USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 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 175:sc= -0.338! USER MOD Set 1.2: A 107 GLN : amide:sc= -2.58! C(o=-2.9!,f=-7.8!) USER MOD Single : A 64 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Single : A 70 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-6.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.077 USER MOD Single : A 72 TYR OH : rot 62:sc= -1.29! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= 0.143 K(o=0.14,f=-0.63) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -2.65 (180deg=-7.08!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0988 USER MOD Single : A 104 THR OG1 : rot 127:sc= 1 USER MOD Single : A 114 ASN : amide:sc= -0.0364 K(o=-0.036,f=-4.3!) USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= -0.0952 (180deg=-0.405) USER MOD Single : A 120 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 1.785 2.300 12.787 1.00 0.00 N ATOM 2 CA ASN A 64 2.297 1.998 11.453 1.00 0.00 C ATOM 3 C ASN A 64 1.459 2.712 10.412 1.00 0.00 C ATOM 4 O ASN A 64 1.270 2.214 9.301 1.00 0.00 O ATOM 5 CB ASN A 64 2.255 0.493 11.175 1.00 0.00 C ATOM 6 CG ASN A 64 3.507 -0.228 11.634 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.549 0.390 11.854 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.412 -1.544 11.775 1.00 0.00 N ATOM 0 HA ASN A 64 3.332 2.337 11.403 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.389 0.060 11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.120 0.330 10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.223 -2.084 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.528 -2.015 11.582 1.00 0.00 H new ATOM 15 N LEU A 65 0.930 3.870 10.780 1.00 0.00 N ATOM 16 CA LEU A 65 0.088 4.619 9.875 1.00 0.00 C ATOM 17 C LEU A 65 0.896 5.400 8.859 1.00 0.00 C ATOM 18 O LEU A 65 1.961 5.945 9.152 1.00 0.00 O ATOM 19 CB LEU A 65 -0.837 5.561 10.633 1.00 0.00 C ATOM 20 CG LEU A 65 -1.549 6.583 9.766 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.380 5.878 8.710 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.412 7.506 10.612 1.00 0.00 C ATOM 0 H LEU A 65 1.071 4.304 11.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.515 3.888 9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.584 4.968 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.256 6.088 11.390 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.801 7.198 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.888 6.619 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.730 5.267 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.120 5.241 9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.912 8.229 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.159 6.918 11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.785 8.033 11.331 1.00 0.00 H new ATOM 34 N VAL A 66 0.355 5.435 7.660 1.00 0.00 N ATOM 35 CA VAL A 66 0.965 6.129 6.543 1.00 0.00 C ATOM 36 C VAL A 66 0.009 7.137 5.920 1.00 0.00 C ATOM 37 O VAL A 66 -1.111 7.328 6.388 1.00 0.00 O ATOM 38 CB VAL A 66 1.388 5.140 5.458 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.690 4.454 5.831 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.291 4.118 5.201 1.00 0.00 C ATOM 0 H VAL A 66 -0.528 4.979 7.430 1.00 0.00 H new ATOM 0 HA VAL A 66 1.836 6.653 6.937 1.00 0.00 H new ATOM 0 HB VAL A 66 1.552 5.698 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.971 3.755 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.474 5.202 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.561 3.913 6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.614 3.424 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.086 3.566 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.614 4.630 4.875 1.00 0.00 H new ATOM 50 N ILE A 67 0.461 7.767 4.849 1.00 0.00 N ATOM 51 CA ILE A 67 -0.347 8.741 4.141 1.00 0.00 C ATOM 52 C ILE A 67 -0.064 8.691 2.644 1.00 0.00 C ATOM 53 O ILE A 67 1.082 8.798 2.208 1.00 0.00 O ATOM 54 CB ILE A 67 -0.143 10.171 4.700 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.388 10.565 5.482 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.135 11.178 3.592 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.438 12.015 5.910 1.00 0.00 C ATOM 0 H ILE A 67 1.388 7.619 4.450 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.393 8.479 4.300 1.00 0.00 H new ATOM 0 HB ILE A 67 0.729 10.175 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.266 10.351 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.456 9.936 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.272 12.168 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.039 10.889 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.707 11.199 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.361 12.200 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.584 12.235 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.406 12.656 5.029 1.00 0.00 H new ATOM 69 N ALA A 68 -1.124 8.508 1.871 1.00 0.00 N ATOM 70 CA ALA A 68 -1.014 8.416 0.419 1.00 0.00 C ATOM 71 C ALA A 68 -0.428 9.685 -0.189 1.00 0.00 C ATOM 72 O ALA A 68 -0.593 10.782 0.345 1.00 0.00 O ATOM 73 CB ALA A 68 -2.371 8.113 -0.196 1.00 0.00 C ATOM 0 H ALA A 68 -2.076 8.420 2.226 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.329 7.599 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.273 8.047 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.743 7.165 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.071 8.909 0.057 1.00 0.00 H new ATOM 79 N LEU A 69 0.251 9.517 -1.319 1.00 0.00 N ATOM 80 CA LEU A 69 0.864 10.634 -2.028 1.00 0.00 C ATOM 81 C LEU A 69 0.273 10.778 -3.430 1.00 0.00 C ATOM 82 O LEU A 69 0.796 11.521 -4.260 1.00 0.00 O ATOM 83 CB LEU A 69 2.374 10.419 -2.129 1.00 0.00 C ATOM 84 CG LEU A 69 3.132 10.536 -0.804 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.618 10.254 -0.994 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.929 11.919 -0.205 1.00 0.00 C ATOM 0 H LEU A 69 0.391 8.611 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 69 0.661 11.547 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.558 9.431 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.784 11.146 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 69 2.733 9.789 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.131 10.344 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.750 9.244 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.037 10.972 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.473 11.991 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.302 12.674 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.867 12.085 -0.025 1.00 0.00 H new ATOM 98 N HIS A 70 -0.812 10.050 -3.693 1.00 0.00 N ATOM 99 CA HIS A 70 -1.462 10.085 -4.998 1.00 