USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=10 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= -1.1 USER MOD Set 1.2: A 107 GLN : amide:sc= -3.47! C(o=-4.6!,f=-7.2!) USER MOD Single : A 64 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.1!) USER MOD Single : A 70 HIS : no HE2:sc= -4.62 K(o=-4.6,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 72 TYR OH : rot 62:sc= 0.289! USER MOD Single : A 75 SER OG : rot 35:sc= 0.155 USER MOD Single : A 76 HIS : no HE2:sc= 0.0742 K(o=0.074,f=-0.62) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,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 USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= -2.3 (180deg=-6.63!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.115 USER MOD Single : A 104 THR OG1 : rot 126:sc= 0.926 USER MOD Single : A 114 ASN : amide:sc= -0.618 K(o=-0.62,f=-3.6!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 1.970 2.409 12.810 1.00 0.00 N ATOM 2 CA ASN A 64 2.385 2.020 11.466 1.00 0.00 C ATOM 3 C ASN A 64 1.521 2.726 10.439 1.00 0.00 C ATOM 4 O ASN A 64 1.269 2.196 9.356 1.00 0.00 O ATOM 5 CB ASN A 64 2.253 0.508 11.265 1.00 0.00 C ATOM 6 CG ASN A 64 3.488 -0.256 11.700 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.573 0.312 11.824 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.328 -1.554 11.929 1.00 0.00 N ATOM 0 HA ASN A 64 3.430 2.304 11.341 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.392 0.146 11.826 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.057 0.302 10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.123 -2.122 12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.410 -1.983 11.814 1.00 0.00 H new ATOM 15 N LEU A 65 1.045 3.912 10.787 1.00 0.00 N ATOM 16 CA LEU A 65 0.187 4.655 9.890 1.00 0.00 C ATOM 17 C LEU A 65 0.977 5.419 8.850 1.00 0.00 C ATOM 18 O LEU A 65 2.047 5.968 9.115 1.00 0.00 O ATOM 19 CB LEU A 65 -0.720 5.609 10.654 1.00 0.00 C ATOM 20 CG LEU A 65 -1.450 6.620 9.786 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.313 5.902 8.765 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.285 7.564 10.638 1.00 0.00 C ATOM 0 H LEU A 65 1.238 4.373 11.676 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.430 3.920 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.456 5.025 11.206 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.122 6.146 11.390 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.712 7.220 9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.832 6.635 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.684 5.276 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.044 5.279 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.798 8.278 9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.021 6.991 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.636 8.101 11.330 1.00 0.00 H new ATOM 34 N VAL A 66 0.414 5.438 7.662 1.00 0.00 N ATOM 35 CA VAL A 66 1.003 6.117 6.524 1.00 0.00 C ATOM 36 C VAL A 66 0.039 7.122 5.913 1.00 0.00 C ATOM 37 O VAL A 66 -1.072 7.321 6.402 1.00 0.00 O ATOM 38 CB VAL A 66 1.394 5.112 5.441 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.705 4.430 5.786 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.288 4.087 5.229 1.00 0.00 C ATOM 0 H VAL A 66 -0.473 4.979 7.455 1.00 0.00 H new ATOM 0 HA VAL A 66 1.886 6.640 6.891 1.00 0.00 H new ATOM 0 HB VAL A 66 1.533 5.657 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.963 3.719 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.493 5.178 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.602 3.902 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.589 3.382 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.108 3.548 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.626 4.596 4.922 1.00 0.00 H new ATOM 50 N ILE A 67 0.470 7.743 4.827 1.00 0.00 N ATOM 51 CA ILE A 67 -0.351 8.714 4.128 1.00 0.00 C ATOM 52 C ILE A 67 -0.111 8.640 2.628 1.00 0.00 C ATOM 53 O ILE A 67 1.023 8.718 2.160 1.00 0.00 O ATOM 54 CB ILE A 67 -0.125 10.153 4.652 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.341 10.565 5.471 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.112 11.139 3.512 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.394 12.028 5.847 1.00 0.00 C ATOM 0 H ILE A 67 1.388 7.590 4.410 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.392 8.460 4.327 1.00 0.00 H new ATOM 0 HB ILE A 67 0.770 10.168 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.240 10.318 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.364 9.970 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.266 12.138 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.995 10.838 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.755 11.147 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.296 12.222 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.517 12.283 6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.408 12.636 4.942 1.00 0.00 H new ATOM 69 N ALA A 68 -1.195 8.482 1.886 1.00 0.00 N ATOM 70 CA ALA A 68 -1.117 8.385 0.434 1.00 0.00 C ATOM 71 C ALA A 68 -0.449 9.611 -0.169 1.00 0.00 C ATOM 72 O ALA A 68 -0.566 10.720 0.355 1.00 0.00 O ATOM 73 CB ALA A 68 -2.499 8.184 -0.163 1.00 0.00 C ATOM 0 H ALA A 68 -2.140 8.418 2.263 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.503 