12.791 1.00 0.00 C ATOM 1439 C GLU A 92 3.478 -12.113 -12.796 1.00 0.00 C ATOM 1440 O GLU A 92 2.990 -12.834 -13.669 1.00 0.00 O ATOM 1441 CB GLU A 92 5.709 -12.855 -11.864 1.00 0.00 C ATOM 1442 CG GLU A 92 7.229 -12.869 -12.075 1.00 0.00 C ATOM 1443 CD GLU A 92 7.897 -13.985 -11.256 1.00 0.00 C ATOM 1444 OE1 GLU A 92 7.911 -13.906 -10.007 1.00 0.00 O ATOM 1445 OE2 GLU A 92 8.426 -14.948 -11.857 1.00 0.00 O ATOM 0 H GLU A 92 5.768 -10.362 -11.537 1.00 0.00 H new ATOM 0 HA GLU A 92 5.373 -12.015 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.492 -12.602 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.312 -13.855 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.450 -13.010 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.647 -11.904 -11.788 1.00 0.00 H new ATOM 1452 N MET A 93 2.724 -11.518 -11.860 1.00 0.00 N ATOM 1453 CA MET A 93 1.265 -11.648 -11.825 1.00 0.00 C ATOM 1454 C MET A 93 0.612 -11.011 -13.056 1.00 0.00 C ATOM 1455 O MET A 93 -0.373 -11.554 -13.559 1.00 0.00 O ATOM 1456 CB MET A 93 0.672 -11.021 -10.550 1.00 0.00 C ATOM 1457 CG MET A 93 0.997 -11.798 -9.267 1.00 0.00 C ATOM 1458 SD MET A 93 0.404 -13.516 -9.187 1.00 0.00 S ATOM 1459 CE MET A 93 -1.386 -13.277 -9.355 1.00 0.00 C ATOM 0 H MET A 93 3.107 -10.938 -11.113 1.00 0.00 H new ATOM 0 HA MET A 93 1.049 -12.716 -11.826 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.045 -10.002 -10.450 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.411 -10.955 -10.659 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.079 -11.804 -9.137 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.577 -11.252 -8.422 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.897 -14.224 -9.182 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.725 -12.543 -8.624 1.00 0.00 H new ATOM 0 HE3 MET A 93 -1.613 -12.920 -10.360 1.00 0.00 H new ATOM 1469 N ALA A 94 1.139 -9.882 -13.544 1.00 0.00 N ATOM 1470 CA ALA A 94 0.562 -9.150 -14.664 1.00 0.00 C ATOM 1471 C ALA A 94 1.684 -8.468 -15.465 1.00 0.00 C ATOM 1472 O ALA A 94 1.968 -7.291 -15.230 1.00 0.00 O ATOM 1473 CB ALA A 94 -0.474 -8.141 -14.139 1.00 0.00 C ATOM 0 H ALA A 94 1.984 -9.453 -13.166 1.00 0.00 H new ATOM 0 HA ALA A 94 0.045 -9.833 -15.338 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.906 -7.593 -14.977 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.263 -8.673 -13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.012 -7.441 -13.460 1.00 0.00 H new ATOM 1479 N PRO A 95 2.333 -9.164 -16.419 1.00 0.00 N ATOM 1480 CA PRO A 95 3.457 -8.601 -17.169 1.00 0.00 C ATOM 1481 C PRO A 95 3.030 -7.433 -18.064 1.00 0.00 C ATOM 1482 O PRO A 95 3.834 -6.543 -18.345 1.00 0.00 O ATOM 1483 CB PRO A 95 4.051 -9.769 -17.964 1.00 0.00 C ATOM 1484 CG PRO A 95 2.892 -10.755 -18.094 1.00 0.00 C ATOM 1485 CD PRO A 95 2.103 -10.550 -16.803 1.00 0.00 C ATOM 0 HA PRO A 95 4.202 -8.167 -16.502 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.411 -9.445 -18.941 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.899 -10.216 -17.444 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.284 -10.545 -18.974 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.247 -11.781 -18.189 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.041 -10.743 -16.958 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.441 -11.234 -16.024 1.00 0.00 H new ATOM 1493 N GLU A 96 1.751 -7.389 -18.451 1.00 0.00 N ATOM 1494 CA GLU A 96 1.164 -6.276 -19.199 1.00 0.00 C ATOM 1495 C GLU A 96 1.288 -4.953 -18.430 1.00 0.00 C ATOM 1496 O GLU A 96 1.295 -3.878 -19.031 1.00 0.00 O ATOM 1497 CB GLU A 96 -0.328 -6.558 -19.443 1.00 0.00 C ATOM 1498 CG GLU A 96 -0.577 -7.883 -20.170 1.00 0.00 C ATOM 1499 CD GLU A 96 -2.076 -8.171 -20.279 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -2.662 -8.691 -19.302 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -2.695 -7.919 -21.334 1.00 0.00 O ATOM 0 H GLU A 96 1.087 -8.136 -18.250 1.00 0.00 H new ATOM 0 HA GLU A 96 1.704 -6.185 -20.142 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.850 -6.571 -18.486 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.755 -5.743 -20.028 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.136 -7.845 -21.166 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.084 -8.695 -19.635 1.00 0.00 H new ATOM 1508 N MET A 97 1.381 -5.038 -17.100 1.00 0.00 N ATOM 1509 CA MET A 97 1.375 -3.899 -16.189 1.00 0.00 C ATOM 1510 C MET A 97 2.788 -3.531 -15.727 1.00 0.00 C ATOM 1511 O MET A 97 2.933 -2.739 -14.794 1.00 0.00 O ATOM 1512 CB MET A 97 0.435 -4.184 -15.006 1.00 0.00 C ATOM 1513 CG MET A 97 -1.002 -4.435 -15.482 1.00 0.00 C ATOM 1514 SD MET A 97 -2.218 -4.591 -14.152 1.00 0.00 S ATOM 1515 CE MET A 97 -2.340 -2.857 -13.626 1.00 0.00 C ATOM 0 H MET A 97 1.465 -5.932 -16.616 1.00 0.00 H new ATOM 0 HA MET A 97 0.997 -3.028 -16.724 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.794 -5.053 -14.455 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.449 -3.340 -14.316 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.302 -3.617 -16.137 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.019 -5.346 -16.081 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.164 -2.748 -12.921 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.409 -2.556 -13.146 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.520 -2.225 -14.495 1.00 0.00 H new ATOM 1525 N ARG A 98 3.845 -4.068 -16.350 1.00 0.00 N ATOM 1526 CA ARG A 98 5.201 -3.576 -16.095 1.00 0.00 C ATOM 1527 C ARG A 98 5.221 -2.064 -16.362 1.00 0.00 C ATOM 1528 O ARG A 98 4.652 -1.603 -17.354 1.00 0.00 O ATOM 1529 CB ARG A 98 6.236 -4.369 -16.913 1.00 0.00 C ATOM 1530 CG ARG A 98 6.168 -4.143 -18.436 1.00 0.00 C ATOM 1531 CD ARG A 98 7.023 -5.156 -19.210 1.00 0.00 C ATOM 1532 NE ARG A 98 8.458 -5.057 -18.877 1.00 0.00 N ATOM 1533 CZ ARG A 98 9.345 -4.207 -19.415 1.00 0.00 C ATOM 1534 NH1 ARG A 98 8.972 -3.332 -20.347 1.00 0.00 N ATOM 1535 NH2 ARG A 98 10.611 -4.236 -19.011 1.00 0.00 N ATOM 0 H ARG A 98 3.788 -4.832 -17.024 1.00 0.00 H new ATOM 0 HA ARG A 98 5.485 -3.734 -15.055 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.234 -4.103 -16.565 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.101 -5.432 -16.711 