0.00 C ATOM 100 C HIS A 70 -2.832 9.416 -4.935 1.00 0.00 C ATOM 101 O HIS A 70 -3.011 8.412 -4.244 1.00 0.00 O ATOM 102 CB HIS A 70 -0.593 9.388 -6.062 1.00 0.00 C ATOM 103 CG HIS A 70 0.623 8.688 -5.519 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.827 8.648 -6.188 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.819 8.008 -4.362 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.708 7.978 -5.468 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.125 7.581 -4.355 1.00 0.00 N ATOM 0 H HIS A 70 -1.258 9.429 -3.018 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.590 11.130 -5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.207 8.661 -6.594 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.272 10.130 -6.793 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.009 9.070 -7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.085 7.834 -3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.734 7.787 -5.745 1.00 0.00 H new ATOM 116 N SER A 71 -3.796 9.970 -5.667 1.00 0.00 N ATOM 117 CA SER A 71 -5.146 9.415 -5.695 1.00 0.00 C ATOM 118 C SER A 71 -5.113 7.961 -6.152 1.00 0.00 C ATOM 119 O SER A 71 -4.572 7.648 -7.212 1.00 0.00 O ATOM 120 CB SER A 71 -6.042 10.233 -6.625 1.00 0.00 C ATOM 121 OG SER A 71 -5.559 11.557 -6.766 1.00 0.00 O ATOM 0 H SER A 71 -3.668 10.800 -6.246 1.00 0.00 H new ATOM 0 HA SER A 71 -5.555 9.459 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.089 9.754 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.058 10.254 -6.231 1.00 0.00 H new ATOM 0 HG SER A 71 -6.149 12.058 -7.367 1.00 0.00 H new ATOM 127 N TYR A 72 -5.676 7.074 -5.340 1.00 0.00 N ATOM 128 CA TYR A 72 -5.684 5.648 -5.669 1.00 0.00 C ATOM 129 C TYR A 72 -7.047 5.164 -6.150 1.00 0.00 C ATOM 130 O TYR A 72 -8.091 5.634 -5.698 1.00 0.00 O ATOM 131 CB TYR A 72 -5.261 4.810 -4.465 1.00 0.00 C ATOM 132 CG TYR A 72 -4.990 3.363 -4.815 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.174 3.025 -5.889 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.557 2.334 -4.076 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.933 1.705 -6.213 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.321 1.012 -4.396 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.511 0.703 -5.464 1.00 0.00 C ATOM 138 OH TYR A 72 -4.279 -0.611 -5.787 1.00 0.00 O ATOM 0 H TYR A 72 -6.129 7.310 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.970 5.522 -6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.364 5.245 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.043 4.854 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.721 3.808 -6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.194 2.572 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.295 1.459 -7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.770 0.224 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.323 -0.806 -5.698 1.00 0.00 H new ATOM 148 N GLU A 73 -7.012 4.196 -7.063 1.00 0.00 N ATOM 149 CA GLU A 73 -8.211 3.599 -7.614 1.00 0.00 C ATOM 150 C GLU A 73 -8.036 2.084 -7.725 1.00 0.00 C ATOM 151 O GLU A 73 -7.489 1.579 -8.706 1.00 0.00 O ATOM 152 CB GLU A 73 -8.505 4.194 -8.974 1.00 0.00 C ATOM 153 CG GLU A 73 -9.810 4.962 -9.024 1.00 0.00 C ATOM 154 CD GLU A 73 -9.924 5.841 -10.254 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.384 6.967 -10.232 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.555 5.403 -11.239 1.00 0.00 O ATOM 0 H GLU A 73 -6.146 3.808 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.051 3.807 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.689 4.860 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.534 3.394 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.642 4.258 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.897 5.581 -8.131 1.00 0.00 H new ATOM 163 N PRO A 74 -8.495 1.348 -6.703 1.00 0.00 N ATOM 164 CA PRO A 74 -8.404 -0.107 -6.631 1.00 0.00 C ATOM 165 C PRO A 74 -8.599 -0.792 -7.980 1.00 0.00 C ATOM 166 O PRO A 74 -9.583 -0.550 -8.679 1.00 0.00 O ATOM 167 CB PRO A 74 -9.535 -0.486 -5.659 1.00 0.00 C ATOM 168 CG PRO A 74 -10.129 0.806 -5.180 1.00 0.00 C ATOM 169 CD PRO A 74 -9.141 1.884 -5.519 1.00 0.00 C ATOM 0 HA PRO A 74 -7.414 -0.430 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.287 -1.099 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.150 -1.070 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.088 0.994 -5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.313 0.773 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.631 2.837 -5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.431 2.054 -4.710 1.00 0.00 H new ATOM 177 N SER A 75 -7.649 -1.652 -8.334 1.00 0.00 N ATOM 178 CA SER A 75 -7.701 -2.385 -9.593 1.00 0.00 C ATOM 179 C SER A 75 -7.564 -3.887 -9.354 1.00 0.00 C ATOM 180 O SER A 75 -8.243 -4.691 -9.992 1.00 0.00 O ATOM 181 CB SER A 75 -6.597 -1.901 -10.536 1.00 0.00 C ATOM 182 OG SER A 75 -7.115 -1.610 -11.822 1.00 0.00 O ATOM 0 H SER A 75 -6.830 -1.859 -7.763 1.00 0.00 H new ATOM 0 HA SER A 75 -8.670 -2.197 -10.055 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.125 -1.011 -10.121 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.823 -2.664 -10.617 1.00 0.00 H new ATOM 0 HG SER A 75 -6.390 -1.301 -12.405 1.00 0.00 H new ATOM 188 N HIS A 76 -6.681 -4.258 -8.429 1.00 0.00 N ATOM 189 CA HIS A 76 -6.460 -5.663 -8.106 1.00 0.00 C ATOM 190 C HIS A 76 -7.551 -6.182 -7.174 1.00 0.00 C ATOM 191 O HIS A 76 -8.363 -5.411 -6.663 1.00 0.00 O ATOM 192 CB HIS A 76 -5.085 -5.855 -7.458 1.00 0.00 C ATOM 193 CG HIS A 76 -4.007 -6.204 -8.436 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.029 -5.312 -8.830 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.752 -7.355 -9.101 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.222 -5.902 -9.694 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.639 -7.141 -9.875 1.00 0.00 N ATOM 0 H HIS A 76 -6.109 -3.606 -7.892 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.495 -6.232 -9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.808 -4.940 -6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.153 -6.643 -6.708 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -2.943 -4.349 -8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.319 -8.272 -9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.366 -5.447 -10.171 1.00 0.00 H new ATOM 206 N ASP A 77 -7.566 -7.494 -6.959 1.00 0.00 N ATOM 207 CA ASP A 77 -8.560 -8.115 -6.090 1.00 0.00 C ATOM 208 C ASP A 77 -8.216 -7.891 -4.620 1.00 0.00 C ATOM 209 O ASP A 77 -7.059 -8.012 -4.218 1.00 0.00 O ATOM 210 CB ASP A 77 -8.657 -9.614 -6.384 1.00 0.00 C ATOM 211 CG ASP A 77 -10.079 -10.058 -6.663 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.983 -9.675 -5.892 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.290 -10.789 -7.654 1.00 0.00 O ATOM 0 H ASP A 77 -6.902 -8.147 -7.374 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.525 -7.649 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.029 -9.854 -7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.264 -10.174 -5.535 1.00 0.00 H new ATOM 218 N GLY A 78 -9.229 -7.567 -3.823 1.00 0.00 N ATOM 219 CA GLY A 78 -9.012 -7.333 -2.406 1.00 0.00 C ATOM 220 C GLY A 78 -8.156 -6.112 -2.142 1.00 0.00 C ATOM 221 O GLY A 78 -7.323 -6.118 -1.237 1.00 0.00 O ATOM 0 H GLY A 78 -10.195 -7.462 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.975 -7.211 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.535 -8.209 -1.966 1.00 0.00 H new ATOM 225 N ASP A 79 -8.362 -5.061 -2.931 1.00 0.00 N ATOM 226 CA ASP A 79 -7.598 -3.831 -2.772 1.00 0.00 C ATOM 227 C ASP A 79 -8.432 -2.750 -2.097 1.00 0.00 C ATOM 228 O ASP A 79 -9.660 -2.752 -2.177 1.00 0.00 O ATOM 229 CB ASP A 79 -7.097 -3.332 -4.126 1.00 0.00 C ATOM 230 CG ASP A 79 -6.079 -4.268 -4.743 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.362 -5.481 -4.826 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.997 -3.788 -5.139 1.00 0.00 O ATOM 0 H ASP A 79 -9.050 -5.038 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.741 -4.052 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.942 -3.220 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.652 -2.344 -4.005 1.00 0.00 H new ATOM 237 N LEU A 80 -7.748 -1.824 -1.440 1.00 0.00 N ATOM 238 CA LEU A 80 -8.405 -0.722 -0.753 1.00 0.00 C ATOM 239 C LEU A 80 -8.123 0.590 -1.478 1.00 0.00 C ATOM 240 O LEU A 80 -6.981 0.880 -1.830 1.00 0.00 O ATOM 241 CB LEU A 80 -7.922 -0.649 0.705 1.00 0.00 C ATOM 242 CG LEU A 80 -7.966 0.737 1.353 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.404 1.183 1.579 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.198 0.734 2.667 1.00 0.00 C ATOM 0 H LEU A 80 -6.731 -1.815 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.482 -0.892 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.529 -1.328 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.897 -1.017 0.747 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.492 1.446 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.410 2.171 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.926 1.226 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.906 0.473 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.239 1.727 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.645 0.010 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.159 0.463 2.480 1.00 0.00 H new ATOM 256 N GLY A 81 -9.168 1.377 -1.698 1.00 0.00 N ATOM 257 CA GLY A 81 -9.001 2.645 -2.379 1.00 0.00 C ATOM 258 C GLY A 81 -8.889 3.805 -1.417 1.00 0.00 C ATOM 259 O GLY A 81 -9.539 3.822 -0.372 1.00 0.00 O ATOM 0 H GLY A 81 -10.125 1.161 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.107 2.605 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.847 2.810 -3.046 1.00 0.00 H new ATOM 263 N PHE A 82 -8.057 4.773 -1.769 1.00 0.00 N ATOM 264 CA PHE A 82 -7.851 5.945 -0.935 1.00 0.00 C ATOM 265 C PHE A 82 -7.557 7.166 -1.787 1.00 0.00 C ATOM 266 O PHE A 82 -7.461 7.075 -3.011 1.00 0.00 O ATOM 267 CB PHE A 82 -6.703 5.714 0.048 1.00 0.00 C ATOM 268 CG PHE A 82 -5.558 4.920 -0.523 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.706 3.573 -0.811 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.333 5.521 -0.769 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.656 2.842 -1.335 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.278 4.792 -1.293 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.443 3.451 -1.576 1.00 0.00 C ATOM 0 H PHE A 82 -7.512 4.769 -2.631 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.768 6.120 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.329 6.680 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.089 5.196 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.653 3.088 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.200 6.570 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.786 1.793 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.329 5.272 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.623 2.880 -1.986 1.00 0.00 H new ATOM 283 N GLU A 83 -7.419 8.308 -1.133 1.00 0.00 N ATOM 284 CA GLU A 83 -7.139 9.550 -1.831 1.00 0.00 C ATOM 285 C GLU A 83 -5.717 10.022 -1.550 1.00 0.00 C ATOM 286 O GLU A 83 -5.020 9.457 -0.709 1.00 0.00 O ATOM 287 CB GLU A 83 -8.142 10.614 -1.396 1.00 0.00 C ATOM 288 CG GLU A 83 -9.199 10.912 -2.443 1.00 0.00 C ATOM 289 CD GLU A 83 -9.413 12.398 -2.654 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.416 13.114 -2.882 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.578 12.845 -2.593 1.00 0.00 O ATOM 0 H GLU A 83 -7.496 8.400 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.232 9.379 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.632 10.287 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.606 11.533 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.907 10.454 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.141 10.453 -2.143 1.00 0.00 H new ATOM 298 N LYS A 84 -5.296 11.069 -2.246 1.00 0.00 N ATOM 299 CA LYS A 84 -3.966 11.619 -2.043 1.00 0.00 C ATOM 300 C LYS A 84 -3.920 12.314 -0.687 1.00 0.00 C ATOM 301 O LYS A 84 -4.792 13.119 -0.361 1.00 0.00 O ATOM 302 CB LYS A 84 -3.606 12.580 -3.179 1.00 0.00 C ATOM 303 CG LYS A 84 -2.481 13.551 -2.844 1.00 0.00 C ATOM 304 CD LYS A 84 -2.566 14.810 -3.687 1.00 0.00 C ATOM 305 CE LYS A 84 -1.665 14.729 -4.909 1.00 0.00 C ATOM 306 NZ LYS A 84 -0.853 15.965 -5.084 1.00 0.00 N ATOM 0 H LYS A 84 -5.853 11.551 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.227 10.817 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.319 11.998 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.494 13.151 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.529 13.815 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.519 13.066 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.597 14.967 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.284 15.672 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.002 13.869 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.274 14.566 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.253 15.869 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.485 16.782 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.253 16.108 -4.247 1.00 0.00 H new ATOM 320 N GLY A 85 -2.921 11.969 0.113 1.00 0.00 N ATOM 321 CA GLY A 85 -2.807 12.538 1.443 1.00 0.00 C ATOM 322 C GLY A 85 -3.627 11.755 2.450 1.00 0.00 C ATOM 323 O GLY A 85 -3.434 11.891 3.658 1.00 0.00 O ATOM 0 H GLY A 85 -2.187 11.305 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.761 12.545 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.141 