7.518 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.420 8.114 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.935 7.265 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.136 9.029 0.101 1.00 0.00 H new ATOM 79 N LEU A 69 0.253 9.401 -1.275 1.00 0.00 N ATOM 80 CA LEU A 69 0.947 10.482 -1.959 1.00 0.00 C ATOM 81 C LEU A 69 0.145 10.965 -3.167 1.00 0.00 C ATOM 82 O LEU A 69 0.304 12.101 -3.613 1.00 0.00 O ATOM 83 CB LEU A 69 2.338 10.018 -2.391 1.00 0.00 C ATOM 84 CG LEU A 69 3.334 9.809 -1.244 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.717 9.461 -1.779 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.400 11.050 -0.365 1.00 0.00 C ATOM 0 H LEU A 69 0.356 8.488 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 69 1.052 11.319 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.238 9.082 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.751 10.752 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 69 2.985 8.972 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.404 9.318 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.660 8.543 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.077 10.273 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.111 10.885 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.722 11.903 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.414 11.252 0.054 1.00 0.00 H new ATOM 98 N HIS A 70 -0.726 10.100 -3.684 1.00 0.00 N ATOM 99 CA HIS A 70 -1.559 10.446 -4.832 1.00 0.00 C ATOM 100 C HIS A 70 -2.929 9.783 -4.726 1.00 0.00 C ATOM 101 O HIS A 70 -3.231 9.110 -3.740 1.00 0.00 O ATOM 102 CB HIS A 70 -0.888 10.037 -6.150 1.00 0.00 C ATOM 103 CG HIS A 70 0.101 8.919 -6.024 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.054 7.704 -6.656 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.266 8.841 -5.343 1.00 0.00 C ATOM 106 CE1 HIS A 70 0.973 6.924 -6.365 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.789 7.591 -5.570 1.00 0.00 N ATOM 0 H HIS A 70 -0.872 9.156 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.686 11.529 -4.828 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.661 9.743 -6.860 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.383 10.906 -6.571 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.839 7.447 -7.255 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.704 9.617 -4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.119 5.914 -6.717 1.00 0.00 H new ATOM 116 N SER A 71 -3.753 9.973 -5.754 1.00 0.00 N ATOM 117 CA SER A 71 -5.088 9.389 -5.781 1.00 0.00 C ATOM 118 C SER A 71 -5.020 7.941 -6.248 1.00 0.00 C ATOM 119 O SER A 71 -4.469 7.647 -7.309 1.00 0.00 O ATOM 120 CB SER A 71 -6.006 10.192 -6.703 1.00 0.00 C ATOM 121 OG SER A 71 -5.557 11.530 -6.831 1.00 0.00 O ATOM 0 H SER A 71 -3.518 10.527 -6.578 1.00 0.00 H new ATOM 0 HA SER A 71 -5.496 9.417 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.041 9.722 -7.686 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.022 10.182 -6.308 1.00 0.00 H new ATOM 0 HG SER A 71 -6.160 12.022 -7.427 1.00 0.00 H new ATOM 127 N TYR A 72 -5.566 7.034 -5.446 1.00 0.00 N ATOM 128 CA TYR A 72 -5.542 5.612 -5.788 1.00 0.00 C ATOM 129 C TYR A 72 -6.895 5.105 -6.277 1.00 0.00 C ATOM 130 O TYR A 72 -7.948 5.548 -5.817 1.00 0.00 O ATOM 131 CB TYR A 72 -5.106 4.771 -4.590 1.00 0.00 C ATOM 132 CG TYR A 72 -4.899 3.312 -4.933 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.163 2.938 -6.050 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.447 2.309 -4.145 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.981 1.607 -6.371 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.266 0.976 -4.458 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.533 0.630 -5.572 1.00 0.00 C ATOM 138 OH TYR A 72 -4.356 -0.695 -5.891 1.00 0.00 O ATOM 0 H TYR A 72 -6.027 7.252 -4.563 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.823 5.508 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.179 5.178 -4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.858 4.850 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.726 3.700 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.025 2.576 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.408 1.333 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.697 0.208 -3.832 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.400 -0.911 -5.874 1.00 0.00 H new ATOM 148 N GLU A 73 -6.843 4.151 -7.202 1.00 0.00 N ATOM 149 CA GLU A 73 -8.033 3.540 -7.759 1.00 0.00 C ATOM 150 C GLU A 73 -7.849 2.024 -7.852 1.00 0.00 C ATOM 151 O GLU A 73 -7.296 1.510 -8.825 1.00 0.00 O ATOM 152 CB GLU A 73 -8.323 4.120 -9.126 1.00 0.00 C ATOM 153 CG GLU A 73 -9.637 4.873 -9.193 1.00 0.00 C ATOM 154 CD GLU A 73 -9.766 5.716 -10.446 1.00 0.00 C ATOM 155 OE1 GLU A 73 -10.241 5.185 -11.472 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.391 6.906 -10.403 1.00 0.00 O ATOM 0 H GLU A 73 -5.971 3.783 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.879 3.750 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.512 4.792 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.337 3.314 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.461 4.161 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.728 5.515 -8.317 1.00 0.00 H new ATOM 163 N PRO A 74 -8.307 