USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 430 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 105 THR OG1 : rot -150:sc= -1.14! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.55! C(o=-4.7!,f=-7.4!) USER MOD Single : A 64 ASN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD Single : A 70 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 72 TYR OH : rot 67:sc= -0.973! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00154 X(o=-0.0015,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= -2.4 (180deg=-6.71!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.102 USER MOD Single : A 104 THR OG1 : rot 127:sc= 0.984 USER MOD Single : A 114 ASN : amide:sc= -0.762 K(o=-0.76,f=-3.3!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 1.965 2.371 12.765 1.00 0.00 N ATOM 2 CA ASN A 64 2.360 1.975 11.416 1.00 0.00 C ATOM 3 C ASN A 64 1.490 2.683 10.396 1.00 0.00 C ATOM 4 O ASN A 64 1.235 2.157 9.312 1.00 0.00 O ATOM 5 CB ASN A 64 2.215 0.463 11.222 1.00 0.00 C ATOM 6 CG ASN A 64 3.440 -0.310 11.674 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.538 0.240 11.765 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.257 -1.594 11.952 1.00 0.00 N ATOM 0 HA ASN A 64 3.405 2.252 11.278 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.345 0.112 11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.027 0.253 10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.044 -2.167 12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.329 -2.008 11.863 1.00 0.00 H new ATOM 15 N LEU A 65 1.013 3.867 10.751 1.00 0.00 N ATOM 16 CA LEU A 65 0.152 4.613 9.862 1.00 0.00 C ATOM 17 C LEU A 65 0.941 5.383 8.825 1.00 0.00 C ATOM 18 O LEU A 65 2.016 5.919 9.091 1.00 0.00 O ATOM 19 CB LEU A 65 -0.754 5.564 10.634 1.00 0.00 C ATOM 20 CG LEU A 65 -1.486 6.578 9.774 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.349 5.865 8.749 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.323 7.514 10.632 1.00 0.00 C ATOM 0 H LEU A 65 1.209 4.324 11.642 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.468 3.881 9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.489 4.977 11.185 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.154 6.098 11.371 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.749 7.183 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.870 6.601 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.719 5.244 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.078 5.237 9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.838 8.231 9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.057 6.935 11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.675 8.048 11.327 1.00 0.00 H new ATOM 34 N VAL A 66 0.374 5.415 7.639 1.00 0.00 N ATOM 35 CA VAL A 66 0.968 6.097 6.506 1.00 0.00 C ATOM 36 C VAL A 66 0.015 7.116 5.897 1.00 0.00 C ATOM 37 O VAL A 66 -1.093 7.328 6.387 1.00 0.00 O ATOM 38 CB VAL A 66 1.351 5.097 5.416 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.657 4.403 5.753 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.237 4.081 5.200 1.00 0.00 C ATOM 0 H VAL A 66 -0.518 4.966 7.430 1.00 0.00 H new ATOM 0 HA VAL A 66 1.853 6.611 6.880 1.00 0.00 H new ATOM 0 HB VAL A 66 1.493 5.648 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.908 3.696 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.451 5.145 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.552 3.869 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.531 3.379 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.055 3.538 6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.674 4.598 4.898 1.00 0.00 H new ATOM 50 N ILE A 67 0.457 7.729 4.810 1.00 0.00 N ATOM 51 CA ILE A 67 -0.345 8.710 4.106 1.00 0.00 C ATOM 52 C ILE A 67 -0.060 8.664 2.610 1.00 0.00 C ATOM 53 O ILE A 67 1.091 8.735 2.178 1.00 0.00 O ATOM 54 CB ILE A 67 -0.134 10.137 4.670 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.376 10.536 5.453 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.149 11.146 3.565 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.426 11.988 5.874 1.00 0.00 C ATOM 0 H ILE A 67 1.374 7.561 4.396 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.393 8.454 4.264 1.00 0.00 H new ATOM 0 HB ILE A 67 0.738 10.133 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.255 10.318 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.441 9.912 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.291 12.134 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.051 10.854 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.693 11.173 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.347 12.175 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.570 12.212 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.397 12.624 4.990 1.00 0.00 H new ATOM 69 N ALA A 68 -1.122 8.522 1.830 1.00 0.00 N ATOM 70 CA ALA A 68 -1.005 8.438 0.378 1.00 0.00 C ATOM 71 C ALA A 68 -0.453 9.723 -0.225 1.00 0.00 C ATOM 72 O ALA A 68 -0.635 10.812 0.319 1.00 0.00 O ATOM 73 CB ALA A 68 -2.353 8.098 -0.242 1.00 0.00 C ATOM 0 H ALA A 68 -2.079 8.462 2.178 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.296 7.641 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.251 8.039 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.699 7.139 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.076 8.873 0.012 1.00 0.00 H new ATOM 79 N LEU A 69 0.219 9.580 -1.361 1.00 0.00 N ATOM 80 CA LEU A 69 0.804 10.714 -2.066 1.00 0.00 C ATOM 81 C LEU A 69 0.218 10.842 -3.472 1.00 0.00 C ATOM 82 O LEU A 69 0.755 11.563 -4.313 1.00 0.00 O ATOM 83 CB LEU A 69 2.320 10.542 -2.158 1.00 0.00 C ATOM 84 CG LEU A 69 3.064 10.663 -0.824 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.557 10.409 -1.006 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.833 12.039 -0.219 1.00 0.00 C ATOM 0 H LEU A 69 0.373 8.681 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 69 0.571 11.621 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.535 9.565 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.715 11.289 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 69 2.672 9.906 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.062 10.501 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.710 9.405 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.968 11.140 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.366 12.114 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.200 12.804 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.767 12.187 -0.048 1.00 0.00 H new ATOM 98 N HIS A 70 -0.875 10.126 -3.725 1.00 0.00 N ATOM 99 CA HIS A 70 -1.520 10.148 -5.033 1.00 0.00 C ATOM 100 C HIS A 70 -2.885 9.467 -4.972 1.00 0.00 C ATOM 101 O HIS A 70 -3.048 8.449 -4.301 1.00 0.00 O ATOM 102 