13.575 1.427 1.00 0.00 H new ATOM 327 N GLU A 86 -4.532 10.913 1.948 1.00 0.00 N ATOM 328 CA GLU A 86 -5.369 10.084 2.800 1.00 0.00 C ATOM 329 C GLU A 86 -4.501 9.278 3.745 1.00 0.00 C ATOM 330 O GLU A 86 -3.292 9.171 3.548 1.00 0.00 O ATOM 331 CB GLU A 86 -6.209 9.134 1.940 1.00 0.00 C ATOM 332 CG GLU A 86 -7.629 8.874 2.429 1.00 0.00 C ATOM 333 CD GLU A 86 -8.033 9.693 3.644 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.268 10.909 3.488 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.110 9.116 4.749 1.00 0.00 O ATOM 0 H GLU A 86 -4.700 10.791 0.949 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.032 10.727 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.262 9.540 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.688 8.179 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.325 9.084 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.730 7.816 2.669 1.00 0.00 H new ATOM 342 N GLN A 87 -5.117 8.706 4.763 1.00 0.00 N ATOM 343 CA GLN A 87 -4.380 7.910 5.729 1.00 0.00 C ATOM 344 C GLN A 87 -4.947 6.508 5.834 1.00 0.00 C ATOM 345 O GLN A 87 -6.151 6.289 5.709 1.00 0.00 O ATOM 346 CB GLN A 87 -4.377 8.577 7.099 1.00 0.00 C ATOM 347 CG GLN A 87 -4.137 10.074 7.040 1.00 0.00 C ATOM 348 CD GLN A 87 -4.995 10.845 8.025 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.530 11.906 7.702 1.00 0.00 O ATOM 350 NE2 GLN A 87 -5.129 10.315 9.235 1.00 0.00 N ATOM 0 H GLN A 87 -6.119 8.776 4.943 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.352 7.839 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.332 8.389 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.606 8.117 7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.086 10.277 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.341 10.431 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.668 9.433 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.693 10.789 9.940 1.00 0.00 H new ATOM 359 N LEU A 88 -4.052 5.569 6.069 1.00 0.00 N ATOM 360 CA LEU A 88 -4.411 4.165 6.203 1.00 0.00 C ATOM 361 C LEU A 88 -3.504 3.489 7.206 1.00 0.00 C ATOM 362 O LEU A 88 -2.280 3.562 7.102 1.00 0.00 O ATOM 363 CB LEU A 88 -4.298 3.427 4.870 1.00 0.00 C ATOM 364 CG LEU A 88 -4.514 4.271 3.618 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.439 3.964 2.588 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.898 4.015 3.050 1.00 0.00 C ATOM 0 H LEU A 88 -3.054 5.755 6.173 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.446 4.126 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.309 2.973 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.023 2.613 4.865 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.442 5.326 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.603 4.572 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.459 4.191 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.483 2.909 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.043 4.622 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.996 2.961 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.651 4.278 3.793 1.00 0.00 H new ATOM 378 N ARG A 89 -4.106 2.814 8.162 1.00 0.00 N ATOM 379 CA ARG A 89 -3.353 2.110 9.164 1.00 0.00 C ATOM 380 C ARG A 89 -2.873 0.786 8.588 1.00 0.00 C ATOM 381 O ARG A 89 -3.645 -0.158 8.428 1.00 0.00 O ATOM 382 CB ARG A 89 -4.210 1.898 10.401 1.00 0.00 C ATOM 383 CG ARG A 89 -3.606 0.915 11.365 1.00 0.00 C ATOM 384 CD ARG A 89 -4.399 0.847 12.651 1.00 0.00 C ATOM 385 NE ARG A 89 -3.610 0.303 13.752 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.134 -0.278 14.829 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.451 -0.387 14.960 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.339 -0.749 15.780 1.00 0.00 N ATOM 0 H ARG A 89 -5.118 2.741 8.262 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.483 2.696 9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.355 2.853 10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.196 1.545 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.570 -0.073 10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.578 1.203 11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.749 1.845 12.914 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.284 0.229 12.499 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.594 0.372 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.068 -0.024 14.233 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.846 -0.833 15.788 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.327 -0.666 15.686 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.740 -1.194 16.606 1.00 0.00 H new ATOM 402 N ILE A 90 -1.595 0.746 8.251 1.00 0.00 N ATOM 403 CA ILE A 90 -0.991 -0.433 7.653 1.00 0.00 C ATOM 404 C ILE A 90 -1.116 -1.655 8.545 1.00 0.00 C ATOM 405 O ILE A 90 -0.485 -1.749 9.598 1.00 0.00 O ATOM 406 CB ILE A 90 0.493 -0.194 7.307 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.649 1.103 6.514 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.059 -1.361 6.517 1.00 0.00 C ATOM 409 CD1 ILE A 90 0.019 1.056 5.138 1.00 0.00 C ATOM 0 H ILE A 90 -0.950 1.525 8.383 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.543 -0.624 6.733 1.00 0.00 H new ATOM 0 HB ILE A 90 1.051 -0.109 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.203 1.920 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.710 1.329 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.107 -1.169 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.979 -2.273 7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.498 -1.479 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.170 2.011 4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.482 0.261 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.049 0.861 5.233 1.00 0.00 H new ATOM 421 N LEU A 91 -1.925 -2.599 8.088 1.00 0.00 N ATOM 422 CA LEU A 91 -2.142 -3.846 8.797 1.00 0.00 C ATOM 423 C LEU A 91 -0.975 -4.773 8.524 1.00 0.00 C ATOM 424 O LEU A 91 -0.389 -5.356 9.437 1.00 0.00 O ATOM 425 CB LEU A 91 -3.444 -4.479 8.314 1.00 0.00 C ATOM 426 CG LEU A 91 -4.621 -3.504 8.230 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.865 -4.180 7.677 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.902 -2.884 9.591 1.00 0.00 C ATOM 0 H LEU A 91 -2.448 -2.520 7.216 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.215 -3.664 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.279 -4.918 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.710 -5.295 8.986 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.345 -2.708 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.681 -3.459 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.659 -4.559 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.149 -5.008 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.742 -2.194 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.146 -3.670 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.020 -2.343 9.934 1.00 0.00 H new ATOM 440 N GLU A 92 -0.631 -4.869 7.250 1.00 0.00 N ATOM 441 CA GLU A 92 0.483 -5.682 6.811 1.00 0.00 C ATOM 442 C GLU A 92 1.238 -4.968 5.704 1.00 0.00 C ATOM 443 O GLU A 92 0.636 -4.362 4.821 1.00 0.00 O ATOM 444 CB GLU A 92 0.009 -7.054 6.343 1.00 0.00 C ATOM 445 CG GLU A 92 0.591 -8.181 7.170 1.00 0.00 C ATOM 446 CD GLU A 92 -0.465 -8.953 7.937 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.307 -9.611 7.289 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.449 -8.903 9.184 1.00 0.00 O ATOM 0 H GLU A 92 -1.117 -4.385 6.495 1.00 0.00 H new ATOM 0 HA GLU A 92 1.155 -5.835 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.079 -7.095 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.286 -7.194 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.131 -8.865 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.318 -7.772 7.872 1.00 0.00 H new ATOM 455 N GLN A 93 2.558 -5.018 5.767 1.00 0.00 N ATOM 456 CA GLN A 93 3.386 -4.349 4.778 1.00 0.00 C ATOM 457 C GLN A 93 4.367 -5.315 4.136 1.00 0.00 C ATOM 458 O GLN A 93 5.495 -4.948 3.807 1.00 0.00 O ATOM 459 CB GLN A 93 4.122 -3.183 5.421 1.00 0.00 C ATOM 460 CG GLN A 93 4.455 -3.439 6.859 1.00 0.00 C ATOM 461 CD GLN A 93 4.978 -2.210 7.580 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.475 -1.837 8.639 1.00 0.00 O ATOM 463 NE2 GLN A 93 5.993 -1.575 7.006 1.00 0.00 N ATOM 0 H GLN A 93 3.078 -5.514 6.491 1.00 0.00 H new ATOM 0 HA GLN A 93 2.738 -3.967 3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.041 -2.988 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.508 -2.285 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.565 -3.802 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.201 -4.231 6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.379 -1.920 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.387 -0.742 7.444 1.00 0.00 H new ATOM 472 N SER A 94 3.920 -6.546 3.949 1.00 0.00 N ATOM 473 CA SER A 94 4.743 -7.571 3.329 1.00 0.00 C ATOM 474 C SER A 94 4.435 -7.654 1.841 1.00 0.00 C ATOM 475 O SER A 94 3.288 -7.871 1.446 1.00 0.00 O ATOM 476 CB SER A 94 4.506 -8.926 3.997 1.00 0.00 C ATOM 477 OG SER A 94 3.430 -8.864 4.917 1.00 0.00 O ATOM 0 H SER A 94 2.988 -6.860 4.219 1.00 0.00 H new ATOM 0 HA SER A 94 5.792 -7.304 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.294 -9.677 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.412 -9.243 4.514 1.00 0.00 H new ATOM 0 HG SER A 94 3.300 -9.744 5.328 1.00 0.00 H new ATOM 483 N GLY A 95 5.458 -7.471 1.019 1.00 0.00 N ATOM 484 CA GLY A 95 5.266 -7.517 -0.418 1.00 0.00 C ATOM 485 C GLY A 95 4.956 -6.164 -1.008 1.00 0.00 C ATOM 486 O GLY A 95 4.509 -5.253 -0.310 1.00 0.00 O ATOM 0 H GLY A 95 6.416 -7.292 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.165 -7.916 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.453 -8.205 -0.650 1.00 0.00 H new ATOM 490 N GLU A 96 5.192 -6.042 -2.305 1.00 0.00 N ATOM 491 CA GLU A 96 4.940 -4.807 -3.029 1.00 0.00 C ATOM 492 C GLU A 96 3.544 -4.251 -2.722 1.00 0.00 C ATOM 493 O GLU A 96 3.286 -3.065 -2.918 1.00 0.00 O ATOM 494 CB GLU A 96 5.106 -5.060 -4.524 1.00 0.00 C ATOM 495 CG GLU A 96 4.140 -4.274 -5.362 1.00 0.00 C ATOM 496 CD GLU A 96 4.413 -4.388 -6.849 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.990 -5.413 -7.271 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.048 -3.453 -7.592 1.00 0.00 O ATOM 0 H GLU A 96 5.563 -6.795 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 96 5.661 -4.057 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.124 -4.807 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.971 -6.123 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.126 -4.619 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.185 -3.225 -5.070 1.00 0.00 H new ATOM 505 N TRP A 97 2.646 -5.107 -2.245 1.00 0.00 N ATOM 506 CA TRP A 97 1.293 -4.681 -1.918 1.00 0.00 C ATOM 507 C TRP A 97 1.054 -4.754 -0.412 1.00 0.00 C ATOM 508 O TRP A 97 1.025 -5.837 0.170 1.00 0.00 O ATOM 509 CB TRP A 97 0.280 -5.545 -2.667 1.00 0.00 C ATOM 510 CG TRP A 97 0.125 -5.138 -4.099 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.866 -5.572 -5.161 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.818 -4.201 -4.625 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.442 -4.956 -6.314 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.592 -4.110 -6.010 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.833 -3.429 -4.056 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.343 -3.275 -6.834 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.577 -2.602 -4.872 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.328 -2.529 -6.248 1.00 0.00 C ATOM 0 H TRP A 97 2.831 -6.096 -2.077 1.00 0.00 H new ATOM 0 HA TRP A 97 1.167 -3.644 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.593 -6.588 -2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.687 -5.480 -2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.668 -6.293 -5.103 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.833 -5.104 -7.244 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.032 -3.478 -2.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.154 -3.219 -7.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.365 -2.001 -4.442 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.926 -1.870 -6.859 1.00 0.00 H new ATOM 529 N TRP A 98 0.899 -3.589 0.214 1.00 0.00 N ATOM 530 CA TRP A 98 0.684 -3.518 1.655 1.00 0.00 C ATOM 531 C TRP A 98 -0.794 -3.468 2.015 1.00 0.00 C ATOM 532 O TRP A 98 -1.588 -2.794 1.358 1.00 0.00 O ATOM 533 CB TRP A 98 1.375 -2.287 2.240 1.00 0.00 C ATOM 534 CG TRP A 98 2.867 -2.392 2.259 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.628 -3.405 1.756 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.775 -1.447 2.820 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.960 -3.147 1.975 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.075 -1.945 2.625 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.609 -0.226 3.468 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.207 -1.257 3.058 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.729 0.459 3.898 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.015 -0.056 3.690 1.00 0.00 C ATOM 0 H TRP A 98 0.918 -2.683 -0.255 1.00 0.00 H new ATOM 0 HA TRP A 98 1.111 -4.427 2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.088 -1.410 1.661 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.017 -2.128 3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.241 -4.282 1.258 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.735 -3.750 1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.621 