1.299 -6.824 1.00 0.00 N ATOM 164 CA PRO A 74 -8.208 -0.155 -6.733 1.00 0.00 C ATOM 165 C PRO A 74 -8.415 -0.860 -8.069 1.00 0.00 C ATOM 166 O PRO A 74 -9.470 -0.742 -8.693 1.00 0.00 O ATOM 167 CB PRO A 74 -9.324 -0.530 -5.744 1.00 0.00 C ATOM 168 CG PRO A 74 -9.932 0.762 -5.287 1.00 0.00 C ATOM 169 CD PRO A 74 -8.959 1.846 -5.649 1.00 0.00 C ATOM 0 HA PRO A 74 -7.212 -0.465 -6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.071 -1.164 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.923 -1.091 -4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.895 0.929 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.112 0.746 -4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.462 2.788 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.250 2.041 -4.844 1.00 0.00 H new ATOM 177 N SER A 75 -7.398 -1.599 -8.496 1.00 0.00 N ATOM 178 CA SER A 75 -7.454 -2.338 -9.751 1.00 0.00 C ATOM 179 C SER A 75 -7.346 -3.839 -9.494 1.00 0.00 C ATOM 180 O SER A 75 -7.961 -4.644 -10.193 1.00 0.00 O ATOM 181 CB SER A 75 -6.333 -1.885 -10.686 1.00 0.00 C ATOM 182 OG SER A 75 -6.424 -0.497 -10.958 1.00 0.00 O ATOM 0 H SER A 75 -6.520 -1.702 -7.988 1.00 0.00 H new ATOM 0 HA SER A 75 -8.413 -2.133 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.366 -2.107 -10.234 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.385 -2.446 -11.619 1.00 0.00 H new ATOM 0 HG SER A 75 -6.751 -0.028 -10.162 1.00 0.00 H new ATOM 188 N HIS A 76 -6.561 -4.206 -8.485 1.00 0.00 N ATOM 189 CA HIS A 76 -6.373 -5.609 -8.130 1.00 0.00 C ATOM 190 C HIS A 76 -7.498 -6.093 -7.219 1.00 0.00 C ATOM 191 O HIS A 76 -8.296 -5.296 -6.727 1.00 0.00 O ATOM 192 CB HIS A 76 -5.019 -5.806 -7.443 1.00 0.00 C ATOM 193 CG HIS A 76 -3.918 -6.177 -8.387 1.00 0.00 C ATOM 194 ND1 HIS A 76 -2.975 -5.275 -8.834 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.612 -7.359 -8.972 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.138 -5.887 -9.653 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.502 -7.151 -9.752 1.00 0.00 N ATOM 0 H HIS A 76 -6.045 -3.551 -7.898 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.394 -6.198 -9.047 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.747 -4.887 -6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.115 -6.584 -6.686 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -2.931 -4.290 -8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.142 -8.292 -8.848 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.299 -5.430 -10.156 1.00 0.00 H new ATOM 206 N ASP A 77 -7.555 -7.402 -6.999 1.00 0.00 N ATOM 207 CA ASP A 77 -8.583 -7.989 -6.145 1.00 0.00 C ATOM 208 C ASP A 77 -8.231 -7.809 -4.671 1.00 0.00 C ATOM 209 O ASP A 77 -7.063 -7.879 -4.290 1.00 0.00 O ATOM 210 CB ASP A 77 -8.753 -9.476 -6.463 1.00 0.00 C ATOM 211 CG ASP A 77 -7.439 -10.230 -6.418 1.00 0.00 C ATOM 212 OD1 ASP A 77 -6.955 -10.515 -5.302 1.00 0.00 O ATOM 213 OD2 ASP A 77 -6.892 -10.537 -7.499 1.00 0.00 O ATOM 0 H ASP A 77 -6.903 -8.076 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.523 -7.474 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.448 -9.920 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.198 -9.585 -7.452 1.00 0.00 H new ATOM 218 N GLY A 78 -9.247 -7.575 -3.847 1.00 0.00 N ATOM 219 CA GLY A 78 -9.016 -7.387 -2.427 1.00 0.00 C ATOM 220 C GLY A 78 -8.146 -6.183 -2.140 1.00 0.00 C ATOM 221 O GLY A 78 -7.333 -6.203 -1.217 1.00 0.00 O ATOM 0 H GLY A 78 -10.223 -7.512 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.973 -7.270 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.544 -8.280 -2.017 1.00 0.00 H new ATOM 225 N ASP A 79 -8.314 -5.128 -2.934 1.00 0.00 N ATOM 226 CA ASP A 79 -7.532 -3.914 -2.759 1.00 0.00 C ATOM 227 C ASP A 79 -8.359 -2.816 -2.107 1.00 0.00 C ATOM 228 O ASP A 79 -9.588 -2.810 -2.194 1.00 0.00 O ATOM 229 CB ASP A 79 -6.994 -3.430 -4.105 1.00 0.00 C ATOM 230 CG ASP A 79 -5.970 -4.382 -4.688 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.288 -5.580 -4.834 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.849 -3.928 -4.997 1.00 0.00 O ATOM 0 H ASP A 79 -8.984 -5.092 -3.702 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.695 -4.148 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.821 -3.316 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.543 -2.445 -3.981 1.00 0.00 H new ATOM 237 N LEU A 80 -7.673 -1.886 -1.458 1.00 0.00 N ATOM 238 CA LEU A 80 -8.328 -0.773 -0.788 1.00 0.00 C ATOM 239 C LEU A 80 -8.009 0.534 -1.507 1.00 0.00 C ATOM 240 O LEU A 80 -6.844 0.858 -1.737 1.00 0.00 O ATOM 241 CB LEU A 80 -7.882 -0.708 0.681 1.00 0.00 C ATOM 242 CG LEU A 80 -7.895 0.679 1.328 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.304 1.063 1.756 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.949 0.716 2.517 1.00 0.00 C ATOM 0 H LEU A 80 -6.656 -1.881 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.407 -0.925 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.527 -1.365 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.871 -1.110 0.751 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.555 1.405 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.288 2.052 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.958 1.076 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.676 0.336 