CB HIS A 70 -0.641 9.450 -6.088 1.00 0.00 C ATOM 103 CG HIS A 70 0.556 8.731 -5.528 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.771 8.678 -6.176 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.721 8.044 -4.372 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.629 7.993 -5.444 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.020 7.598 -4.343 1.00 0.00 N ATOM 0 H HIS A 70 -1.332 9.524 -3.040 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.655 11.191 -5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.254 8.735 -6.637 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.298 10.194 -6.807 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.975 9.102 -7.081 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.030 7.878 -3.614 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.658 7.790 -5.703 1.00 0.00 H new ATOM 116 N SER A 71 -3.860 10.028 -5.682 1.00 0.00 N ATOM 117 CA SER A 71 -5.204 9.458 -5.708 1.00 0.00 C ATOM 118 C SER A 71 -5.155 8.010 -6.177 1.00 0.00 C ATOM 119 O SER A 71 -4.626 7.715 -7.249 1.00 0.00 O ATOM 120 CB SER A 71 -6.115 10.271 -6.627 1.00 0.00 C ATOM 121 OG SER A 71 -5.649 11.602 -6.765 1.00 0.00 O ATOM 0 H SER A 71 -3.746 10.872 -6.244 1.00 0.00 H new ATOM 0 HA SER A 71 -5.609 9.490 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.164 9.797 -7.607 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.128 10.278 -6.225 1.00 0.00 H new ATOM 0 HG SER A 71 -6.249 12.099 -7.359 1.00 0.00 H new ATOM 127 N TYR A 72 -5.689 7.108 -5.364 1.00 0.00 N ATOM 128 CA TYR A 72 -5.677 5.686 -5.707 1.00 0.00 C ATOM 129 C TYR A 72 -7.029 5.188 -6.202 1.00 0.00 C ATOM 130 O TYR A 72 -8.082 5.622 -5.734 1.00 0.00 O ATOM 131 CB TYR A 72 -5.249 4.842 -4.507 1.00 0.00 C ATOM 132 CG TYR A 72 -4.979 3.397 -4.862 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.173 3.062 -5.944 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.535 2.367 -4.118 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.932 1.743 -6.271 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.299 1.045 -4.439 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.498 0.739 -5.516 1.00 0.00 C ATOM 138 OH TYR A 72 -4.266 -0.575 -5.841 1.00 0.00 O ATOM 0 H TYR A 72 -6.132 7.328 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.958 5.577 -6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.351 5.276 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.028 4.883 -3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.728 3.847 -6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.164 2.603 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.303 1.499 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.740 0.256 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.321 -0.786 -5.693 1.00 0.00 H new ATOM 148 N GLU A 73 -6.975 4.250 -7.143 1.00 0.00 N ATOM 149 CA GLU A 73 -8.163 3.644 -7.710 1.00 0.00 C ATOM 150 C GLU A 73 -7.977 2.129 -7.812 1.00 0.00 C ATOM 151 O GLU A 73 -7.414 1.623 -8.783 1.00 0.00 O ATOM 152 CB GLU A 73 -8.444 4.232 -9.076 1.00 0.00 C ATOM 153 CG GLU A 73 -9.754 4.988 -9.148 1.00 0.00 C ATOM 154 CD GLU A 73 -9.893 5.802 -10.419 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.130 6.777 -10.584 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.762 5.463 -11.248 1.00 0.00 O ATOM 0 H GLU A 73 -6.102 3.892 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.013 3.851 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.630 4.904 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.455 3.429 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.581 4.281 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.833 5.651 -8.287 1.00 0.00 H new ATOM 163 N PRO A 74 -8.442 1.395 -6.793 1.00 0.00 N ATOM 164 CA PRO A 74 -8.342 -0.058 -6.713 1.00 0.00 C ATOM 165 C PRO A 74 -8.526 -0.751 -8.059 1.00 0.00 C ATOM 166 O PRO A 74 -9.523 -0.542 -8.749 1.00 0.00 O ATOM 167 CB PRO A 74 -9.472 -0.442 -5.742 1.00 0.00 C ATOM 168 CG PRO A 74 -10.085 0.847 -5.280 1.00 0.00 C ATOM 169 CD PRO A 74 -9.107 1.933 -5.620 1.00 0.00 C ATOM 0 HA PRO A 74 -7.351 -0.371 -6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.213 -1.070 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.083 -1.012 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.042 1.019 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.278 0.822 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.607 2.878 -5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.407 2.119 -4.805 1.00 0.00 H new ATOM 177 N SER A 75 -7.554 -1.586 -8.416 1.00 0.00 N ATOM 178 CA SER A 75 -7.596 -2.326 -9.670 1.00 0.00 C ATOM 179 C SER A 75 -7.473 -3.825 -9.414 1.00 0.00 C ATOM 180 O SER A 75 -8.174 -4.630 -10.025 1.00 0.00 O ATOM 181 CB SER A 75 -6.473 -1.860 -10.600 1.00 0.00 C ATOM 182 OG SER A 75 -6.927 -0.845 -11.480 1.00 0.00 O ATOM 0 H SER A 75 -6.725 -1.766 -7.850 1.00 0.00 H new ATOM 0 HA SER A 75 -8.556 -2.132 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.638 -1.485 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.100 -2.706 -11.177 1.00 0.00 H new ATOM 0 HG SER A 75 -6.191 -0.563 -12.062 1.00 0.00 H new ATOM 188 N HIS A 76 -6.578 -4.192 -8.499 1.00 0.00 N ATOM 189 CA HIS A 76 -6.366 -5.592 -8.155 1.00 0.00 C ATOM 190 C HIS A 76 -7.444 -6.080 -7.192 1.00 0.00 C ATOM 191 O HIS A 76 -8.093 -5.280 -6.517 1.00 0.00 O ATOM 192 CB HIS A 76 -4.980 -5.786 -7.531 1.00 0.00 C ATOM 193 CG HIS A 76 -3.912 -6.096 -8.533 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.882 -5.545 -9.797 1.00 0.00 N ATOM 195 CD2 HIS A 76 -2.829 -6.905 -8.453 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.827 -6.001 -10.449 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.172 -6.828 -9.655 1.00 0.00 N ATOM 0 H HIS A 76 -5.989 -3.538 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.426 -6.179 -9.071 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.705 -4.882 -6.987 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.029 -6.595 -6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.537 -7.501 -7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.548 -5.741 -11.460 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.316 -7.328 -9.896 1.00 0.00 H new ATOM 206 N ASP A 77 -7.633 -7.394 -7.133 1.00 0.00 N ATOM 207 CA ASP A 77 -8.636 -7.984 -6.253 1.00 0.00 C ATOM 208 C ASP A 77 -8.254 -7.795 -4.787 1.00 0.00 C ATOM 209 O ASP A 77 -7.082 -7.891 -4.423 1.00 0.00 O ATOM 210 CB ASP A 77 -8.801 -9.473 -6.561 1.00 0.00 C ATOM 211 CG ASP A 77 -9.973 -9.745 -7.485 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.027 -9.131 -8.571 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.835 -10.573 -7.123 1.00 0.00 O ATOM 0 H ASP A 77 -7.105 -8.071 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.584 -7.475 