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.132 -4.216 -18.767 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.506 -3.133 -18.667 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.672 -6.165 -18.992 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.890 -4.996 -20.280 1.00 0.00 H new ATOM 0 HE ARG A 98 8.810 -5.699 -18.167 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.002 -3.303 -20.660 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.657 -2.691 -20.748 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.903 -4.902 -18.296 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.291 -3.592 -19.416 1.00 0.00 H new ATOM 1549 N GLY A 99 5.816 -1.289 -15.455 1.00 0.00 N ATOM 1550 CA GLY A 99 5.792 0.173 -15.509 1.00 0.00 C ATOM 1551 C GLY A 99 4.529 0.799 -14.895 1.00 0.00 C ATOM 1552 O GLY A 99 4.478 2.022 -14.763 1.00 0.00 O ATOM 0 H GLY A 99 6.332 -1.660 -14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.668 0.560 -14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.874 0.490 -16.549 1.00 0.00 H new ATOM 1556 N LYS A 100 3.534 -0.001 -14.484 1.00 0.00 N ATOM 1557 CA LYS A 100 2.345 0.439 -13.737 1.00 0.00 C ATOM 1558 C LYS A 100 2.340 -0.150 -12.321 1.00 0.00 C ATOM 1559 O LYS A 100 1.488 0.207 -11.506 1.00 0.00 O ATOM 1560 CB LYS A 100 1.052 0.091 -14.495 1.00 0.00 C ATOM 1561 CG LYS A 100 1.036 0.639 -15.934 1.00 0.00 C ATOM 1562 CD LYS A 100 -0.283 0.362 -16.668 1.00 0.00 C ATOM 1563 CE LYS A 100 -1.437 1.189 -16.081 1.00 0.00 C ATOM 1564 NZ LYS A 100 -2.697 1.067 -16.854 1.00 0.00 N ATOM 0 H LYS A 100 3.534 -1.004 -14.668 1.00 0.00 H new ATOM 0 HA LYS A 100 2.387 1.524 -13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.933 -0.992 -14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.198 0.492 -13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.212 1.714 -15.909 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.858 0.194 -16.495 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.168 0.596 -17.726 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.523 -0.699 -16.600 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.617 0.872 -15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.141 2.238 -16.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.394 1.748 -16.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.509 1.265 -17.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.072 0.102 -16.756 1.00 0.00 H new ATOM 1578 N VAL A 101 3.262 -1.067 -12.028 1.00 0.00 N ATOM 1579 CA VAL A 101 3.522 -1.527 -10.671 1.00 0.00 C ATOM 1580 C VAL A 101 4.564 -0.542 -10.122 1.00 0.00 C ATOM 1581 O VAL A 101 5.565 -0.277 -10.797 1.00 0.00 O ATOM 1582 CB VAL A 101 4.042 -2.976 -10.703 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.281 -3.504 -9.287 1.00 0.00 C ATOM 1584 CG2 VAL A 101 3.062 -3.936 -11.402 1.00 0.00 C ATOM 0 H VAL A 101 3.851 -1.512 -12.732 1.00 0.00 H new ATOM 0 HA VAL A 101 2.633 -1.544 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 101 4.976 -2.945 -11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.648 -4.529 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.020 -2.879 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.346 -3.481 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.475 -4.945 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.109 -3.932 -10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.907 -3.612 -12.431 1.00 0.00 H new ATOM 1594 N MET A 102 4.341 -0.003 -8.919 1.00 0.00 N ATOM 1595 CA MET A 102 5.132 1.106 -8.393 1.00 0.00 C ATOM 1596 C MET A 102 5.523 0.813 -6.947 1.00 0.00 C ATOM 1597 O MET A 102 4.685 0.360 -6.161 1.00 0.00 O ATOM 1598 CB MET A 102 4.289 2.400 -8.420 1.00 0.00 C ATOM 1599 CG MET A 102 3.511 2.658 -9.720 1.00 0.00 C ATOM 1600 SD MET A 102 4.492 3.030 -11.196 1.00 0.00 S ATOM 1601 CE MET A 102 4.530 4.839 -11.072 1.00 0.00 C ATOM 0 H MET A 102 3.608 -0.325 -8.287 1.00 0.00 H new ATOM 0 HA MET A 102 6.025 1.228 -9.005 1.00 0.00 H new ATOM 0 HB2 MET A 102 3.579 2.367 -7.593 1.00 0.00 H new ATOM 0 HB3 MET A 102 4.950 3.247 -8.239 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.900 1.780 -9.930 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.827 3.489 -9.548 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.098 5.249 -11.907 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.512 5.227 -11.100 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.003 5.130 -10.134 1.00 0.00 H new ATOM 1611 N LEU A 103 6.774 1.089 -6.571 1.00 0.00 N ATOM 1612 CA LEU A 103 7.191 1.055 -5.172 1.00 0.00 C ATOM 1613 C LEU A 103 6.532 2.251 -4.482 1.00 0.00 C ATOM 1614 O LEU A 103 6.717 3.388 -4.920 1.00 0.00 O ATOM 1615 CB LEU A 103 8.729 1.137 -5.076 1.00 0.00 C ATOM 1616 CG LEU A 103 9.312 0.365 -3.877 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.842 0.453 -3.898 1.00 0.00 C ATOM 1618 CD2 LEU A 103 8.823 0.897 -2.529 1.00 0.00 C ATOM 0 H LEU A 103 7.518 1.340 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 103 6.887 0.126 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.164 0.746 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.025 2.183 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 103 8.971 -0.665 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.250 -0.094 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.219 0.019 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.147 1.498 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.268 0.313 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.114 1.942 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.737 0.816 -2.478 1.00 0.00 H new ATOM 1630 N PHE A 104 5.767 2.032 -3.414 1.00 0.00 N ATOM 1631 CA PHE A 104 5.047 3.114 -2.752 1.00 0.00 C ATOM 1632 C PHE A 104 6.007 4.167 -2.185 1.00 0.00 C ATOM 1633 O PHE A 104 5.764 5.363 -2.342 1.00 0.00 O ATOM 1634 CB PHE A 104 4.123 2.541 -1.669 1.00 0.00 C ATOM 1635 CG PHE A 104 3.126 3.531 -1.086 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.391 4.382 -1.931 1.00 0.00 C ATOM 1637 CD2 PHE A 104 2.881 3.564 0.299 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.403 5.227 -1.411 1.00 0.00 C ATOM 1639 CE2 PHE A 104 1.877 4.401 0.823 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.114 