0.179 3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.199 -1.655 2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.611 1.407 4.403 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.872 0.504 4.034 1.00 0.00 H new ATOM 553 N LYS A 99 -1.143 -4.162 3.090 1.00 0.00 N ATOM 554 CA LYS A 99 -2.508 -4.181 3.586 1.00 0.00 C ATOM 555 C LYS A 99 -2.709 -3.015 4.542 1.00 0.00 C ATOM 556 O LYS A 99 -2.083 -2.962 5.599 1.00 0.00 O ATOM 557 CB LYS A 99 -2.791 -5.502 4.310 1.00 0.00 C ATOM 558 CG LYS A 99 -4.153 -5.560 4.982 1.00 0.00 C ATOM 559 CD LYS A 99 -5.205 -4.852 4.163 1.00 0.00 C ATOM 560 CE LYS A 99 -6.604 -5.298 4.550 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.308 -5.972 3.424 1.00 0.00 N ATOM 0 H LYS A 99 -0.491 -4.723 3.638 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.197 -4.090 2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.716 -6.320 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.019 -5.665 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.444 -6.600 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.092 -5.104 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.113 -3.775 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.038 -5.051 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.545 -5.978 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.183 -4.433 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.275 -5.598 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.795 -5.793 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.346 -6.996 3.602 1.00 0.00 H new ATOM 575 N ALA A 100 -3.567 -2.074 4.170 1.00 0.00 N ATOM 576 CA ALA A 100 -3.813 -0.915 5.014 1.00 0.00 C ATOM 577 C ALA A 100 -5.268 -0.814 5.419 1.00 0.00 C ATOM 578 O ALA A 100 -6.168 -1.085 4.625 1.00 0.00 O ATOM 579 CB ALA A 100 -3.394 0.366 4.308 1.00 0.00 C ATOM 0 H ALA A 100 -4.098 -2.090 3.299 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.214 -1.045 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.587 1.219 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.330 0.321 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.964 0.476 3.385 1.00 0.00 H new ATOM 585 N GLN A 101 -5.492 -0.379 6.649 1.00 0.00 N ATOM 586 CA GLN A 101 -6.837 -0.192 7.141 1.00 0.00 C ATOM 587 C GLN A 101 -7.101 1.293 7.237 1.00 0.00 C ATOM 588 O GLN A 101 -6.521 1.986 8.073 1.00 0.00 O ATOM 589 CB GLN A 101 -7.038 -0.859 8.501 1.00 0.00 C ATOM 590 CG GLN A 101 -8.366 -0.517 9.140 1.00 0.00 C ATOM 591 CD GLN A 101 -8.414 -0.849 10.617 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.884 -1.916 11.012 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.924 0.068 11.444 1.00 0.00 N ATOM 0 H GLN A 101 -4.758 -0.151 7.319 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.540 -0.660 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.966 -1.940 8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.232 -0.557 9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.565 0.546 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.161 -1.057 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.544 0.939 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.928 -0.099 12.450 1.00 0.00 H new ATOM 602 N SER A 102 -7.972 1.780 6.376 1.00 0.00 N ATOM 603 CA SER A 102 -8.308 3.183 6.356 1.00 0.00 C ATOM 604 C SER A 102 -8.644 3.661 7.760 1.00 0.00 C ATOM 605 O SER A 102 -8.801 2.853 8.676 1.00 0.00 O ATOM 606 CB SER A 102 -9.474 3.396 5.403 1.00 0.00 C ATOM 607 OG SER A 102 -9.066 4.097 4.240 1.00 0.00 O ATOM 0 H SER A 102 -8.460 1.218 5.679 1.00 0.00 H new ATOM 0 HA SER A 102 -7.457 3.767 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.896 2.432 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.263 3.953 5.908 1.00 0.00 H new ATOM 0 HG SER A 102 -9.835 4.218 3.645 1.00 0.00 H new ATOM 613 N LEU A 103 -8.725 4.964 7.939 1.00 0.00 N ATOM 614 CA LEU A 103 -9.020 5.514 9.255 1.00 0.00 C ATOM 615 C LEU A 103 -10.211 6.457 9.223 1.00 0.00 C ATOM 616 O LEU A 103 -10.894 6.643 10.230 1.00 0.00 O ATOM 617 CB LEU A 103 -7.786 6.200 9.809 1.00 0.00 C ATOM 618 CG LEU A 103 -6.706 5.217 10.263 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.665 5.052 9.175 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.060 5.652 11.567 1.00 0.00 C ATOM 0 H LEU A 103 -8.593 5.658 7.203 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.295 4.692 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.371 6.860 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.074 6.828 10.652 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.183 4.254 10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.900 4.350 9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.140 4.670 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.205 6.017 8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.299 4.927 11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.598 6.631 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.819 5.711 12.347 1.00 0.00 H new ATOM 632 N THR A 104 -10.480 7.022 8.059 1.00 0.00 N ATOM 633 CA THR A 104 -11.611 7.908 7.895 1.00 0.00 C ATOM 634 C THR A 104 -12.862 7.074 7.671 1.00 0.00 C ATOM 635 O THR A 104 -13.936 7.356 8.203 1.00 0.00 O ATOM 636 CB THR A 104 -11.374 8.826 6.705 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.008 9.189 6.612 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.180 10.087 6.783 1.00 0.00 C ATOM 0 H THR A 104 -9.927 6.880 7.214 1.00 0.00 H new ATOM 0 HA THR A 104 -11.737 8.519 8.789 1.00 0.00 H new ATOM 0 HB THR A 104 -11.684 8.261 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.675 8.984 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.973 10.706 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.241 9.839 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.913 10.634 7.687 1.00 0.00 H new ATOM 646 N THR A 105 -12.679 6.032 6.880 1.00 0.00 N ATOM 647 CA THR A 105 -13.727 5.087 6.538 1.00 0.00 C ATOM 648 C THR A 105 -13.456 3.757 7.226 1.00 0.00 C ATOM 649 O THR A 105 -14.362 3.037 7.644 1.00 0.00 O ATOM 650 CB THR A 105 -13.722 4.878 5.032 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.908 3.772 4.677 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.216 6.075 4.258 1.00 0.00 C ATOM 0 H THR A 105 -11.780 5.815 6.449 1.00 0.00 H new ATOM 0 HA THR A 105 -14.693 5.473 6.862 1.00 0.00 H new ATOM 0 HB THR A 105 -14.766 4.706 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.983 3.606 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.240 5.855 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.850 6.937 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.192 6.297 4.560 1.00 0.00 H new ATOM 660 N GLY A 106 -12.173 3.468 7.312 1.00 0.00 N ATOM 661 CA GLY A 106 -11.674 2.262 7.910 1.00 0.00 