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.886 -9.850 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.941 -10.021 -5.629 1.00 0.00 H new ATOM 218 N GLY A 78 -9.253 -7.529 -3.949 1.00 0.00 N ATOM 219 CA GLY A 78 -9.001 -7.335 -2.533 1.00 0.00 C ATOM 220 C GLY A 78 -8.137 -6.122 -2.256 1.00 0.00 C ATOM 221 O GLY A 78 -7.274 -6.159 -1.379 1.00 0.00 O ATOM 0 H GLY A 78 -10.231 -7.445 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.951 -7.227 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.514 -8.223 -2.129 1.00 0.00 H new ATOM 225 N ASP A 79 -8.366 -5.045 -3.000 1.00 0.00 N ATOM 226 CA ASP A 79 -7.596 -3.822 -2.822 1.00 0.00 C ATOM 227 C ASP A 79 -8.431 -2.740 -2.148 1.00 0.00 C ATOM 228 O ASP A 79 -9.659 -2.745 -2.226 1.00 0.00 O ATOM 229 CB ASP A 79 -7.075 -3.315 -4.166 1.00 0.00 C ATOM 230 CG ASP A 79 -6.040 -4.242 -4.767 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.287 -5.467 -4.802 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.980 -3.745 -5.200 1.00 0.00 O ATOM 0 H ASP A 79 -9.077 -4.995 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.748 -4.055 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.909 -3.207 -4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.640 -2.324 -4.034 1.00 0.00 H new ATOM 237 N LEU A 80 -7.748 -1.811 -1.493 1.00 0.00 N ATOM 238 CA LEU A 80 -8.405 -0.711 -0.804 1.00 0.00 C ATOM 239 C LEU A 80 -8.116 0.603 -1.520 1.00 0.00 C ATOM 240 O LEU A 80 -6.963 0.923 -1.808 1.00 0.00 O ATOM 241 CB LEU A 80 -7.929 -0.645 0.657 1.00 0.00 C ATOM 242 CG LEU A 80 -7.963 0.739 1.312 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.390 1.135 1.667 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.082 0.760 2.549 1.00 0.00 C ATOM 0 H LEU A 80 -6.730 -1.799 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.482 -0.880 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.545 -1.321 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.907 -1.022 0.703 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.577 1.465 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.389 2.121 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.996 1.160 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.807 0.407 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.116 1.750 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.441 0.020 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.055 0.525 2.268 1.00 0.00 H new ATOM 256 N GLY A 81 -9.165 1.365 -1.798 1.00 0.00 N ATOM 257 CA GLY A 81 -8.990 2.636 -2.470 1.00 0.00 C ATOM 258 C GLY A 81 -8.897 3.786 -1.494 1.00 0.00 C ATOM 259 O GLY A 81 -9.587 3.805 -0.475 1.00 0.00 O ATOM 0 H GLY A 81 -10.130 1.127 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.086 2.603 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.825 2.804 -3.150 1.00 0.00 H new ATOM 263 N PHE A 82 -8.039 4.745 -1.804 1.00 0.00 N ATOM 264 CA PHE A 82 -7.849 5.904 -0.950 1.00 0.00 C ATOM 265 C PHE A 82 -7.584 7.145 -1.781 1.00 0.00 C ATOM 266 O PHE A 82 -7.483 7.078 -3.004 1.00 0.00 O ATOM 267 CB PHE A 82 -6.692 5.678 0.025 1.00 0.00 C ATOM 268 CG PHE A 82 -5.544 4.893 -0.556 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.685 3.548 -0.850 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.323 5.503 -0.804 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.633 2.826 -1.380 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.266 4.782 -1.336 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.424 3.443 -1.624 1.00 0.00 C ATOM 0 H PHE A 82 -7.461 4.742 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.766 6.050 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.322 6.646 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.068 5.155 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.629 3.057 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.195 6.552 -0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.758 1.777 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.320 5.268 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.603 2.878 -2.040 1.00 0.00 H new ATOM 283 N GLU A 83 -7.473 8.278 -1.106 1.00 0.00 N ATOM 284 CA GLU A 83 -7.221 9.537 -1.783 1.00 0.00 C ATOM 285 C GLU A 83 -5.795 10.009 -1.533 1.00 0.00 C ATOM 286 O GLU A 83 -5.080 9.443 -0.707 1.00 0.00 O ATOM 287 CB GLU A 83 -8.215 10.589 -1.296 1.00 0.00 C ATOM 288 CG GLU A 83 -9.292 10.922 -2.312 1.00 0.00 C ATOM 289 CD GLU A 83 -9.506 12.415 -2.471 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.014 13.046 -1.521 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.165 12.952 -3.546 1.00 0.00 O ATOM 0 H GLU A 83 -7.553 8.350 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.347 9.388 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.688 10.234 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.673 11.500 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.020 10.493 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.229 10.455 -2.008 1.00 0.00 H new ATOM 298 N LYS A 84 -5.388 11.056 -2.235 1.00 0.00 N ATOM 299 CA LYS A 84 -4.056 11.604 -2.056 1.00 0.00 C ATOM 300 C LYS A 84 -3.983 12.298 -0.701 1.00 0.00 C ATOM 301 O LYS A 84 -4.849 13.103 -0.358 1.00 0.00 O ATOM 302 CB LYS A 84 -3.715 12.563 -3.195 1.00 0.00 C ATOM 303 CG LYS A 84 -2.512 13.447 -2.910 1.00 0.00 C ATOM 304 CD LYS A 84 -2.425 14.604 -3.887 1.00 0.00 C ATOM 305 CE LYS A 84 -1.749 15.814 -3.261 1.00 0.00 C ATOM 306 NZ LYS A 84 -2.733 16.729 -2.619 1.00 0.00 N ATOM 0 H LYS A 84 -5.958 11.539 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.320 10.801 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.524 11.985 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.580 13.195 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.576 13.833 -1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.601 12.852 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.870 14.293 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.427 14.877 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.024 15.481 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.194 16.357 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.233 17.541 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.410 17.067 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.245 16.219 -1.871 1.00 0.00 H new ATOM 320 N GLY A 85 -2.972 11.948 0.083 1.00 0.00 N ATOM 321 CA GLY A 85 -2.838 12.513 1.415 1.00 0.00 C ATOM 322 C GLY A 85 -3.655 11.737 2.431 1.00 0.00 C ATOM 323 O GLY A 85 -3.468 11.894 3.637 1.00 0.00 O ATOM 0 H GLY A 85 -2.243 11.284 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.789 12.508 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.161 13.554 1.404 1.00 0.00 H new ATOM 327 N GLU A 86 -4.552 10.880 1.938 1.00 0.00 N ATOM 