5.205 -0.042 1.00 0.00 C ATOM 0 H PHE A 104 5.631 1.114 -2.990 1.00 0.00 H new ATOM 0 HA PHE A 104 4.431 3.624 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.573 1.699 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.737 2.147 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.591 4.384 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.465 2.945 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.864 5.895 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.694 4.425 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.306 5.805 0.350 1.00 0.00 H new ATOM 1650 N GLY A 105 7.136 3.735 -1.617 1.00 0.00 N ATOM 1651 CA GLY A 105 8.138 4.627 -1.039 1.00 0.00 C ATOM 1652 C GLY A 105 9.095 5.239 -2.065 1.00 0.00 C ATOM 1653 O GLY A 105 10.147 5.742 -1.670 1.00 0.00 O ATOM 0 H GLY A 105 7.380 2.747 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.630 5.431 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.719 4.074 -0.301 1.00 0.00 H new ATOM 1657 N HIS A 106 8.785 5.175 -3.367 1.00 0.00 N ATOM 1658 CA HIS A 106 9.649 5.648 -4.448 1.00 0.00 C ATOM 1659 C HIS A 106 10.194 7.060 -4.199 1.00 0.00 C ATOM 1660 O HIS A 106 11.396 7.286 -4.347 1.00 0.00 O ATOM 1661 CB HIS A 106 8.887 5.563 -5.777 1.00 0.00 C ATOM 1662 CG HIS A 106 9.541 6.285 -6.932 1.00 0.00 C ATOM 1663 ND1 HIS A 106 10.601 5.842 -7.695 1.00 0.00 N ATOM 1664 CD2 HIS A 106 9.187 7.519 -7.415 1.00 0.00 C ATOM 1665 CE1 HIS A 106 10.880 6.788 -8.607 1.00 0.00 C ATOM 1666 NE2 HIS A 106 10.041 7.835 -8.479 1.00 0.00 N ATOM 0 H HIS A 106 7.905 4.783 -3.702 1.00 0.00 H new ATOM 0 HA HIS A 106 10.525 5.000 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.768 4.513 -6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 106 7.886 5.971 -5.632 1.00 0.00 H new ATOM 0 HD1 HIS A 106 11.088 4.952 -7.586 1.00 0.00 H new ATOM 0 HD2 HIS A 106 8.387 8.140 -7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.668 6.719 -9.342 1.00 0.00 H new ATOM 1674 N TRP A 107 9.331 7.998 -3.797 1.00 0.00 N ATOM 1675 CA TRP A 107 9.716 9.402 -3.645 1.00 0.00 C ATOM 1676 C TRP A 107 10.775 9.592 -2.555 1.00 0.00 C ATOM 1677 O TRP A 107 11.612 10.490 -2.658 1.00 0.00 O ATOM 1678 CB TRP A 107 8.482 10.242 -3.303 1.00 0.00 C ATOM 1679 CG TRP A 107 7.235 9.914 -4.065 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.235 9.135 -3.600 1.00 0.00 C ATOM 1681 CD2 TRP A 107 6.825 10.330 -5.407 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.252 9.035 -4.554 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.552 9.750 -5.686 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.391 11.135 -6.420 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 4.871 9.956 -6.892 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 6.711 11.360 -7.635 1.00 0.00 C ATOM 1687 CH2 TRP A 107 5.453 10.775 -7.870 1.00 0.00 C ATOM 0 H TRP A 107 8.355 7.807 -3.570 1.00 0.00 H new ATOM 0 HA TRP A 107 10.146 9.729 -4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.274 10.130 -2.239 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.723 11.292 -3.472 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.212 8.664 -2.629 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.397 8.492 -4.435 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.360 11.585 -6.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.912 9.491 -7.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 7.160 11.987 -8.392 1.00 0.00 H new ATOM 0 HH2 TRP A 107 4.937 10.956 -8.801 1.00 0.00 H new ATOM 1698 N ASP A 108 10.749 8.747 -1.520 1.00 0.00 N ATOM 1699 CA ASP A 108 11.705 8.801 -0.419 1.00 0.00 C ATOM 1700 C ASP A 108 12.892 7.918 -0.783 1.00 0.00 C ATOM 1701 O ASP A 108 13.136 6.886 -0.161 1.00 0.00 O ATOM 1702 CB ASP A 108 11.030 8.422 0.910 1.00 0.00 C ATOM 1703 CG ASP A 108 11.934 8.654 2.138 1.00 0.00 C ATOM 1704 OD1 ASP A 108 12.998 9.309 2.033 1.00 0.00 O ATOM 1705 OD2 ASP A 108 11.517 8.258 3.250 1.00 0.00 O ATOM 0 H ASP A 108 10.058 8.003 -1.426 1.00 0.00 H new ATOM 0 HA ASP A 108 12.075 9.815 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.116 9.004 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 108 10.737 7.373 0.875 1.00 0.00 H new ATOM 1710 N ASN A 109 13.594 8.325 -1.849 1.00 0.00 N ATOM 1711 CA ASN A 109 14.826 7.682 -2.313 1.00 0.00 C ATOM 1712 C ASN A 109 14.678 6.156 -2.484 1.00 0.00 C ATOM 1713 O ASN A 109 15.578 5.384 -2.151 1.00 0.00 O ATOM 1714 CB ASN A 109 15.972 8.111 -1.383 1.00 0.00 C ATOM 1715 CG ASN A 109 17.343 7.639 -1.850 1.00 0.00 C ATOM 1716 OD1 ASN A 109 17.655 7.608 -3.038 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.199 7.291 -0.906 1.00 0.00 N ATOM 0 H ASN A 109 13.316 9.123 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 109 15.064 8.019 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 109 15.978 9.198 -1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 109 15.783 7.720 -0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.140 6.989 -1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.919 7.324 0.074 1.00 0.00 H new ATOM 1724 N GLU A 110 13.513 5.738 -2.993 1.00 0.00 N ATOM 1725 CA GLU A 110 13.143 4.332 -3.186 1.00 0.00 C ATOM 1726 C GLU A 110 13.392 3.454 -1.953 1.00 0.00 C ATOM 1727 O GLU A 110 13.823 2.302 -2.065 1.00 0.00 O ATOM 1728 CB GLU A 110 13.733 3.769 -4.492 1.00 0.00 C ATOM 1729 CG GLU A 110 13.401 4.670 -5.688 1.00 0.00 C ATOM 1730 CD GLU A 110 13.493 3.931 -7.030 1.00 0.00 C ATOM 1731 OE1 GLU A 110 14.614 3.611 -7.490 1.00 0.00 O ATOM 1732 OE2 GLU A 110 12.429 3.697 -7.647 1.00 0.00 O ATOM 0 H GLU A 110 12.783 6.386 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 110 12.060 4.304 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.815 3.675 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.341 2.767 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.395 5.071 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.084 5.520 -5.698 1.00 0.00 H new ATOM 1739 N CYS A 111 13.118 4.009 -0.774 1.00 0.00 N ATOM 1740 CA CYS A 111 13.121 3.248 0.464 1.00 0.00 C ATOM 1741 C CYS A 111 11.991 2.220 0.413 1.00 0.00 C ATOM 1742 O CYS A 111 10.816 2.588 0.341 1.00 0.00 O ATOM 1743 CB CYS A 111 12.928 4.182 1.662 1.00 0.00 C ATOM 1744 SG CYS A 111 14.450 