C ATOM 662 C GLY A 106 -11.724 1.072 6.981 1.00 0.00 C ATOM 663 O GLY A 106 -11.294 -0.022 7.345 1.00 0.00 O ATOM 0 H GLY A 106 -11.439 4.082 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.644 2.422 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.255 2.041 8.805 1.00 0.00 H new ATOM 667 N GLN A 107 -12.233 1.280 5.771 1.00 0.00 N ATOM 668 CA GLN A 107 -12.312 0.221 4.797 1.00 0.00 C ATOM 669 C GLN A 107 -10.975 -0.482 4.645 1.00 0.00 C ATOM 670 O GLN A 107 -9.958 0.141 4.340 1.00 0.00 O ATOM 671 CB GLN A 107 -12.783 0.796 3.483 1.00 0.00 C ATOM 672 CG GLN A 107 -14.287 0.847 3.410 1.00 0.00 C ATOM 673 CD GLN A 107 -14.848 2.239 3.623 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.511 3.175 2.897 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.712 2.383 4.621 1.00 0.00 N ATOM 0 H GLN A 107 -12.595 2.178 5.450 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.028 -0.528 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.377 1.800 3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.398 0.192 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.610 0.477 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.704 0.175 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.963 1.580 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.124 3.296 4.811 1.00 0.00 H new ATOM 684 N GLU A 108 -10.988 -1.780 4.887 1.00 0.00 N ATOM 685 CA GLU A 108 -9.776 -2.583 4.807 1.00 0.00 C ATOM 686 C GLU A 108 -9.547 -3.114 3.399 1.00 0.00 C ATOM 687 O GLU A 108 -10.494 -3.438 2.680 1.00 0.00 O ATOM 688 CB GLU A 108 -9.845 -3.739 5.802 1.00 0.00 C ATOM 689 CG GLU A 108 -10.021 -3.291 7.239 1.00 0.00 C ATOM 690 CD GLU A 108 -11.181 -3.981 7.933 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.040 -5.171 8.282 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.229 -3.330 8.125 1.00 0.00 O ATOM 0 H GLU A 108 -11.825 -2.304 5.141 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.933 -1.940 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.673 -4.393 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.933 -4.330 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.103 -3.490 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.180 -2.213 7.262 1.00 0.00 H new ATOM 699 N GLY A 109 -8.278 -3.202 3.013 1.00 0.00 N ATOM 700 CA GLY A 109 -7.933 -3.694 1.694 1.00 0.00 C ATOM 701 C GLY A 109 -6.451 -3.569 1.403 1.00 0.00 C ATOM 702 O GLY A 109 -5.694 -3.035 2.215 1.00 0.00 O ATOM 0 H GLY A 109 -7.481 -2.940 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.231 -4.739 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.496 -3.140 0.943 1.00 0.00 H new ATOM 706 N PHE A 110 -6.038 -4.060 0.243 1.00 0.00 N ATOM 707 CA PHE A 110 -4.646 -4.008 -0.164 1.00 0.00 C ATOM 708 C PHE A 110 -4.331 -2.668 -0.817 1.00 0.00 C ATOM 709 O PHE A 110 -5.209 -2.032 -1.395 1.00 0.00 O ATOM 710 CB PHE A 110 -4.357 -5.151 -1.132 1.00 0.00 C ATOM 711 CG PHE A 110 -3.764 -6.363 -0.471 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.297 -6.854 0.712 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.676 -7.013 -1.031 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.755 -7.969 1.321 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.130 -8.127 -0.426 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.670 -8.606 0.753 1.00 0.00 C ATOM 0 H PHE A 110 -6.656 -4.503 -0.437 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.013 -4.114 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.283 -5.436 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.674 -4.798 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.145 -6.359 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.250 -6.643 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.180 -8.342 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.282 -8.624 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.244 -9.477 1.229 1.00 0.00 H new ATOM 726 N ILE A 111 -3.081 -2.235 -0.718 1.00 0.00 N ATOM 727 CA ILE A 111 -2.685 -0.961 -1.298 1.00 0.00 C ATOM 728 C ILE A 111 -1.235 -0.973 -1.779 1.00 0.00 C ATOM 729 O ILE A 111 -0.356 -1.561 -1.147 1.00 0.00 O ATOM 730 CB ILE A 111 -2.862 0.191 -0.286 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.913 0.000 0.897 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.307 0.267 0.185 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.434 1.293 1.516 1.00 0.00 C ATOM 0 H ILE A 111 -2.332 -2.742 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.338 -0.802 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.617 1.133 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.416 -0.592 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.048 -0.575 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.415 1.084 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.960 0.443 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.583 -0.672 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.765 1.072 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.901 1.879 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.290 1.861 1.879 1.00 0.00 H new ATOM 745 N PRO A 112 -0.975 -0.296 -2.903 1.00 0.00 N ATOM 746 CA PRO A 112 0.359 -0.188 -3.480 1.00 0.00 C ATOM 747 C PRO A 112 1.376 0.289 -2.444 1.00 0.00 C ATOM 748 O PRO A 112 1.305 1.424 -1.972 1.00 0.00 O ATOM 749 CB PRO A 112 0.198 0.851 -4.603 1.00 0.00 C ATOM 750 CG PRO A 112 -1.168 1.430 -4.439 1.00 0.00 C ATOM 751 CD PRO A 112 -1.973 0.425 -3.683 1.00 0.00 C ATOM 0 HA PRO A 112 0.731 -1.147 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.961 1.626 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.309 0.386 -5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.125 2.376 -3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.620 1.637 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.713 0.904 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.515 -0.241 -4.354 1.00 0.00 H new ATOM 759 N PHE A 113 2.306 -0.587 -2.078 1.00 0.00 N ATOM 760 CA PHE A 113 3.322 -0.258 -1.078 1.00 0.00 C ATOM 761 C PHE A 113 4.058 1.041 -1.415 1.00 0.00 C ATOM 762 O PHE A 113 4.613 1.693 -0.530 1.00 0.00 O ATOM 763 CB PHE A 113 4.319 -1.415 -0.929 1.00 0.00 C ATOM 764 CG PHE A 113 5.419 -1.423 -1.959 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.138 -1.203 -3.299 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.733 -1.647 -1.583 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.147 -1.208 -4.242 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.747 -1.652 -2.522 1.00 0.00 C ATOM 769 CZ PHE A 113 7.454 -1.432 -3.853 1.00 0.00 C ATOM 0 H PHE A 113 2.379 -1.531 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 113 2.809 -0.105 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.767 -1.367 