328 CA GLU A 86 -5.384 10.056 2.802 1.00 0.00 C ATOM 329 C GLU A 86 -4.511 9.258 3.749 1.00 0.00 C ATOM 330 O GLU A 86 -3.304 9.147 3.545 1.00 0.00 O ATOM 331 CB GLU A 86 -6.227 9.099 1.953 1.00 0.00 C ATOM 332 CG GLU A 86 -7.644 8.839 2.452 1.00 0.00 C ATOM 333 CD GLU A 86 -8.043 9.669 3.661 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.271 10.886 3.495 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.128 9.101 4.769 1.00 0.00 O ATOM 0 H GLU A 86 -4.717 10.742 0.941 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.044 10.703 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.287 9.499 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.704 8.145 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.345 9.039 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.740 7.783 2.703 1.00 0.00 H new ATOM 342 N GLN A 87 -5.121 8.696 4.776 1.00 0.00 N ATOM 343 CA GLN A 87 -4.379 7.906 5.743 1.00 0.00 C ATOM 344 C GLN A 87 -4.945 6.505 5.855 1.00 0.00 C ATOM 345 O GLN A 87 -6.148 6.282 5.725 1.00 0.00 O ATOM 346 CB GLN A 87 -4.377 8.578 7.112 1.00 0.00 C ATOM 347 CG GLN A 87 -4.127 10.073 7.047 1.00 0.00 C ATOM 348 CD GLN A 87 -4.951 10.849 8.055 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.886 11.563 7.692 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.607 10.715 9.332 1.00 0.00 N ATOM 0 H GLN A 87 -6.121 8.770 4.962 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.351 7.836 5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.336 8.398 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.611 8.115 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.069 10.268 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.356 10.432 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.825 10.113 9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.125 11.215 10.055 1.00 0.00 H new ATOM 359 N LEU A 88 -4.050 5.568 6.101 1.00 0.00 N ATOM 360 CA LEU A 88 -4.411 4.165 6.242 1.00 0.00 C ATOM 361 C LEU A 88 -3.508 3.493 7.252 1.00 0.00 C ATOM 362 O LEU A 88 -2.284 3.565 7.152 1.00 0.00 O ATOM 363 CB LEU A 88 -4.296 3.419 4.913 1.00 0.00 C ATOM 364 CG LEU A 88 -4.514 4.255 3.655 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.440 3.940 2.627 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.899 3.992 3.089 1.00 0.00 C ATOM 0 H LEU A 88 -3.053 5.754 6.209 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.447 4.130 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.306 2.967 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.019 2.604 4.913 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.443 5.312 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.604 4.542 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.459 4.169 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.485 2.883 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.045 4.593 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.995 2.936 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.652 4.258 3.831 1.00 0.00 H new ATOM 378 N ARG A 89 -4.114 2.821 8.207 1.00 0.00 N ATOM 379 CA ARG A 89 -3.366 2.119 9.215 1.00 0.00 C ATOM 380 C ARG A 89 -2.885 0.792 8.645 1.00 0.00 C ATOM 381 O ARG A 89 -3.658 -0.152 8.487 1.00 0.00 O ATOM 382 CB ARG A 89 -4.230 1.910 10.449 1.00 0.00 C ATOM 383 CG ARG A 89 -3.635 0.923 11.414 1.00 0.00 C ATOM 384 CD ARG A 89 -4.444 0.844 12.690 1.00 0.00 C ATOM 385 NE ARG A 89 -3.673 0.268 13.787 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.210 -0.400 14.806 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.525 -0.568 14.884 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.429 -0.899 15.755 1.00 0.00 N ATOM 0 H ARG A 89 -5.127 2.749 8.302 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.497 2.706 9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.372 2.865 10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.216 1.562 10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.590 -0.062 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.611 1.213 11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.782 1.842 12.968 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.336 0.242 12.518 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.660 0.384 13.772 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.132 -0.184 14.160 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.928 -1.081 15.668 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.418 -0.771 15.704 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.839 -1.411 16.536 1.00 0.00 H new ATOM 402 N ILE A 90 -1.608 0.749 8.310 1.00 0.00 N ATOM 403 CA ILE A 90 -1.005 -0.434 7.716 1.00 0.00 C ATOM 404 C ILE A 90 -1.133 -1.654 8.612 1.00 0.00 C ATOM 405 O ILE A 90 -0.515 -1.740 9.673 1.00 0.00 O ATOM 406 CB ILE A 90 0.482 -0.198 7.373 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.638 1.083 6.558 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.054 -1.377 6.607 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.005 1.013 5.185 1.00 0.00 C ATOM 0 H ILE A 90 -0.962 1.527 8.440 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.556 -0.627 6.795 1.00 0.00 H new ATOM 0 HB ILE A 90 1.035 -0.095 8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.194 1.911 7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.699 1.306 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.102 -1.187 6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.973 -2.279 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.498 -1.513 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.157 1.959 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.465 0.207 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.063 0.822 5.286 1.00 0.00 H new ATOM 421 N LEU A 91 -1.928 -2.605 8.146 1.00 0.00 N ATOM 422 CA LEU A 91 -2.145 -3.853 8.855 1.00 0.00 C ATOM 423 C LEU A 91 -0.966 -4.769 8.599 1.00 0.00 C ATOM 424 O LEU A 91 -0.384 -5.342 9.521 1.00 0.00 O ATOM 425 CB LEU A 91 -3.435 -4.496 8.357 1.00 0.00 C ATOM 426 CG LEU A 91 -4.621 -3.532 8.271 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.859 -4.218 7.722 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.907 -2.912 9.633 1.00 0.00 C ATOM 0 H LEU A 91 -2.440 -2.532 7.267 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.234 -3.672 9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.257 -4.925 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.698 -5.320 9.021 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.352 -2.736 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.681 -3.503 7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.651 -4.598 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.135 -5.046 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.753 -2.230 