5.119 1.981 1.00 0.00 S ATOM 0 H CYS A 111 12.889 4.996 -0.655 1.00 0.00 H new ATOM 0 HA CYS A 111 14.078 2.739 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 111 12.104 4.869 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 111 12.658 3.602 2.544 1.00 0.00 H new ATOM 0 HG CYS A 111 14.464 6.188 1.242 1.00 0.00 H new ATOM 1750 N GLU A 112 12.344 0.937 0.464 1.00 0.00 N ATOM 1751 CA GLU A 112 11.371 -0.126 0.644 1.00 0.00 C ATOM 1752 C GLU A 112 10.759 -0.037 2.045 1.00 0.00 C ATOM 1753 O GLU A 112 11.423 0.386 2.997 1.00 0.00 O ATOM 1754 CB GLU A 112 11.989 -1.505 0.360 1.00 0.00 C ATOM 1755 CG GLU A 112 13.089 -2.004 1.317 1.00 0.00 C ATOM 1756 CD GLU A 112 14.416 -1.226 1.231 1.00 0.00 C ATOM 1757 OE1 GLU A 112 14.707 -0.633 0.168 1.00 0.00 O ATOM 1758 OE2 GLU A 112 15.180 -1.220 2.222 1.00 0.00 O ATOM 0 H GLU A 112 13.307 0.612 0.382 1.00 0.00 H new ATOM 0 HA GLU A 112 10.567 0.002 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.184 -2.240 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.404 -1.486 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.716 -1.947 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.285 -3.055 1.107 1.00 0.00 H new ATOM 1765 N ILE A 113 9.493 -0.432 2.168 1.00 0.00 N ATOM 1766 CA ILE A 113 8.774 -0.388 3.433 1.00 0.00 C ATOM 1767 C ILE A 113 9.091 -1.697 4.179 1.00 0.00 C ATOM 1768 O ILE A 113 8.946 -2.765 3.574 1.00 0.00 O ATOM 1769 CB ILE A 113 7.250 -0.228 3.206 1.00 0.00 C ATOM 1770 CG1 ILE A 113 6.848 0.747 2.068 1.00 0.00 C ATOM 1771 CG2 ILE A 113 6.566 0.162 4.527 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.299 2.200 2.231 1.00 0.00 C ATOM 0 H ILE A 113 8.939 -0.791 1.390 1.00 0.00 H new ATOM 0 HA ILE A 113 9.089 0.474 4.022 1.00 0.00 H new ATOM 0 HB ILE A 113 6.900 -1.202 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.254 0.366 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.762 0.734 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.494 0.274 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.740 -0.616 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.978 1.105 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.960 2.784 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.872 2.613 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.387 2.239 2.289 1.00 0.00 H new ATOM 1784 N PRO A 114 9.494 -1.664 5.463 1.00 0.00 N ATOM 1785 CA PRO A 114 9.617 -2.859 6.294 1.00 0.00 C ATOM 1786 C PRO A 114 8.308 -3.660 6.386 1.00 0.00 C ATOM 1787 O PRO A 114 7.247 -3.218 5.933 1.00 0.00 O ATOM 1788 CB PRO A 114 10.076 -2.377 7.677 1.00 0.00 C ATOM 1789 CG PRO A 114 10.665 -0.992 7.421 1.00 0.00 C ATOM 1790 CD PRO A 114 9.880 -0.481 6.216 1.00 0.00 C ATOM 0 HA PRO A 114 10.336 -3.549 5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.243 -2.331 8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 114 10.817 -3.051 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.542 -0.339 8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 114 11.733 -1.044 7.210 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.003 0.085 6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.489 0.188 5.608 1.00 0.00 H new ATOM 1798 N ASP A 115 8.371 -4.827 7.027 1.00 0.00 N ATOM 1799 CA ASP A 115 7.229 -5.702 7.274 1.00 0.00 C ATOM 1800 C ASP A 115 7.076 -5.876 8.786 1.00 0.00 C ATOM 1801 O ASP A 115 7.927 -6.529 9.397 1.00 0.00 O ATOM 1802 CB ASP A 115 7.432 -7.066 6.601 1.00 0.00 C ATOM 1803 CG ASP A 115 6.480 -8.105 7.211 1.00 0.00 C ATOM 1804 OD1 ASP A 115 5.283 -7.786 7.380 1.00 0.00 O ATOM 1805 OD2 ASP A 115 6.955 -9.207 7.570 1.00 0.00 O ATOM 0 H ASP A 115 9.245 -5.199 7.399 1.00 0.00 H new ATOM 0 HA ASP A 115 6.328 -5.256 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.251 -6.981 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.465 -7.391 6.726 1.00 0.00 H new ATOM 1810 N PRO A 116 6.044 -5.300 9.422 1.00 0.00 N ATOM 1811 CA PRO A 116 5.913 -5.320 10.869 1.00 0.00 C ATOM 1812 C PRO A 116 5.239 -6.600 11.391 1.00 0.00 C ATOM 1813 O PRO A 116 5.159 -6.778 12.607 1.00 0.00 O ATOM 1814 CB PRO A 116 5.078 -4.078 11.174 1.00 0.00 C ATOM 1815 CG PRO A 116 4.106 -4.024 9.997 1.00 0.00 C ATOM 1816 CD PRO A 116 4.938 -4.557 8.827 1.00 0.00 C ATOM 0 HA PRO A 116 6.884 -5.314 11.365 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.555 -4.166 12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.694 -3.181 11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.224 -4.638 10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.755 -3.009 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.338 -5.200 8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.306 -3.740 8.207 1.00 0.00 H new ATOM 1824 N TYR A 117 4.742 -7.483 10.515 1.00 0.00 N ATOM 1825 CA TYR A 117 3.989 -8.665 10.901 1.00 0.00 C ATOM 1826 C TYR A 117 4.783 -9.509 11.904 1.00 0.00 C ATOM 1827 O TYR A 117 5.958 -9.814 11.666 1.00 0.00 O ATOM 1828 CB TYR A 117 3.649 -9.442 9.623 1.00 0.00 C ATOM 1829 CG TYR A 117 2.882 -10.733 9.820 1.00 0.00 C ATOM 1830 CD1 TYR A 117 1.655 -10.729 10.507 1.00 0.00 C ATOM 1831 CD2 TYR A 117 3.386 -11.932 9.286 1.00 0.00 C ATOM 1832 CE1 TYR A 117 0.941 -11.930 10.680 1.00 0.00 C ATOM 1833 CE2 TYR A 117 2.672 -13.133 9.440 1.00 0.00 C ATOM 1834 CZ TYR A 117 1.447 -13.139 10.146 1.00 0.00 C ATOM 1835 OH TYR A 117 0.746 -14.295 10.319 1.00 0.00 O ATOM 0 H TYR A 117 4.858 -7.387 9.506 1.00 0.00 H new ATOM 0 HA TYR A 117 3.064 -8.388 11.406 1.00 0.00 H new ATOM 0 HB2 TYR A 117 3.067 -8.792 8.969 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.578 -9.670 9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.260 -9.805 10.902 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.326 -11.930 8.755 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.006 -11.929 11.221 1.00 0.00 H new ATOM 0 HE2 TYR A 117 3.059 -14.050 9.020 1.00 0.00 H new ATOM 0 HH TYR A 117 1.226 -15.035 9.893 1.00 0.00 H new ATOM 1845 N ARG A 118 4.126 -9.878 13.014 1.00 0.00 N ATOM 1846 CA ARG A 118 4.709 -10.671 14.106 1.00 0.00 C ATOM 1847 C ARG A 118 5.913 -10.004 14.793 1.00 0.00 C ATOM 1848 O ARG A 118 6.709 -10.704 15.423 1.00 0.00 O ATOM 1849 CB ARG A 118 4.983 -12.126 13.659 1.00 0.00 C ATOM 1850 CG