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.969 1.709 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.262 -0.023 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.936 0.489 2.184 1.00 0.00 H new ATOM 256 N GLY A 81 -9.048 1.283 -1.853 1.00 0.00 N ATOM 257 CA GLY A 81 -8.846 2.547 -2.532 1.00 0.00 C ATOM 258 C GLY A 81 -8.798 3.708 -1.566 1.00 0.00 C ATOM 259 O GLY A 81 -9.505 3.714 -0.557 1.00 0.00 O ATOM 0 H GLY A 81 -10.023 1.039 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.916 2.509 -3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.651 2.706 -3.250 1.00 0.00 H new ATOM 263 N PHE A 82 -7.960 4.687 -1.867 1.00 0.00 N ATOM 264 CA PHE A 82 -7.820 5.854 -1.012 1.00 0.00 C ATOM 265 C PHE A 82 -7.558 7.101 -1.835 1.00 0.00 C ATOM 266 O PHE A 82 -7.479 7.044 -3.063 1.00 0.00 O ATOM 267 CB PHE A 82 -6.682 5.646 -0.013 1.00 0.00 C ATOM 268 CG PHE A 82 -5.490 4.934 -0.591 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.550 3.584 -0.899 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.310 5.617 -0.828 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.455 2.931 -1.432 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.210 4.968 -1.361 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.284 3.624 -1.663 1.00 0.00 C ATOM 0 H PHE A 82 -7.367 4.696 -2.697 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.755 5.987 -0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.364 6.616 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.057 5.076 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.463 3.036 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.247 6.669 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.515 1.879 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.295 5.513 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.427 3.115 -2.079 1.00 0.00 H new ATOM 283 N GLU A 83 -7.430 8.229 -1.153 1.00 0.00 N ATOM 284 CA GLU A 83 -7.184 9.493 -1.823 1.00 0.00 C ATOM 285 C GLU A 83 -5.768 9.987 -1.552 1.00 0.00 C ATOM 286 O GLU A 83 -5.030 9.390 -0.768 1.00 0.00 O ATOM 287 CB GLU A 83 -8.199 10.527 -1.342 1.00 0.00 C ATOM 288 CG GLU A 83 -9.278 10.836 -2.363 1.00 0.00 C ATOM 289 CD GLU A 83 -9.517 12.324 -2.532 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.181 12.921 -1.658 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.041 12.892 -3.537 1.00 0.00 O ATOM 0 H GLU A 83 -7.493 8.293 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.291 9.346 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.668 10.165 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.675 11.449 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.996 10.406 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.208 10.355 -2.059 1.00 0.00 H new ATOM 298 N LYS A 84 -5.399 11.088 -2.191 1.00 0.00 N ATOM 299 CA LYS A 84 -4.081 11.669 -1.996 1.00 0.00 C ATOM 300 C LYS A 84 -4.032 12.345 -0.630 1.00 0.00 C ATOM 301 O LYS A 84 -4.945 13.086 -0.262 1.00 0.00 O ATOM 302 CB LYS A 84 -3.766 12.655 -3.125 1.00 0.00 C ATOM 303 CG LYS A 84 -2.723 13.706 -2.771 1.00 0.00 C ATOM 304 CD LYS A 84 -2.923 14.981 -3.572 1.00 0.00 C ATOM 305 CE LYS A 84 -1.958 15.065 -4.744 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.069 16.254 -4.647 1.00 0.00 N ATOM 0 H LYS A 84 -5.993 11.595 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.321 10.888 -2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.419 12.095 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.687 13.159 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.779 13.932 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.726 13.309 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.948 15.022 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.783 15.845 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.351 14.160 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.522 15.108 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.427 16.275 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.646 17.119 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.512 16.200 -3.770 1.00 0.00 H new ATOM 320 N GLY A 85 -2.988 12.053 0.134 1.00 0.00 N ATOM 321 CA GLY A 85 -2.872 12.611 1.471 1.00 0.00 C ATOM 322 C GLY A 85 -3.700 11.825 2.471 1.00 0.00 C ATOM 323 O GLY A 85 -3.585 12.030 3.679 1.00 0.00 O ATOM 0 H GLY A 85 -2.220 11.442 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.826 12.608 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.199 13.651 1.463 1.00 0.00 H new ATOM 327 N GLU A 86 -4.524 10.905 1.963 1.00 0.00 N ATOM 328 CA GLU A 86 -5.355 10.070 2.809 1.00 0.00 C ATOM 329 C GLU A 86 -4.484 9.283 3.766 1.00 0.00 C ATOM 330 O GLU A 86 -3.274 9.190 3.577 1.00 0.00 O ATOM 331 CB GLU A 86 -6.172 9.101 1.947 1.00 0.00 C ATOM 332 CG GLU A 86 -7.595 8.831 2.419 1.00 0.00 C ATOM 333 CD GLU A 86 -8.023 9.654 3.621 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.302 10.859 3.448 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.080 9.092 4.735 1.00 0.00 O ATOM 0 H GLU A 86 -4.628 10.725 0.964 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.034 10.706 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.215 9.496 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.639 8.151 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.282 9.028 