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.143 -3.699 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.030 -2.363 9.974 1.00 0.00 H new ATOM 440 N GLU A 92 -0.608 -4.870 7.330 1.00 0.00 N ATOM 441 CA GLU A 92 0.519 -5.676 6.909 1.00 0.00 C ATOM 442 C GLU A 92 1.253 -4.982 5.776 1.00 0.00 C ATOM 443 O GLU A 92 0.634 -4.448 4.858 1.00 0.00 O ATOM 444 CB GLU A 92 0.070 -7.070 6.488 1.00 0.00 C ATOM 445 CG GLU A 92 0.679 -8.156 7.351 1.00 0.00 C ATOM 446 CD GLU A 92 -0.356 -8.913 8.162 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.381 -9.323 7.580 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.140 -9.092 9.379 1.00 0.00 O ATOM 0 H GLU A 92 -1.091 -4.396 6.567 1.00 0.00 H new ATOM 0 HA GLU A 92 1.199 -5.790 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.017 -7.131 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.346 -7.239 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.220 -8.857 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.408 -7.710 8.027 1.00 0.00 H new ATOM 455 N GLN A 93 2.571 -4.964 5.856 1.00 0.00 N ATOM 456 CA GLN A 93 3.379 -4.304 4.845 1.00 0.00 C ATOM 457 C GLN A 93 4.360 -5.270 4.203 1.00 0.00 C ATOM 458 O GLN A 93 5.481 -4.899 3.853 1.00 0.00 O ATOM 459 CB GLN A 93 4.115 -3.121 5.458 1.00 0.00 C ATOM 460 CG GLN A 93 4.508 -3.368 6.884 1.00 0.00 C ATOM 461 CD GLN A 93 5.045 -2.132 7.578 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.312 -1.428 8.272 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.333 -1.862 7.394 1.00 0.00 N ATOM 0 H GLN A 93 3.105 -5.398 6.609 1.00 0.00 H new ATOM 0 HA GLN A 93 2.714 -3.941 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.008 -2.908 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.481 -2.236 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.643 -3.738 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.265 -4.152 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.904 -2.473 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.751 -1.043 7.837 1.00 0.00 H new ATOM 472 N SER A 94 3.919 -6.508 4.037 1.00 0.00 N ATOM 473 CA SER A 94 4.743 -7.533 3.420 1.00 0.00 C ATOM 474 C SER A 94 4.415 -7.635 1.936 1.00 0.00 C ATOM 475 O SER A 94 3.266 -7.869 1.559 1.00 0.00 O ATOM 476 CB SER A 94 4.521 -8.883 4.105 1.00 0.00 C ATOM 477 OG SER A 94 3.450 -8.819 5.031 1.00 0.00 O ATOM 0 H SER A 94 2.993 -6.826 4.322 1.00 0.00 H new ATOM 0 HA SER A 94 5.791 -7.258 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.311 -9.644 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.433 -9.187 4.620 1.00 0.00 H new ATOM 0 HG SER A 94 3.329 -9.695 5.453 1.00 0.00 H new ATOM 483 N GLY A 95 5.425 -7.446 1.099 1.00 0.00 N ATOM 484 CA GLY A 95 5.213 -7.507 -0.334 1.00 0.00 C ATOM 485 C GLY A 95 4.903 -6.159 -0.934 1.00 0.00 C ATOM 486 O GLY A 95 4.461 -5.242 -0.241 1.00 0.00 O ATOM 0 H GLY A 95 6.385 -7.252 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.103 -7.917 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.393 -8.192 -0.547 1.00 0.00 H new ATOM 490 N GLU A 96 5.132 -6.048 -2.233 1.00 0.00 N ATOM 491 CA GLU A 96 4.879 -4.818 -2.965 1.00 0.00 C ATOM 492 C GLU A 96 3.485 -4.257 -2.655 1.00 0.00 C ATOM 493 O GLU A 96 3.232 -3.069 -2.849 1.00 0.00 O ATOM 494 CB GLU A 96 5.040 -5.082 -4.459 1.00 0.00 C ATOM 495 CG GLU A 96 4.075 -4.299 -5.300 1.00 0.00 C ATOM 496 CD GLU A 96 4.340 -4.425 -6.787 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.471 -4.807 -7.158 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.419 -4.141 -7.581 1.00 0.00 O ATOM 0 H GLU A 96 5.498 -6.807 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 96 5.603 -4.066 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.058 -4.834 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.901 -6.146 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.061 -4.638 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.126 -3.248 -5.016 1.00 0.00 H new ATOM 505 N TRP A 97 2.584 -5.112 -2.178 1.00 0.00 N ATOM 506 CA TRP A 97 1.232 -4.682 -1.848 1.00 0.00 C ATOM 507 C TRP A 97 0.995 -4.754 -0.342 1.00 0.00 C ATOM 508 O TRP A 97 0.925 -5.840 0.234 1.00 0.00 O ATOM 509 CB TRP A 97 0.216 -5.543 -2.596 1.00 0.00 C ATOM 510 CG TRP A 97 0.077 -5.149 -4.034 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.815 -5.610 -5.087 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.845 -4.198 -4.576 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.411 -5.000 -6.249 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.608 -4.129 -5.961 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.849 -3.401 -4.024 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.336 -3.289 -6.799 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.571 -2.569 -4.855 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.312 -2.517 -6.230 1.00 0.00 C ATOM 0 H TRP A 97 2.766 -6.102 -2.013 1.00 0.00 H new ATOM 0 HA TRP A 97 1.109 -3.644 -2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.518 -6.589 -2.537 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.754 -5.463 -2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.601 -6.347 -5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.805 -5.167 -7.175 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.057 -3.435 -2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.138 -3.248 -7.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.349 -1.947 -4.438 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.894 -1.855 -6.854 1.00 0.00 H new ATOM 529 N TRP A 98 0.891 -3.588 0.293 1.00 0.00 N ATOM 530 CA TRP A 98 0.683 -3.516 1.736 1.00 0.00 C ATOM 531 C TRP A 98 -0.793 -3.469 2.102 1.00 0.00 C ATOM 532 O TRP A 98 -1.585 -2.771 1.469 1.00 0.00 O ATOM 533 CB TRP A 98 1.372 -2.283 2.316 1.00 0.00 C ATOM 534 CG TRP A 98 2.865 -2.373 2.310 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.627 -3.390 1.817 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.773 -1.406 2.833 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.960 -3.113 2.006 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.075 -1.896 2.625 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.605 -0.174 3.456 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.207 -1.185 3.022 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.723 0.533 3.850 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.012 0.027 3.630 1.00 0.00 C ATOM 0 H TRP A 98 0.948 -2.681 -0.170 1.00 0.00 H new ATOM 0 HA TRP A 98 1.116 -4.423 2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.067 -1.405 1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.029 -2.134 3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.240 -4.282 1.347 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.736 -3.715 1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.616 