ARG A 118 3.720 -12.849 13.160 1.00 0.00 C ATOM 1851 CD ARG A 118 4.003 -14.298 12.748 1.00 0.00 C ATOM 1852 NE ARG A 118 4.882 -14.377 11.567 1.00 0.00 N ATOM 1853 CZ ARG A 118 5.349 -15.504 11.013 1.00 0.00 C ATOM 1854 NH1 ARG A 118 5.038 -16.692 11.529 1.00 0.00 N ATOM 1855 NH2 ARG A 118 6.127 -15.437 9.938 1.00 0.00 N ATOM 0 H ARG A 118 3.152 -9.627 13.181 1.00 0.00 H new ATOM 0 HA ARG A 118 3.954 -10.714 14.891 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.730 -12.122 12.865 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.408 -12.683 14.494 1.00 0.00 H new ATOM 0 HG2 ARG A 118 2.964 -12.838 13.945 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.305 -12.307 12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 118 4.467 -14.827 13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.062 -14.804 12.533 1.00 0.00 H new ATOM 0 HE ARG A 118 5.159 -13.496 11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.439 -16.749 12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.398 -17.544 11.100 1.00 0.00 H new ATOM 0 HH21 ARG A 118 6.367 -14.530 9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.485 -16.293 9.513 1.00 0.00 H new ATOM 1869 N LYS A 119 6.052 -8.676 14.713 1.00 0.00 N ATOM 1870 CA LYS A 119 7.145 -7.942 15.370 1.00 0.00 C ATOM 1871 C LYS A 119 6.562 -6.897 16.329 1.00 0.00 C ATOM 1872 O LYS A 119 5.341 -6.774 16.453 1.00 0.00 O ATOM 1873 CB LYS A 119 8.086 -7.333 14.308 1.00 0.00 C ATOM 1874 CG LYS A 119 8.696 -8.412 13.394 1.00 0.00 C ATOM 1875 CD LYS A 119 9.476 -7.821 12.213 1.00 0.00 C ATOM 1876 CE LYS A 119 9.683 -8.871 11.108 1.00 0.00 C ATOM 1877 NZ LYS A 119 8.436 -9.138 10.345 1.00 0.00 N ATOM 0 H LYS A 119 5.411 -8.078 14.192 1.00 0.00 H new ATOM 0 HA LYS A 119 7.750 -8.622 15.970 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.533 -6.615 13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.886 -6.783 14.804 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.361 -9.046 13.981 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.900 -9.052 13.014 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.937 -6.964 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.443 -7.455 12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.459 -8.527 10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.040 -9.799 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.628 -9.839 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.707 -9.507 10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.099 -8.255 9.911 1.00 0.00 H new ATOM 1891 N SER A 120 7.432 -6.196 17.055 1.00 0.00 N ATOM 1892 CA SER A 120 7.032 -5.269 18.113 1.00 0.00 C ATOM 1893 C SER A 120 6.214 -4.090 17.565 1.00 0.00 C ATOM 1894 O SER A 120 6.338 -3.743 16.387 1.00 0.00 O ATOM 1895 CB SER A 120 8.303 -4.768 18.818 1.00 0.00 C ATOM 1896 OG SER A 120 9.157 -5.856 19.151 1.00 0.00 O ATOM 0 H SER A 120 8.442 -6.256 16.925 1.00 0.00 H new ATOM 0 HA SER A 120 6.387 -5.791 18.819 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.832 -4.069 18.170 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.032 -4.222 19.722 1.00 0.00 H new ATOM 0 HG SER A 120 9.961 -5.516 19.597 1.00 0.00 H new ATOM 1902 N ARG A 121 5.444 -3.416 18.433 1.00 0.00 N ATOM 1903 CA ARG A 121 4.653 -2.234 18.056 1.00 0.00 C ATOM 1904 C ARG A 121 5.526 -1.125 17.463 1.00 0.00 C ATOM 1905 O ARG A 121 5.071 -0.410 16.576 1.00 0.00 O ATOM 1906 CB ARG A 121 3.855 -1.731 19.277 1.00 0.00 C ATOM 1907 CG ARG A 121 2.801 -0.667 18.920 1.00 0.00 C ATOM 1908 CD ARG A 121 2.035 -0.219 20.173 1.00 0.00 C ATOM 1909 NE ARG A 121 0.912 0.684 19.853 1.00 0.00 N ATOM 1910 CZ ARG A 121 0.973 2.015 19.708 1.00 0.00 C ATOM 1911 NH1 ARG A 121 2.120 2.680 19.772 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -0.122 2.732 19.488 1.00 0.00 N ATOM 0 H ARG A 121 5.352 -3.675 19.415 1.00 0.00 H new ATOM 0 HA ARG A 121 3.953 -2.527 17.274 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.360 -2.578 19.752 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.548 -1.315 20.009 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.287 0.193 18.458 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.103 -1.071 18.186 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.655 -1.096 20.696 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.721 0.285 20.854 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.003 0.251 19.730 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.992 2.178 19.936 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.129 3.693 19.657 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.030 2.271 19.427 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.056 3.744 19.380 1.00 0.00 H new ATOM 1926 N GLU A 122 6.784 -1.012 17.897 1.00 0.00 N ATOM 1927 CA GLU A 122 7.732 -0.051 17.335 1.00 0.00 C ATOM 1928 C GLU A 122 7.907 -0.269 15.821 1.00 0.00 C ATOM 1929 O GLU A 122 8.037 0.696 15.069 1.00 0.00 O ATOM 1930 CB GLU A 122 9.069 -0.192 18.083 1.00 0.00 C ATOM 1931 CG GLU A 122 10.081 0.926 17.785 1.00 0.00 C ATOM 1932 CD GLU A 122 9.648 2.285 18.368 1.00 0.00 C ATOM 1933 OE1 GLU A 122 9.873 2.533 19.574 1.00 0.00 O ATOM 1934 OE2 GLU A 122 9.100 3.128 17.624 1.00 0.00 O ATOM 0 H GLU A 122 7.172 -1.584 18.647 1.00 0.00 H new ATOM 0 HA GLU A 122 7.351 0.962 17.463 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.872 -0.212 19.155 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.518 -1.151 17.824 1.00 0.00 H new ATOM 0 HG2 GLU A 122 11.053 0.651 18.196 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.206 1.020 16.706 1.00 0.00 H new ATOM 1941 N THR A 123 7.850 -1.520 15.356 1.00 0.00 N ATOM 1942 CA THR A 123 7.943 -1.835 13.933 1.00 0.00 C ATOM 1943 C THR A 123 6.707 -1.302 13.205 1.00 0.00 C ATOM 1944 O THR A 123 6.838 -0.684 12.150 1.00 0.00 O ATOM 1945 CB THR A 123 8.095 -3.355 13.702 1.00 0.00 C ATOM 1946 OG1 THR A 123 8.623 -4.029 14.831 1.00 0.00 O ATOM 1947 CG2 THR A 123 9.009 -3.633 12.506 1.00 0.00 C ATOM 0 H THR A 123 7.738 -2.338 15.955 1.00 0.00 H new ATOM 0 HA THR A 123 8.833 -1.351 13.531 1.00 0.00 H new ATOM 0 HB THR A 123 7.090 -3.732 13.512 1.00 0.00 H new ATOM 0 HG1 THR A 123 7.910 -4.174 15.488 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.102 -4.709 12.362 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.583 -3.182 11.610 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.994 -3.206 12.694 1.00 0.00 H new ATOM 1955 N PHE A 124 5.509 -1.492 13.774 1.00 0.00 N ATOM 1956 CA PHE A 124 4.281 -0.960 13.193 1.00 0.00 C ATOM 1957 C PHE A 124 4.330 0.571 13.160 1.00 0.00 C ATOM 1958 O PHE A 124 3.910 1.158 12.167 1.00 0.00 O ATOM 1959 CB PHE A 124 3.047 -1.458 13.963 1.00 0.00 C ATOM 1960 CG PHE A 124 2.707 -2.921 13.752 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.303 -3.915 14.552 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.788 -3.295 12.753 1.00 0.00 C ATOM 1963 CE1 PHE A 124 2.981 -5.269 14.354 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.463 -4.651 12.563 1.00 0.00 C ATOM 1965 CZ PHE A 124 2.060 -5.638 13.361 1.00 0.00 C ATOM 0 H PHE A 124 5.370 -2.013 14.640 1.00 0.00 H new ATOM 0 HA PHE A 124 4.198 -1.323 12.168 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.209 -1.288 15.027 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.187 -0.855 13.671 1.00 0.00 H new ATOM 0 HD1 PHE A 124 4.009 -3.636 15.320 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.331 -2.539 12.131 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.444 -6.028 14.968 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.752 -4.932 11.801 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.812 -6.678 13.212 1.00 0.00 H new ATOM 1975 N ALA A 125 4.866 1.223 14.196 1.00 0.00 N ATOM 1976 CA ALA A 125 5.008 2.677 14.234 1.00 0.00 C ATOM 1977 C ALA A 125 5.979 3.171 13.156 1.00 0.00 C ATOM 1978 O ALA A 125 5.671 4.136 12.453 1.00 0.00 O ATOM 1979 CB ALA A 125 5.457 3.118 15.631 1.00 0.00 C ATOM 0 H ALA A 125 5.214 0.754 15.032 1.00 0.00 H new ATOM 0 HA ALA A 125 4.038 3.127 14.021 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.561 4.203 15.654 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.714 2.809 16.366 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.415 2.656 15.868 1.00 0.00 H new ATOM 1985 N ALA A 126 7.127 2.507 12.987 1.00 0.00 N ATOM 1986 CA ALA A 126 8.094 2.850 11.949 1.00 0.00 C ATOM 1987 C ALA A 126 7.464 2.692 10.563 1.00 0.00 C ATOM 1988 O ALA A 126 7.556 3.603 9.738 1.00 0.00 O ATOM 1989 CB ALA A 126 9.342 1.970 12.091 1.00 0.00 C ATOM 0 H ALA A 126 7.408 1.717 13.568 1.00 0.00 H new ATOM 0 HA ALA A 126 8.392 3.892 12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.061 2.230 11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.792 2.132 13.070 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.061 0.922 11.990 1.00 0.00 H new ATOM 1995 N VAL A 127 6.786 1.567 10.325 1.00 0.00 N ATOM 1996 CA VAL A 127 6.105 1.305 9.064 1.00 0.00 C ATOM 1997 C VAL A 127 5.021 2.359 8.831 1.00 0.00 C ATOM 1998 O VAL A 127 4.988 2.926 7.743 1.00 0.00 O ATOM 1999 CB VAL A 127 5.590 -0.151 9.057 1.00 0.00 C ATOM 2000 CG1 VAL A 127 4.593 -0.450 7.929 1.00 0.00 C ATOM 2001 CG2 VAL A 127 6.791 -1.098 8.902 1.00 0.00 C ATOM 0 H VAL A 127 6.696 0.813 11.006 1.00 0.00 H new ATOM 0 HA VAL A 127 6.789 1.393 8.220 1.00 0.00 H new ATOM 0 HB VAL A 127 5.063 -0.301 9.999 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.277 -1.491 7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.724 0.200 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.070 -0.271 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.442 -2.131 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.305 -0.883 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.479 -0.953 9.735 1.00 0.00 H new ATOM 2011 N TYR A 128 4.195 2.692 9.828 1.00 0.00 N ATOM 2012 CA TYR A 128 3.182 3.732 9.689 1.00 0.00 C ATOM 2013 C TYR A 128 3.835 5.056 9.291 1.00 0.00 C ATOM 2014 O TYR A 128 3.358 5.716 8.373 1.00 0.00 O ATOM 2015 CB TYR A 128 2.372 3.883 10.988 1.00 0.00 C ATOM 2016 CG TYR A 128 1.255 4.912 10.893 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.553 6.289 10.954 1.00 0.00 C ATOM 2018 CD2 TYR A 128 -0.077 4.500 10.691 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.545 7.247 10.753 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -1.098 5.453 10.528 1.00 0.00 C ATOM 2021 CZ TYR A 128 -0.789 6.834 10.550 1.00 0.00 C ATOM 2022 OH TYR A 128 -1.767 7.768 10.378 1.00 0.00 O ATOM 0 H TYR A 128 4.213 2.249 10.747 1.00 0.00 H new ATOM 0 HA TYR A 128 2.490 3.440 8.899 1.00 0.00 H new ATOM 0 HB2 TYR A 128 1.943 2.917 11.253 1.00 0.00 H new ATOM 0 HB3 TYR A 128 3.047 4.165 11.796 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.564 6.610 11.157 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.315 3.447 10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.791 8.299 10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.119 5.131 10.386 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.629 7.319 10.249 1.00 0.00 H new ATOM 2032 N THR A 129 4.931 5.440 9.949 1.00 0.00 N ATOM 2033 CA THR A 129 5.593 6.714 9.689 1.00 0.00 C ATOM 2034 C THR A 129 6.130 6.751 8.250 1.00 0.00 C ATOM 2035 O THR A 129 5.918 7.730 7.532 1.00 0.00 O ATOM 2036 CB THR A 129 6.698 6.931 10.742 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.168 6.806 12.051 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.335 8.320 10.635 1.00 0.00 C ATOM 0 H THR A 129 5.380 4.878 10.672 1.00 0.00 H new ATOM 0 HA THR A 129 4.882 7.536 9.777 1.00 0.00 H new ATOM 0 HB THR A 129 7.455 6.170 10.551 1.00 0.00 H new ATOM 0 HG1 THR A 129 6.108 5.858 12.290 1.00 0.00 H new ATOM 0 HG21 THR A 129 8.107 8.426 11.397 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.780 8.441 9.648 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.571 9.083 10.784 1.00 0.00 H new ATOM 2046 N LEU A 130 6.787 5.682 7.796 1.00 0.00 N ATOM 2047 CA LEU A 130 7.339 5.612 6.447 1.00 0.00 C ATOM 2048 C LEU A 130 6.222 5.558 5.396 1.00 0.00 C ATOM 2049 O LEU A 130 6.328 6.195 4.345 1.00 0.00 O ATOM 2050 CB LEU A 130 8.271 4.394 6.377 1.00 0.00 C ATOM 2051 CG LEU A 130 8.922 4.149 5.005 1.00 0.00 C ATOM 2052 CD1 LEU A 130 9.705 5.344 4.458 1.00 0.00 C ATOM 2053 CD2 LEU A 130 9.866 2.955 5.131 1.00 0.00 C ATOM 0 H LEU A 130 6.950 4.844 8.354 1.00 0.00 H new ATOM 0 HA LEU A 130 7.914 6.511 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.060 