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.689 7.773 2.666 1.00 0.00 H new ATOM 342 N GLN A 87 -5.099 8.710 4.782 1.00 0.00 N ATOM 343 CA GLN A 87 -4.360 7.928 5.756 1.00 0.00 C ATOM 344 C GLN A 87 -4.928 6.528 5.882 1.00 0.00 C ATOM 345 O GLN A 87 -6.132 6.309 5.757 1.00 0.00 O ATOM 346 CB GLN A 87 -4.353 8.613 7.118 1.00 0.00 C ATOM 347 CG GLN A 87 -4.092 10.105 7.040 1.00 0.00 C ATOM 348 CD GLN A 87 -4.929 10.900 8.022 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.973 11.447 7.664 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.475 10.969 9.268 1.00 0.00 N ATOM 0 H GLN A 87 -6.102 8.770 4.955 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.333 7.852 5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.313 8.445 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.591 8.151 7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.036 10.295 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.299 10.453 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.605 10.500 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.996 11.491 9.973 1.00 0.00 H new ATOM 359 N LEU A 88 -4.035 5.592 6.129 1.00 0.00 N ATOM 360 CA LEU A 88 -4.399 4.192 6.282 1.00 0.00 C ATOM 361 C LEU A 88 -3.499 3.525 7.295 1.00 0.00 C ATOM 362 O LEU A 88 -2.274 3.586 7.190 1.00 0.00 O ATOM 363 CB LEU A 88 -4.286 3.435 4.958 1.00 0.00 C ATOM 364 CG LEU A 88 -4.484 4.264 3.691 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.391 3.949 2.682 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.857 3.994 3.103 1.00 0.00 C ATOM 0 H LEU A 88 -3.037 5.776 6.230 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.435 4.163 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.302 2.969 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.021 2.630 4.959 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.420 5.322 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.543 4.546 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.418 4.184 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.427 2.890 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.989 4.589 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.946 2.936 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.623 4.262 3.830 1.00 0.00 H new ATOM 378 N ARG A 89 -4.108 2.871 8.261 1.00 0.00 N ATOM 379 CA ARG A 89 -3.363 2.174 9.274 1.00 0.00 C ATOM 380 C ARG A 89 -2.896 0.838 8.711 1.00 0.00 C ATOM 381 O ARG A 89 -3.682 -0.093 8.549 1.00 0.00 O ATOM 382 CB ARG A 89 -4.225 1.985 10.510 1.00 0.00 C ATOM 383 CG ARG A 89 -3.645 0.997 11.482 1.00 0.00 C ATOM 384 CD ARG A 89 -4.448 0.949 12.763 1.00 0.00 C ATOM 385 NE ARG A 89 -3.674 0.408 13.874 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.213 -0.139 14.962 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.532 -0.214 15.092 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.431 -0.613 15.923 1.00 0.00 N ATOM 0 H ARG A 89 -5.121 2.811 8.362 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.488 2.754 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.352 2.946 11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.217 1.650 10.207 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.623 0.007 11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.613 1.268 11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.790 1.953 13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.338 0.338 12.610 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.657 0.451 13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.138 0.148 14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.939 -0.634 15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.417 -0.558 15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.844 -1.032 16.756 1.00 0.00 H new ATOM 402 N ILE A 90 -1.619 0.776 8.384 1.00 0.00 N ATOM 403 CA ILE A 90 -1.032 -0.417 7.794 1.00 0.00 C ATOM 404 C ILE A 90 -1.168 -1.634 8.693 1.00 0.00 C ATOM 405 O ILE A 90 -0.542 -1.725 9.751 1.00 0.00 O ATOM 406 CB ILE A 90 0.454 -0.200 7.437 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.624 1.092 6.640 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.993 -1.376 6.643 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.047 1.064 5.283 1.00 0.00 C ATOM 0 H ILE A 90 -0.961 1.544 8.518 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.593 -0.608 6.879 1.00 0.00 H new ATOM 0 HB ILE A 90 1.020 -0.121 8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.218 1.921 7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.688 1.288 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.042 -1.202 6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.903 -2.287 7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.422 -1.485 5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.117 2.015 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.375 0.257 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.117 0.900 5.410 1.00 0.00 H new ATOM 421 N LEU A 91 -1.975 -2.579 8.234 1.00 0.00 N ATOM 422 CA LEU A 91 -2.199 -3.825 8.945 1.00 0.00 C ATOM 423 C LEU A 91 -1.025 -4.748 8.679 1.00 0.00 C ATOM 424 O LEU A 91 -0.439 -5.327 9.593 1.00 0.00 O ATOM 425 CB LEU A 91 -3.498 -4.459 8.456 1.00 0.00 C ATOM 426 CG LEU A 91 -4.665 -3.477 8.326 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.907 -4.160 7.782 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.956 -2.812 9.665 1.00 0.00 C ATOM 0 H LEU A 91 -2.492 -2.502 7.358 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.283 -3.645 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.320 -4.924 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.782 -5.255 9.144 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.374 -2.706 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.716 -3.434 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.693 -4.574 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.205 -4.963 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.788 -2.117 9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.215 -3.573 10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.073 -2.269 10.001 1.00 0.00 H new ATOM 440 N GLU A 92 -0.677 -4.839 7.406 1.00 0.00 N ATOM 441 CA GLU A 92 0.446 -5.643 6.961 1.00 0.00 C ATOM 442 C GLU A 92 1.152 -4.935 5.816 1.00 0.00 C ATOM 443 O GLU A 92 0.550 -4.120 5.119 1.00 0.00 O ATOM 444 CB GLU A 92 -0.007 -7.037 6.540 1.00 0.00 C ATOM 445 CG GLU A 92 0.554 -8.125 7.435 1.00 0.00 C ATOM 446 CD GLU A 92 -0.524 -8.874 8.194 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.484 -8.224 8.659 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.407 -10.111 8.325 1.00 0.00 O ATOM 0 H GLU A 92 -1.167 -4.356 6.652 1.00 0.00 H new ATOM 0 HA GLU A 92 1.142 -5.764 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.096 -7.082 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.303 -7.221 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.123 -8.831 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.251 -7.681 8.146 1.00 0.00 H new ATOM 455 N GLN A 93 2.434 -5.217 5.638 1.00 0.00 N ATOM 456 CA GLN A 93 3.202 -4.565 4.591 1.00 0.00 C ATOM 457 C GLN A 93 4.129 -5.538 3.878 1.00 0.00 C ATOM 458 O GLN A 93 5.250 -5.187 3.509 1.00 0.00 O ATOM 459 CB GLN A 93 3.999 -3.409 5.183 1.00 0.00 C ATOM 460 CG GLN A 93 4.316 -3.610 6.639 1.00 0.00 C ATOM 461 CD GLN A 93 5.085 -2.452 7.246 1.00 0.00 C ATOM 462 OE1 GLN A 93 6.264 -2.255 6.954 1.00 0.00 O ATOM 463 NE2 GLN A 93 4.420 -1.680 8.097 1.00 0.00 N ATOM 0 H GLN A 93 2.959 -5.887 6.200 1.00 0.00 H new ATOM 0 HA GLN A 93 2.502 -4.183 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.928 -3.290 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.435 -2.484 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.387 -3.750 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.897 -4.525 6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.443 -1.880 8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.886 -0.887 8.537 1.00 0.00 H new ATOM 472 N SER A 94 3.652 -6.757 3.672 1.00 0.00 N ATOM 473 CA SER A 94 4.438 -7.770 2.990 1.00 0.00 C ATOM 474 C SER A 94 4.286 -7.629 1.481 1.00 0.00 C ATOM 475 O SER A 94 3.173 -7.522 0.965 1.00 0.00 O ATOM 476 CB SER A 94 4.013 -9.167 3.443 1.00 0.00 C ATOM 477 OG SER A 94 3.732 -10.015 2.341 1.00 0.00 O ATOM 0 H SER A 94 2.726 -7.066 3.967 1.00 0.00 H new ATOM 0 HA SER A 94 5.488 -7.629 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.804 -9.609 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.130 -9.091 4.077 1.00 0.00 H new ATOM 0 HG SER A 94 3.465 -10.899 2.668 1.00 0.00 H new ATOM 483 N GLY A 95 5.412 -7.630 0.781 1.00 0.00 N ATOM 484 CA GLY A 95 5.379 -7.502 -0.663 1.00 0.00 C ATOM 485 C GLY A 95 5.029 -6.111 -1.126 1.00 0.00 C ATOM 486 O GLY A 95 4.560 -5.278 -0.349 1.00 0.00 O ATOM 0 H GLY A 95 6.345 -7.717 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.352 -7.779 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.652 -8.207 -1.068 1.00 0.00 H new ATOM 490 N GLU A 96 5.258 -5.870 -2.408 1.00 0.00 N ATOM 491 CA GLU A 96 4.972 -4.587 -3.029 1.00 0.00 C ATOM 492 C GLU A 96 3.579 -4.072 -2.648 1.00 0.00 C ATOM 493 O GLU A 96 3.307 -2.876 -2.741 1.00 0.00 O ATOM 494 CB GLU A 96 5.103 -4.729 -4.541 1.00 0.00 C ATOM 495 CG GLU A 96 4.071 -3.943 -5.289 1.00 0.00 C ATOM 496 CD GLU A 96 4.290 -3.944 -6.790 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.444 -3.741 -7.220 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.307 -4.147 -7.533 1.00 0.00 O ATOM 0 H GLU A 96 5.649 -6.561 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 96 5.691 -3.852 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.096 -4.400 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.018 -5.782 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.084 -4.352 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.075 -2.914 -4.928 1.00 0.00 H new ATOM 505 N TRP A 97 2.698 -4.972 -2.228 1.00 0.00 N ATOM 506 CA TRP A 97 1.347 -4.589 -1.842 1.00 0.00 C ATOM 507 C TRP A 97 1.166 -4.693 -0.330 1.00 0.00 C ATOM 508 O TRP A 97 1.352 -5.760 0.256 1.00 0.00 O ATOM 509 CB TRP A 97 0.333 -5.467 -2.566 1.00 0.00 C ATOM 510 CG TRP A 97 0.190 -5.111 -4.014 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.938 -5.582 -5.055 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.751 -4.193 -4.579 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.522 -5.008 -6.232 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.514 -4.152 -5.966 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.770 -3.403 -4.046 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.261 -3.348 -6.824 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.508 -2.606 -4.896 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.251 -2.582 -6.272 1.00 0.00 C ATOM 0 H TRP A 97 2.895 -5.969 -2.146 1.00 0.00 H new ATOM 0 HA TRP A 97 1.182 -3.550 -2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.636 -6.511 -2.481 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.636 -5.375 -2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.739 -6.301 -4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.920 -5.190 -7.154 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.977 -3.415 -2.