0.223 3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.200 -1.575 2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.603 1.490 4.335 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.868 0.604 3.946 1.00 0.00 H new ATOM 553 N LYS A 99 -1.144 -4.193 3.156 1.00 0.00 N ATOM 554 CA LYS A 99 -2.507 -4.217 3.655 1.00 0.00 C ATOM 555 C LYS A 99 -2.712 -3.051 4.608 1.00 0.00 C ATOM 556 O LYS A 99 -2.090 -2.998 5.668 1.00 0.00 O ATOM 557 CB LYS A 99 -2.790 -5.534 4.382 1.00 0.00 C ATOM 558 CG LYS A 99 -4.164 -5.599 5.032 1.00 0.00 C ATOM 559 CD LYS A 99 -5.206 -4.892 4.196 1.00 0.00 C ATOM 560 CE LYS A 99 -6.610 -5.331 4.571 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.301 -6.015 3.444 1.00 0.00 N ATOM 0 H LYS A 99 -0.495 -4.776 3.684 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.194 -4.132 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.696 -6.356 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.029 -5.685 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.453 -6.641 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.121 -5.145 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.112 -3.814 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.029 -5.098 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.563 -6.003 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.191 -4.462 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.242 -5.594 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.741 -5.903 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.403 -7.027 3.662 1.00 0.00 H new ATOM 575 N ALA A 100 -3.566 -2.111 4.233 1.00 0.00 N ATOM 576 CA ALA A 100 -3.816 -0.951 5.075 1.00 0.00 C ATOM 577 C ALA A 100 -5.269 -0.857 5.484 1.00 0.00 C ATOM 578 O ALA A 100 -6.168 -1.164 4.702 1.00 0.00 O ATOM 579 CB ALA A 100 -3.406 0.330 4.364 1.00 0.00 C ATOM 0 H ALA A 100 -4.093 -2.127 3.360 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.213 -1.075 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.602 1.184 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.343 0.290 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.979 0.434 3.443 1.00 0.00 H new ATOM 585 N GLN A 101 -5.496 -0.389 6.700 1.00 0.00 N ATOM 586 CA GLN A 101 -6.841 -0.205 7.192 1.00 0.00 C ATOM 587 C GLN A 101 -7.106 1.279 7.290 1.00 0.00 C ATOM 588 O GLN A 101 -6.527 1.971 8.127 1.00 0.00 O ATOM 589 CB GLN A 101 -7.046 -0.875 8.548 1.00 0.00 C ATOM 590 CG GLN A 101 -8.380 -0.548 9.177 1.00 0.00 C ATOM 591 CD GLN A 101 -8.436 -0.886 10.652 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.942 -1.938 11.044 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.915 0.010 11.483 1.00 0.00 N ATOM 0 H GLN A 101 -4.763 -0.131 7.361 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.542 -0.674 6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.963 -1.955 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.248 -0.566 9.223 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.587 0.514 9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.166 -1.094 8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.506 0.869 11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.924 -0.161 12.489 1.00 0.00 H new ATOM 602 N SER A 102 -7.975 1.768 6.427 1.00 0.00 N ATOM 603 CA SER A 102 -8.308 3.172 6.406 1.00 0.00 C ATOM 604 C SER A 102 -8.644 3.653 7.810 1.00 0.00 C ATOM 605 O SER A 102 -8.796 2.849 8.729 1.00 0.00 O ATOM 606 CB SER A 102 -9.473 3.389 5.452 1.00 0.00 C ATOM 607 OG SER A 102 -9.065 4.098 4.295 1.00 0.00 O ATOM 0 H SER A 102 -8.464 1.207 5.729 1.00 0.00 H new ATOM 0 HA SER A 102 -7.455 3.753 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.893 2.426 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.264 3.941 5.960 1.00 0.00 H new ATOM 0 HG SER A 102 -9.833 4.222 3.699 1.00 0.00 H new ATOM 613 N LEU A 103 -8.727 4.958 7.985 1.00 0.00 N ATOM 614 CA LEU A 103 -9.018 5.514 9.299 1.00 0.00 C ATOM 615 C LEU A 103 -10.212 6.454 9.268 1.00 0.00 C ATOM 616 O LEU A 103 -10.885 6.651 10.279 1.00 0.00 O ATOM 617 CB LEU A 103 -7.783 6.206 9.842 1.00 0.00 C ATOM 618 CG LEU A 103 -6.699 5.228 10.299 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.662 5.059 9.209 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.050 5.673 11.599 1.00 0.00 C ATOM 0 H LEU A 103 -8.599 5.649 7.245 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.288 4.695 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.373 6.860 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.069 6.840 10.681 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.173 4.265 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.894 4.361 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.140 4.670 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.205 6.024 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.286 4.952 11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.591 6.652 11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.807 5.735 12.381 1.00 0.00 H new ATOM 632 N THR A 104 -10.492 7.006 8.100 1.00 0.00 N ATOM 633 CA THR A 104 -11.623 7.891 7.935 1.00 0.00 C ATOM 634 C THR A 104 -12.875 7.056 7.722 1.00 0.00 C ATOM 635 O THR A 104 -13.950 7.347 8.248 1.00 0.00 O ATOM 636 CB THR A 104 -11.388 8.800 6.739 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.024 9.174 6.650 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.204 10.055 6.802 1.00 0.00 C ATOM 0 H THR A 104 -9.947 6.854 7.251 1.00 0.00 H new ATOM 0 HA THR A 104 -11.747 8.508 8.825 1.00 0.00 H new ATOM 0 HB THR A 104 -11.689 8.224 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.687 8.969 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.998 10.668 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.263 9.799 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.945 10.612 7.702 1.00 0.00 H new ATOM 646 N THR A 105 -12.694 6.003 6.944 1.00 0.00 N ATOM 647 CA THR A 105 -13.744 5.057 6.611 1.00 0.00 C ATOM 648 C THR A 105 -13.464 3.729 7.297 1.00 0.00 C ATOM 649 O THR A 105 -14.364 3.012 7.737 1.00 0.00 O ATOM 650 CB THR A 105 -13.749 4.850 5.105 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.917 3.762 4.740 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.275 6.062 4.333 1.00 0.00 C ATOM 0 H THR A 105 -11.795 5.778 6.518 1.00 0.00 H new ATOM 0 HA THR A 105 -14.709 5.439 6.942 1.00 0.00 H new ATOM 0 HB THR A 105 -14.790 4.655 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.550 3.917 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.303 5.847 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.926 6.909 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.254 6.304 4.627 1.00 0.00 H new ATOM 660 N GLY A 106 -12.180 3.437 7.363 1.00 0.00 N ATOM 661 CA GLY A 106 -11.672 2.234 