4.516 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.705 3.506 6.657 1.00 0.00 H new ATOM 0 HG LEU A 130 8.112 3.967 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.131 5.087 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.036 6.197 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.507 5.601 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 130 10.340 2.763 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.632 3.174 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.301 2.075 5.440 1.00 0.00 H new ATOM 2065 N LEU A 131 5.127 4.847 5.680 1.00 0.00 N ATOM 2066 CA LEU A 131 3.949 4.825 4.820 1.00 0.00 C ATOM 2067 C LEU A 131 3.298 6.205 4.770 1.00 0.00 C ATOM 2068 O LEU A 131 2.826 6.596 3.708 1.00 0.00 O ATOM 2069 CB LEU A 131 2.925 3.780 5.303 1.00 0.00 C ATOM 2070 CG LEU A 131 3.321 2.315 5.032 1.00 0.00 C ATOM 2071 CD1 LEU A 131 2.287 1.372 5.651 1.00 0.00 C ATOM 2072 CD2 LEU A 131 3.407 2.021 3.534 1.00 0.00 C ATOM 0 H LEU A 131 5.036 4.270 6.516 1.00 0.00 H new ATOM 0 HA LEU A 131 4.275 4.548 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.773 3.909 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.968 3.979 4.820 1.00 0.00 H new ATOM 0 HG LEU A 131 4.302 2.156 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.574 0.339 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.241 1.538 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.308 1.566 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.689 0.979 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.438 2.206 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.156 2.669 3.079 1.00 0.00 H new ATOM 2084 N GLU A 132 3.279 6.954 5.875 1.00 0.00 N ATOM 2085 CA GLU A 132 2.730 8.304 5.907 1.00 0.00 C ATOM 2086 C GLU A 132 3.555 9.224 5.008 1.00 0.00 C ATOM 2087 O GLU A 132 2.977 9.933 4.185 1.00 0.00 O ATOM 2088 CB GLU A 132 2.652 8.806 7.358 1.00 0.00 C ATOM 2089 CG GLU A 132 2.078 10.223 7.445 1.00 0.00 C ATOM 2090 CD GLU A 132 1.907 10.670 8.905 1.00 0.00 C ATOM 2091 OE1 GLU A 132 2.893 11.121 9.532 1.00 0.00 O ATOM 2092 OE2 GLU A 132 0.767 10.603 9.417 1.00 0.00 O ATOM 0 H GLU A 132 3.646 6.637 6.773 1.00 0.00 H new ATOM 0 HA GLU A 132 1.713 8.301 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.032 8.127 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.648 8.790 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.738 10.917 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.114 10.259 6.937 1.00 0.00 H new ATOM 2099 N ARG A 133 4.891 9.171 5.092 1.00 0.00 N ATOM 2100 CA ARG A 133 5.748 9.922 4.164 1.00 0.00 C ATOM 2101 C ARG A 133 5.427 9.540 2.724 1.00 0.00 C ATOM 2102 O ARG A 133 5.221 10.420 1.889 1.00 0.00 O ATOM 2103 CB ARG A 133 7.248 9.700 4.433 1.00 0.00 C ATOM 2104 CG ARG A 133 7.701 10.229 5.799 1.00 0.00 C ATOM 2105 CD ARG A 133 9.193 10.595 5.819 1.00 0.00 C ATOM 2106 NE ARG A 133 10.081 9.452 5.533 1.00 0.00 N ATOM 2107 CZ ARG A 133 10.739 8.706 6.425 1.00 0.00 C ATOM 2108 NH1 ARG A 133 10.511 8.821 7.733 1.00 0.00 N ATOM 2109 NH2 ARG A 133 11.638 7.847 5.971 1.00 0.00 N ATOM 0 H ARG A 133 5.398 8.622 5.786 1.00 0.00 H new ATOM 0 HA ARG A 133 5.538 10.979 4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.468 8.634 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.827 10.190 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.111 11.107 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 133 7.504 9.475 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.377 11.380 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.446 11.006 6.796 1.00 0.00 H new ATOM 0 HE ARG A 133 10.206 9.205 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 133 9.821 9.490 8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.027 8.240 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.810 7.771 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.159 7.261 6.624 1.00 0.00 H new ATOM 2123 N SER A 134 5.347 8.242 2.442 1.00 0.00 N ATOM 2124 CA SER A 134 5.080 7.738 1.103 1.00 0.00 C ATOM 2125 C SER A 134 3.747 8.296 0.595 1.00 0.00 C ATOM 2126 O SER A 134 3.697 8.899 -0.477 1.00 0.00 O ATOM 2127 CB SER A 134 5.089 6.203 1.120 1.00 0.00 C ATOM 2128 OG SER A 134 6.309 5.704 1.646 1.00 0.00 O ATOM 0 H SER A 134 5.467 7.509 3.141 1.00 0.00 H new ATOM 0 HA SER A 134 5.859 8.069 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.255 5.838 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 134 4.944 5.824 0.108 1.00 0.00 H new ATOM 0 HG SER A 134 6.275 5.723 2.625 1.00 0.00 H new ATOM 2134 N ALA A 135 2.686 8.172 1.396 1.00 0.00 N ATOM 2135 CA ALA A 135 1.352 8.619 1.024 1.00 0.00 C ATOM 2136 C ALA A 135 1.287 10.136 0.845 1.00 0.00 C ATOM 2137 O ALA A 135 0.605 10.606 -0.066 1.00 0.00 O ATOM 2138 CB ALA A 135 0.349 8.174 2.092 1.00 0.00 C ATOM 0 H ALA A 135 2.734 7.755 2.326 1.00 0.00 H new ATOM 0 HA ALA A 135 1.101 8.166 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.651 8.508 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.359 7.087 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.623 8.610 3.053 1.00 0.00 H new ATOM 2144 N ARG A 136 1.994 10.909 1.680 1.00 0.00 N ATOM 2145 CA ARG A 136 2.004 12.362 1.569 1.00 0.00 C ATOM 2146 C ARG A 136 2.677 12.740 0.260 1.00 0.00 C ATOM 2147 O ARG A 136 2.161 13.580 -0.472 1.00 0.00 O ATOM 2148 CB ARG A 136 2.747 12.966 2.774 1.00 0.00 C ATOM 2149 CG ARG A 136 2.765 14.502 2.732 1.00 0.00 C ATOM 2150 CD ARG A 136 3.717 15.059 3.796 1.00 0.00 C ATOM 2151 NE ARG A 136 3.825 16.525 3.707 1.00 0.00 N ATOM 2152 CZ ARG A 136 4.592 17.217 2.851 1.00 0.00 C ATOM 2153 NH1 ARG A 136 5.341 16.598 1.940 1.00 0.00 N ATOM 2154 NH2 ARG A 136 4.602 18.544 2.910 1.00 0.00 N ATOM 0 H ARG A 136 2.567 10.544 2.441 1.00 0.00 H new ATOM 0 HA ARG A 136 0.988 12.756 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.270 12.635 3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.771 12.592 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.077 14.841 1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.759 14.888 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.361 14.779 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.704 14.612 3.673 1.00 0.00 H new ATOM 0 HE ARG A 