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.775 -2.358 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.119 -1.026 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.968 -1.820 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.915 -1.037 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.767 -1.828 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.245 -1.435 -4.589 1.00 0.00 H new ATOM 779 N ASN A 114 4.068 1.412 -2.692 1.00 0.00 N ATOM 780 CA ASN A 114 4.744 2.628 -3.125 1.00 0.00 C ATOM 781 C ASN A 114 3.747 3.758 -3.363 1.00 0.00 C ATOM 782 O ASN A 114 3.948 4.600 -4.240 1.00 0.00 O ATOM 783 CB ASN A 114 5.545 2.363 -4.401 1.00 0.00 C ATOM 784 CG ASN A 114 4.748 1.596 -5.438 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.525 1.486 -5.342 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.438 1.060 -6.437 1.00 0.00 N ATOM 0 H ASN A 114 3.617 0.889 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 114 5.425 2.934 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.869 3.313 -4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.445 1.802 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.956 0.532 -7.164 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.451 1.176 -6.477 1.00 0.00 H new ATOM 793 N PHE A 115 2.669 3.767 -2.587 1.00 0.00 N ATOM 794 CA PHE A 115 1.638 4.791 -2.725 1.00 0.00 C ATOM 795 C PHE A 115 1.461 5.602 -1.443 1.00 0.00 C ATOM 796 O PHE A 115 0.850 6.671 -1.464 1.00 0.00 O ATOM 797 CB PHE A 115 0.305 4.140 -3.084 1.00 0.00 C ATOM 798 CG PHE A 115 -0.309 4.677 -4.341 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.444 4.823 -5.493 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.643 5.035 -4.366 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.127 5.318 -6.650 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.219 5.530 -5.514 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.462 5.673 -6.660 1.00 0.00 C ATOM 0 H PHE A 115 2.486 3.079 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 115 1.959 5.468 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.453 3.066 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.393 4.283 -2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.488 4.547 -5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.241 4.925 -3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.469 5.427 -7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.263 5.807 -5.518 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.912 6.061 -7.562 1.00 0.00 H new ATOM 813 N VAL A 116 1.960 5.085 -0.325 1.00 0.00 N ATOM 814 CA VAL A 116 1.800 5.774 0.950 1.00 0.00 C ATOM 815 C VAL A 116 3.125 6.103 1.625 1.00 0.00 C ATOM 816 O VAL A 116 4.119 5.392 1.475 1.00 0.00 O ATOM 817 CB VAL A 116 0.944 4.943 1.922 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.496 4.889 1.443 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.515 3.540 2.088 1.00 0.00 C ATOM 0 H VAL A 116 2.472 4.204 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 116 1.300 6.714 0.714 1.00 0.00 H new ATOM 0 HB VAL A 116 0.964 5.428 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.090 4.298 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.900 5.900 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.534 4.430 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.892 2.973 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.533 3.038 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.529 3.604 2.482 1.00 0.00 H new ATOM 829 N ALA A 117 3.108 7.192 2.391 1.00 0.00 N ATOM 830 CA ALA A 117 4.272 7.651 3.132 1.00 0.00 C ATOM 831 C ALA A 117 3.846 8.082 4.533 1.00 0.00 C ATOM 832 O ALA A 117 2.782 8.673 4.704 1.00 0.00 O ATOM 833 CB ALA A 117 4.951 8.798 2.396 1.00 0.00 C ATOM 0 H ALA A 117 2.283 7.779 2.513 1.00 0.00 H new ATOM 0 HA ALA A 117 4.990 6.835 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.820 9.130 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.269 8.460 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.250 9.626 2.287 1.00 0.00 H new ATOM 839 N LYS A 118 4.667 7.769 5.534 1.00 0.00 N ATOM 840 CA LYS A 118 4.354 8.108 6.924 1.00 0.00 C ATOM 841 C LYS A 118 3.714 9.489 7.049 1.00 0.00 C ATOM 842 O LYS A 118 4.122 10.435 6.377 1.00 0.00 O ATOM 843 CB LYS A 118 5.621 8.051 7.782 1.00 0.00 C ATOM 844 CG LYS A 118 6.247 6.669 7.852 1.00 0.00 C ATOM 845 CD LYS A 118 5.209 5.612 8.185 1.00 0.00 C ATOM 846 CE LYS A 118 5.834 4.230 8.300 1.00 0.00 C ATOM 847 NZ LYS A 118 6.950 4.205 9.286 1.00 0.00 N ATOM 0 H LYS A 118 5.554 7.281 5.410 1.00 0.00 H new ATOM 0 HA LYS A 118 3.633 7.372 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.353 8.752 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.381 8.383 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.718 6.432 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.033 6.661 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.716 5.868 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.440 5.601 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.071 3.510 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.205 3.917 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.169 3.220 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.792 4.651 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.670 4.727 10.141 1.00 0.00 H new ATOM 861 N ALA A 119 2.708 9.592 7.919 1.00 0.00 N ATOM 862 CA ALA A 119 2.009 10.859 8.143 1.00 0.00 C ATOM 863 C ALA A 119 2.906 11.860 8.865 1.00 0.00 C ATOM 864 O ALA A 119 2.533 12.406 9.905 1.00 0.00 O ATOM 865 CB ALA A 119 0.723 10.641 8.938 1.00 0.00 C ATOM 0 H ALA A 119 2.359 8.814 8.480 1.00 0.00 H new ATOM 0 HA ALA A 119 1.749 11.268 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.223 11.597 9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.064 9.971 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.963 10.199 9.905 1.00 0.00 H new ATOM 871 N ASN A 120 4.089 12.098 8.311 1.00 0.00 N ATOM 872 CA ASN A 120 5.037 13.034 8.904 1.00 0.00 C ATOM 873 C ASN A 120 5.360 14.169 7.938 1.00 0.00 C ATOM 874 O ASN A 120 5.980 13.895 6.889 1.00 0.00 O ATOM 875 CB ASN A 120 6.323 12.307 9.301 1.00 0.00 C ATOM 876 CG ASN A 120 6.057 11.109 10.192 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.298 11.195 11.157 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.684 9.983 9.873 1.00 0.00 N ATOM 879 OXT ASN A 120 4.989 15.324 8.237 1.00 0.00 O ATOM 0 H ASN A 120 4.415 11.656 7.452 1.00 0.00 H new ATOM 0 HA ASN A 120 4.577 13.460 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.844 11.979 8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.985 13.001 9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.545 9.144 10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.305 9.956 9.064 1.00 0.00 H new TER 886 ASN A 120