7.959 1.00 0.00 C ATOM 662 C GLY A 106 -11.726 1.038 7.036 1.00 0.00 C ATOM 663 O GLY A 106 -11.303 -0.056 7.408 1.00 0.00 O ATOM 0 H GLY A 106 -11.451 4.048 6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.640 2.398 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.244 2.014 8.860 1.00 0.00 H new ATOM 667 N GLN A 107 -12.226 1.240 5.823 1.00 0.00 N ATOM 668 CA GLN A 107 -12.307 0.176 4.854 1.00 0.00 C ATOM 669 C GLN A 107 -10.970 -0.526 4.704 1.00 0.00 C ATOM 670 O GLN A 107 -9.951 0.098 4.407 1.00 0.00 O ATOM 671 CB GLN A 107 -12.782 0.741 3.539 1.00 0.00 C ATOM 672 CG GLN A 107 -14.286 0.802 3.474 1.00 0.00 C ATOM 673 CD GLN A 107 -14.835 2.196 3.701 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.341 2.507 4.779 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.742 3.043 2.682 1.00 0.00 N ATOM 0 H GLN A 107 -12.581 2.138 5.495 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.022 -0.571 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.370 1.741 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.406 0.126 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.616 0.442 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.704 0.127 4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.315 2.742 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.098 3.994 2.775 1.00 0.00 H new ATOM 684 N GLU A 108 -10.985 -1.827 4.934 1.00 0.00 N ATOM 685 CA GLU A 108 -9.773 -2.629 4.851 1.00 0.00 C ATOM 686 C GLU A 108 -9.546 -3.156 3.440 1.00 0.00 C ATOM 687 O GLU A 108 -10.492 -3.492 2.728 1.00 0.00 O ATOM 688 CB GLU A 108 -9.840 -3.788 5.841 1.00 0.00 C ATOM 689 CG GLU A 108 -10.033 -3.345 7.279 1.00 0.00 C ATOM 690 CD GLU A 108 -11.191 -4.051 7.959 1.00 0.00 C ATOM 691 OE1 GLU A 108 -12.335 -3.918 7.476 1.00 0.00 O ATOM 692 OE2 GLU A 108 -10.952 -4.736 8.976 1.00 0.00 O ATOM 0 H GLU A 108 -11.823 -2.353 5.180 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.930 -1.987 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.660 -4.449 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.922 -4.371 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.118 -3.535 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.204 -2.269 7.303 1.00 0.00 H new ATOM 699 N GLY A 109 -8.279 -3.224 3.046 1.00 0.00 N ATOM 700 CA GLY A 109 -7.933 -3.711 1.725 1.00 0.00 C ATOM 701 C GLY A 109 -6.451 -3.579 1.436 1.00 0.00 C ATOM 702 O GLY A 109 -5.695 -3.062 2.257 1.00 0.00 O ATOM 0 H GLY A 109 -7.483 -2.949 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.227 -4.757 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.498 -3.157 0.976 1.00 0.00 H new ATOM 706 N PHE A 110 -6.038 -4.047 0.266 1.00 0.00 N ATOM 707 CA PHE A 110 -4.646 -3.986 -0.136 1.00 0.00 C ATOM 708 C PHE A 110 -4.337 -2.646 -0.792 1.00 0.00 C ATOM 709 O PHE A 110 -5.219 -2.010 -1.363 1.00 0.00 O ATOM 710 CB PHE A 110 -4.347 -5.129 -1.100 1.00 0.00 C ATOM 711 CG PHE A 110 -3.799 -6.355 -0.426 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.362 -6.825 0.751 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.723 -7.037 -0.970 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.860 -7.953 1.372 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.217 -8.166 -0.352 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.786 -8.623 0.820 1.00 0.00 C ATOM 0 H PHE A 110 -6.655 -4.476 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.015 -4.085 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.261 -5.394 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.632 -4.785 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.202 -6.304 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.274 -6.683 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.307 -8.310 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.378 -8.690 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.391 -9.504 1.305 1.00 0.00 H new ATOM 726 N ILE A 111 -3.088 -2.211 -0.700 1.00 0.00 N ATOM 727 CA ILE A 111 -2.695 -0.935 -1.281 1.00 0.00 C ATOM 728 C ILE A 111 -1.248 -0.947 -1.767 1.00 0.00 C ATOM 729 O ILE A 111 -0.368 -1.540 -1.142 1.00 0.00 O ATOM 730 CB ILE A 111 -2.869 0.213 -0.265 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.928 0.005 0.923 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.316 0.300 0.199 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.453 1.290 1.563 1.00 0.00 C ATOM 0 H ILE A 111 -2.336 -2.717 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.350 -0.773 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.614 1.156 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.437 -0.597 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.061 -0.566 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.420 1.115 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.963 0.486 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.603 -0.638 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.791 1.058 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.914 1.886 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.312 1.854 1.928 1.00 0.00 H new ATOM 745 N PRO A 112 -0.991 -0.263 -2.887 1.00 0.00 N ATOM 746 CA PRO A 112 0.342 -0.155 -3.467 1.00 0.00 C ATOM 747 C PRO A 112 1.358 0.332 -2.435 1.00 0.00 C ATOM 748 O PRO A 112 1.332 1.492 -2.027 1.00 0.00 O ATOM 749 CB PRO A 112 0.177 0.875 -4.599 1.00 0.00 C ATOM 750 CG PRO A 112 -1.187 1.461 -4.428 1.00 0.00 C ATOM 751 CD PRO A 112 -1.990 0.464 -3.658 1.00 0.00 C ATOM 0 HA PRO A 112 0.717 -1.115 -3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.944 1.647 -4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.278 0.401 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.136 2.411 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.646 1.662 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.719 0.951 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.546 -0.200 -4.320 1.00 0.00 H new ATOM 759 N PHE A 113 2.239 -0.566 -1.998 1.00 0.00 N ATOM 760 CA PHE A 113 3.246 -0.226 -0.994 1.00 0.00 C ATOM 761 C PHE A 113 4.017 1.043 -1.365 1.00 0.00 C ATOM 762 O PHE A 113 4.552 1.729 -0.495 1.00 0.00 O ATOM 763 CB PHE A 113 4.210 -1.402 -0.783 1.00 0.00 C ATOM 764 CG PHE A 113 5.379 -1.427 -1.732 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.190 -1.264 -3.095 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.667 -1.614 -1.257 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.263 -1.288 -3.966 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.744 -1.637 -2.123 1.00 0.00 C ATOM 769 CZ PHE A 113 7.541 -1.474 -3.479 1.00 0.00 C ATOM 0 H PHE A 113 2.276 -1.532 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 113 2.723 -0.026 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.588 -1.367 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.654 -2.334 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.192 -1.116 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.831 -1.743 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.102 -1.161 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.743 -1.782 -1.740 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.381 -1.492 -4.158 1.00 0.00 H new ATOM 779 N ASN A 114 4.073 1.350 -2.657 1.00 0.00 N ATOM 780 CA ASN A 114 4.782 2.533 -3.129 1.00 0.00 C ATOM 781 C ASN A 114 3.816 3.686 -3.387 1.00 0.00 C ATOM 782 O ASN A 114 4.050 4.520 -4.261 1.00 0.00 O ATOM 783 CB ASN A 114 5.558 2.210 -4.407 1.00 0.00 C ATOM 784 CG ASN A 114 4.710 1.481 -5.430 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.490 1.639 -5.468 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.354 0.676 -6.268 1.00 0.00 N ATOM 0 H ASN A 114 3.637 0.797 -3.394 1.00 0.00 H new ATOM 0 HA ASN A 114 5.482 2.838 -2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.934 3.135 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.426 1.600 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.836 0.159 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.367 0.575 -6.201 1.00 0.00 H new ATOM 793 N PHE A 115 2.725 3.722 -2.628 1.00 0.00 N ATOM 794 CA PHE A 115 1.721 4.769 -2.785 1.00 0.00 C ATOM 795 C PHE A 115 1.573 5.613 -1.523 1.00 0.00 C ATOM 796 O PHE A 115 1.108 6.752 -1.583 1.00 0.00 O ATOM 797 CB PHE A 115 0.365 4.149 -3.122 1.00 0.00 C ATOM 798 CG PHE A 115 -0.251 4.688 -4.376 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.509 4.878 -5.517 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.595 5.006 -4.409 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.065 5.375 -6.670 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.174 5.503 -5.556 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.410 5.689 -6.691 1.00 0.00 C ATOM 0 H PHE A 115 2.514 3.040 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 115 2.057 5.416 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.484 3.070 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.319 4.319 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.561 4.635 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.199 4.863 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.537 5.518 -7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.226 5.747 -5.567 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.862 6.078 -7.591 1.00 0.00 H new ATOM 813 N VAL A 116 1.929 5.043 -0.377 1.00 0.00 N ATOM 814 CA VAL A 116 1.783 5.752 0.888 1.00 0.00 C ATOM 815 C VAL A 116 3.113 6.038 1.573 1.00 0.00 C ATOM 816 O VAL A 116 4.077 5.283 1.447 1.00 0.00 O ATOM 817 CB VAL A 116 0.890 4.964 1.862 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.547 4.956 1.372 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.408 3.543 2.050 1.00 0.00 C ATOM 0 H VAL A 116 2.316 4.103 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 116 1.321 6.706 0.635 1.00 0.00 H new ATOM 0 HB VAL A 116 0.921 5.460 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.167 4.395 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.914 5.980 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.594 4.487 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.759 3.008 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.416 3.028 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.420 3.575 2.453 1.00 0.00 H new ATOM 829 N ALA A 117 3.131 7.137 2.322 1.00 0.00 N ATOM 830 CA ALA A 117 4.304 7.557 3.072 1.00 0.00 C ATOM 831 C ALA A 117 3.883 7.998 4.470 1.00 0.00 C ATOM 832 O ALA A 117 2.821 8.593 4.641 1.00 0.00 O ATOM 833 CB ALA A 117 5.025 8.684 2.344 1.00 0.00 C ATOM 0 H ALA A 117 2.330 7.760 2.424 1.00 0.00 H new ATOM 0 HA ALA A 117 4.994 6.718 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.900 8.987 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.339 8.339 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.352 9.534 2.233 1.00 0.00 H new ATOM 839 N LYS A 118 4.705 7.689 5.470 1.00 0.00 N ATOM 840 CA LYS A 118 4.400 8.037 6.858 1.00 0.00 C ATOM 841 C LYS A 118 3.771 9.423 6.976 1.00 0.00 C ATOM 842 O LYS A 118 4.186 10.363 6.298 1.00 0.00 O ATOM 843 CB LYS A 118 5.671 7.979 7.709 1.00 0.00 C ATOM 844 CG LYS A 118 6.273 6.587 7.811 1.00 0.00 C ATOM 845 CD LYS A 118 5.213 5.551 8.144 1.00 0.00 C ATOM 846 CE LYS A 118 5.812 4.162 8.286 1.00 0.00 C ATOM 847 NZ LYS A 118 5.135 3.372 9.352 1.00 0.00 N ATOM 0 H LYS A 118 5.590 7.197 5.346 1.00 0.00 H new ATOM 0 HA LYS A 118 3.677 7.307 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.413 8.656 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.444 8.342 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.755 6.327 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.047 6.578 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.712 5.828 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.454 5.542 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.732 3.633 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.874 4.246 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.573 2.431 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.233 3.863 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.126 3.269 9.120 1.00 0.00 H new ATOM 861 N ALA A 119 2.766 9.540 7.844 1.00 0.00 N ATOM 862 CA ALA A 119 2.077 10.815 8.061 1.00 0.00 C ATOM 863 C ALA A 119 2.988 11.816 8.768 1.00 0.00 C ATOM 864 O ALA A 119 2.632 12.366 9.810 1.00 0.00 O ATOM 865 CB ALA A 119 0.796 10.616 8.869 1.00 0.00 C ATOM 0 H ALA A 119 2.410 8.769 8.409 1.00 0.00 H new ATOM 0 HA ALA A 119 1.812 11.215 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.305 11.578 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.127 9.945 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.041 10.183 9.839 1.00 0.00 H new ATOM 871 N ASN A 120 4.164 12.048 8.195 1.00 0.00 N ATOM 872 CA ASN A 120 5.124 12.983 8.771 1.00 0.00 C ATOM 873 C ASN A 120 5.183 14.271 7.959 1.00 0.00 C ATOM 874 O ASN A 120 4.943 14.209 6.734 1.00 0.00 O ATOM 875 CB ASN A 120 6.511 12.342 8.839 1.00 0.00 C ATOM 876 CG ASN A 120 6.785 11.697 10.183 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.514 12.244 11.012 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.202 10.525 10.407 1.00 0.00 N ATOM 879 OXT ASN A 120 5.470 15.332 8.553 1.00 0.00 O ATOM 0 H ASN A 120 4.476 11.602 7.332 1.00 0.00 H new ATOM 0 HA ASN A 120 4.795 13.229 9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.600 11.591 8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.269 13.100 8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.351 10.043 11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.606 10.107 9.693 1.00 0.00 H new TER 886 ASN A 120