136 3.261 17.068 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.338 15.580 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 136 5.917 17.142 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.030 19.028 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.182 19.079 2.263 1.00 0.00 H new ATOM 2168 N GLN A 137 3.808 12.116 -0.052 1.00 0.00 N ATOM 2169 CA GLN A 137 4.568 12.441 -1.240 1.00 0.00 C ATOM 2170 C GLN A 137 3.789 12.026 -2.495 1.00 0.00 C ATOM 2171 O GLN A 137 3.751 12.802 -3.450 1.00 0.00 O ATOM 2172 CB GLN A 137 5.955 11.796 -1.146 1.00 0.00 C ATOM 2173 CG GLN A 137 6.995 12.639 -0.382 1.00 0.00 C ATOM 2174 CD GLN A 137 6.648 13.080 1.048 1.00 0.00 C ATOM 2175 OE1 GLN A 137 5.754 13.894 1.279 1.00 0.00 O ATOM 2176 NE2 GLN A 137 7.403 12.636 2.039 1.00 0.00 N ATOM 0 H GLN A 137 4.218 11.373 0.514 1.00 0.00 H new ATOM 0 HA GLN A 137 4.718 13.518 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.860 10.827 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.325 11.609 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.923 12.069 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 137 7.197 13.535 -0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 137 8.145 11.961 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.243 12.968 2.990 1.00 0.00 H new ATOM 2185 N TRP A 138 3.098 10.878 -2.481 1.00 0.00 N ATOM 2186 CA TRP A 138 2.163 10.527 -3.548 1.00 0.00 C ATOM 2187 C TRP A 138 1.095 11.608 -3.693 1.00 0.00 C ATOM 2188 O TRP A 138 0.868 12.079 -4.804 1.00 0.00 O ATOM 2189 CB TRP A 138 1.521 9.146 -3.321 1.00 0.00 C ATOM 2190 CG TRP A 138 2.294 8.011 -3.916 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.196 7.242 -3.271 1.00 0.00 C ATOM 2192 CD2 TRP A 138 2.283 7.526 -5.295 1.00 0.00 C ATOM 2193 NE1 TRP A 138 3.795 6.379 -4.160 1.00 0.00 N ATOM 2194 CE2 TRP A 138 3.254 6.487 -5.420 1.00 0.00 C ATOM 2195 CE3 TRP A 138 1.567 7.878 -6.460 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 3.509 5.836 -6.636 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 1.806 7.224 -7.685 1.00 0.00 C ATOM 2198 CH2 TRP A 138 2.776 6.210 -7.775 1.00 0.00 C ATOM 0 H TRP A 138 3.172 10.180 -1.741 1.00 0.00 H new ATOM 0 HA TRP A 138 2.729 10.466 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.415 8.978 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.517 9.150 -3.744 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.415 7.296 -2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 138 4.549 5.737 -3.914 1.00 0.00 H new ATOM 0 HE3 TRP A 138 0.825 8.661 -6.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 4.257 5.059 -6.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 1.240 7.504 -8.561 1.00 0.00 H new ATOM 0 HH2 TRP A 138 2.958 5.719 -8.719 1.00 0.00 H new ATOM 2209 N ALA A 139 0.470 12.045 -2.596 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.574 13.057 -2.655 1.00 0.00 C ATOM 2211 C ALA A 139 -0.048 14.380 -3.219 1.00 0.00 C ATOM 2212 O ALA A 139 -0.717 14.998 -4.046 1.00 0.00 O ATOM 2213 CB ALA A 139 -1.184 13.258 -1.268 1.00 0.00 C ATOM 0 H ALA A 139 0.674 11.708 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.350 12.705 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.965 14.017 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.614 12.319 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.409 13.582 -0.573 1.00 0.00 H new ATOM 2219 N GLN A 140 1.151 14.811 -2.818 1.00 0.00 N ATOM 2220 CA GLN A 140 1.774 16.009 -3.367 1.00 0.00 C ATOM 2221 C GLN A 140 2.012 15.847 -4.866 1.00 0.00 C ATOM 2222 O GLN A 140 1.732 16.773 -5.623 1.00 0.00 O ATOM 2223 CB GLN A 140 3.100 16.321 -2.652 1.00 0.00 C ATOM 2224 CG GLN A 140 2.918 16.883 -1.236 1.00 0.00 C ATOM 2225 CD GLN A 140 2.181 18.224 -1.219 1.00 0.00 C ATOM 2226 OE1 GLN A 140 1.034 18.317 -0.792 1.00 0.00 O ATOM 2227 NE2 GLN A 140 2.810 19.288 -1.695 1.00 0.00 N ATOM 0 H GLN A 140 1.711 14.340 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 140 1.093 16.845 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.697 15.411 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.665 17.038 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.366 16.163 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 140 3.896 17.005 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.763 19.202 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 140 2.341 20.194 -1.709 1.00 0.00 H new ATOM 2236 N ALA A 141 2.491 14.686 -5.316 1.00 0.00 N ATOM 2237 CA ALA A 141 2.794 14.469 -6.722 1.00 0.00 C ATOM 2238 C ALA A 141 1.517 14.423 -7.564 1.00 0.00 C ATOM 2239 O ALA A 141 1.495 14.936 -8.683 1.00 0.00 O ATOM 2240 CB ALA A 141 3.590 13.174 -6.867 1.00 0.00 C ATOM 0 H ALA A 141 2.677 13.880 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 141 3.391 15.303 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.821 13.005 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.518 13.252 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 141 3.001 12.340 -6.486 1.00 0.00 H new ATOM 2246 N LEU A 142 0.452 13.807 -7.049 1.00 0.00 N ATOM 2247 CA LEU A 142 -0.856 13.795 -7.700 1.00 0.00 C ATOM 2248 C LEU A 142 -1.428 15.215 -7.764 1.00 0.00 C ATOM 2249 O LEU A 142 -1.921 15.621 -8.815 1.00 0.00 O ATOM 2250 CB LEU A 142 -1.819 12.848 -6.961 1.00 0.00 C ATOM 2251 CG LEU A 142 -1.457 11.350 -7.067 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -2.373 10.529 -6.152 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -1.548 10.810 -8.499 1.00 0.00 C ATOM 0 H LEU A 142 0.474 13.300 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.737 13.426 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.846 13.128 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -2.825 12.994 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 142 -0.417 11.254 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -2.114 9.473 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -2.247 10.858 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.411 10.671 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -1.282 9.753 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.566 10.931 -8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.861 11.362 -9.140 1.00 0.00 H new