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.066 -3.330 -7.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.298 -1.990 -4.493 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.846 -1.946 -6.910 1.00 0.00 H new ATOM 529 N TRP A 98 0.818 -3.572 0.301 1.00 0.00 N ATOM 530 CA TRP A 98 0.630 -3.533 1.747 1.00 0.00 C ATOM 531 C TRP A 98 -0.839 -3.505 2.136 1.00 0.00 C ATOM 532 O TRP A 98 -1.656 -2.853 1.487 1.00 0.00 O ATOM 533 CB TRP A 98 1.318 -2.306 2.335 1.00 0.00 C ATOM 534 CG TRP A 98 2.812 -2.379 2.286 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.569 -3.365 1.729 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.725 -1.425 2.825 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.904 -3.084 1.894 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.025 -1.893 2.563 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.563 -0.221 3.504 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.160 -1.191 2.959 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.687 0.479 3.897 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.973 -0.007 3.623 1.00 0.00 C ATOM 0 H TRP A 98 0.661 -2.680 -0.168 1.00 0.00 H new ATOM 0 HA TRP A 98 1.072 -4.445 2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.987 -1.420 1.794 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.002 -2.183 3.371 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.177 -4.239 1.231 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.678 -3.666 1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.576 0.159 3.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.151 -1.566 2.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.573 1.415 4.423 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.833 0.563 3.941 1.00 0.00 H new ATOM 553 N LYS A 99 -1.159 -4.191 3.226 1.00 0.00 N ATOM 554 CA LYS A 99 -2.516 -4.222 3.741 1.00 0.00 C ATOM 555 C LYS A 99 -2.716 -3.055 4.697 1.00 0.00 C ATOM 556 O LYS A 99 -2.089 -3.001 5.752 1.00 0.00 O ATOM 557 CB LYS A 99 -2.786 -5.542 4.470 1.00 0.00 C ATOM 558 CG LYS A 99 -4.158 -5.615 5.123 1.00 0.00 C ATOM 559 CD LYS A 99 -5.206 -4.924 4.283 1.00 0.00 C ATOM 560 CE LYS A 99 -6.607 -5.375 4.657 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.298 -6.053 3.525 1.00 0.00 N ATOM 0 H LYS A 99 -0.491 -4.735 3.771 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.214 -4.140 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.687 -6.364 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.022 -5.687 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.437 -6.658 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.118 -5.153 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.124 -3.845 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.025 -5.133 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.554 -6.054 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.193 -4.512 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.271 -5.695 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.787 -5.859 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.319 -7.079 3.695 1.00 0.00 H new ATOM 575 N ALA A 100 -3.575 -2.116 4.324 1.00 0.00 N ATOM 576 CA ALA A 100 -3.822 -0.955 5.165 1.00 0.00 C ATOM 577 C ALA A 100 -5.277 -0.847 5.562 1.00 0.00 C ATOM 578 O ALA A 100 -6.174 -1.162 4.782 1.00 0.00 O ATOM 579 CB ALA A 100 -3.395 0.323 4.456 1.00 0.00 C ATOM 0 H ALA A 100 -4.107 -2.135 3.454 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.229 -1.086 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.588 1.179 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.330 0.274 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.960 0.432 3.530 1.00 0.00 H new ATOM 585 N GLN A 101 -5.507 -0.359 6.770 1.00 0.00 N ATOM 586 CA GLN A 101 -6.853 -0.159 7.253 1.00 0.00 C ATOM 587 C GLN A 101 -7.111 1.329 7.327 1.00 0.00 C ATOM 588 O GLN A 101 -6.531 2.031 8.156 1.00 0.00 O ATOM 589 CB GLN A 101 -7.064 -0.804 8.621 1.00 0.00 C ATOM 590 CG GLN A 101 -8.400 -0.464 9.239 1.00 0.00 C ATOM 591 CD GLN A 101 -8.460 -0.771 10.721 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.956 -1.822 11.131 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.954 0.147 11.536 1.00 0.00 N ATOM 0 H GLN A 101 -4.775 -0.096 7.430 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.554 -0.635 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.982 -1.886 8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.268 -0.484 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.607 0.595 9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.184 -1.021 8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.553 1.003 11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.966 -0.004 12.545 1.00 0.00 H new ATOM 602 N SER A 102 -7.976 1.810 6.456 1.00 0.00 N ATOM 603 CA SER A 102 -8.303 3.215 6.415 1.00 0.00 C ATOM 604 C SER A 102 -8.651 3.710 7.810 1.00 0.00 C ATOM 605 O SER A 102 -8.819 2.915 8.734 1.00 0.00 O ATOM 606 CB SER A 102 -9.455 3.427 5.447 1.00 0.00 C ATOM 607 OG SER A 102 -9.033 4.128 4.290 1.00 0.00 O ATOM 0 H SER A 102 -8.466 1.242 5.765 1.00 0.00 H new ATOM 0 HA SER A 102 -7.445 3.789 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.872 2.462 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.251 3.983 5.942 1.00 0.00 H new ATOM 0 HG SER A 102 -9.794 4.248 3.685 1.00 0.00 H new ATOM 613 N LEU A 103 -8.728 5.017 7.973 1.00 0.00 N ATOM 614 CA LEU A 103 -9.033 5.583 9.279 1.00 0.00 C ATOM 615 C LEU A 103 -10.224 6.525 9.229 1.00 0.00 C ATOM 616 O LEU A 103 -10.906 6.733 10.233 1.00 0.00 O ATOM 617 CB LEU A 103 -7.803 6.276 9.830 1.00 0.00 C ATOM 618 CG LEU A 103 -6.732 5.300 10.319 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.678 5.112 9.249 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.104 5.757 11.623 1.00 0.00 C ATOM 0 H LEU A 103 -8.586 5.701 7.230 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.313 4.770 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.377 6.916 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.098 6.925 10.654 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.214 4.342 10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.919 4.416 9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.142 4.713 8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.213 6.072 9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.349 5.036 11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.638 6.732 11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.874 5.832 12.391 1.00 0.00 H new ATOM 632 N THR A 104 -10.494 7.068 8.055 1.00 0.00 N ATOM 633 CA THR A 104 -11.625 7.953 7.876 1.00 0.00 C ATOM 634 C THR A 104 -12.876 7.119 7.653 1.00 0.00 C ATOM 635 O THR A 104 -13.956 7.417 8.165 1.00 0.00 O ATOM 636 CB THR A 104 -11.380 8.862 6.680 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.017 9.245 6.608 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.205 10.111 6.730 1.00 0.00 C ATOM 0 H THR A 104 -9.943 6.909 7.212 1.00 0.00 H new ATOM 0 HA THR A 104 -11.756 8.571 8.764 1.00 0.00 H new ATOM 0 HB THR A 104 -11.665 8.283 5.802 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.660 9.020 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.992 10.723 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.263 9.848 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.962 10.672 7.633 1.00 0.00 H new ATOM 646 N THR A 105 -12.688 6.060 6.885 1.00 0.00 N ATOM 647 CA THR A 105 -13.737 5.114 6.548 1.00 0.00 C ATOM 648 C THR A 105 -13.468 3.790 7.247 1.00 0.00 C ATOM 649 O THR A 105 -14.373 3.079 7.680 1.00 0.00 O ATOM 650 CB THR A 105 -13.727 4.897 5.043 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.896 3.803 4.695 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.241 6.102 4.268 1.00 0.00 C ATOM 0 H THR A 105 -11.785 5.829 6.470 1.00 0.00 H new ATOM 0 HA THR A 105 -14.705 5.501 6.867 1.00 0.00 H new ATOM 0 HB THR A 105 -14.766 4.704 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.519 3.950 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.259 5.880 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.891 6.953 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.222 6.343 4.571 1.00 0.00 H new ATOM 660 N GLY A 106 -12.185 3.496 7.328 1.00 0.00 N ATOM 661 CA GLY A 106 -11.685 2.295 7.939 1.00 0.00 C ATOM 662 C GLY A 106 -11.735 1.094 7.024 1.00 0.00 C ATOM 663 O GLY A 106 -11.319 0.001 7.409 1.00 0.00 O ATOM 0 H GLY A 106 -11.452 4.103 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.655 2.459 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.266 2.083 8.837 1.00 0.00 H new ATOM 667 N GLN A 107 -12.227 1.289 5.806 1.00 0.00 N ATOM 668 CA GLN A 107 -12.304 0.218 4.845 1.00 0.00 C ATOM 669 C GLN A 107 -10.969 -0.491 4.709 1.00 0.00 C ATOM 670 O GLN A 107 -9.946 0.126 4.410 1.00 0.00 O ATOM 671 CB GLN A 107 -12.766 0.776 3.521 1.00 0.00 C ATOM 672 CG GLN A 107 -14.269 0.839 3.443 1.00 0.00 C ATOM 673 CD GLN A 107 -14.817 2.235 3.652 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.337 2.556 4.720 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.707 3.074 2.628 1.00 0.00 N ATOM 0 H GLN A 107 -12.577 2.186 5.469 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.024 -0.524 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.351 1.774 3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.384 0.156 2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.592 0.470 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.694 0.172 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.268 2.765 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.061 4.027 2.709 1.00 0.00 H new ATOM 684 N GLU A 108 -10.991 -1.789 4.952 1.00 0.00 N ATOM 685 CA GLU A 108 -9.783 -2.597 4.883 1.00 0.00 C ATOM 686 C GLU A 108 -9.551 -3.136 3.477 1.00 0.00 C ATOM 687 O GLU A 108 -10.498 -3.441 2.751 1.00 0.00 O ATOM 688 CB GLU A 108 -9.860 -3.749 5.881 1.00 0.00 C ATOM 689 CG GLU A 108 -9.990 -3.294 7.322 1.00 0.00 C ATOM 690 CD GLU A 108 -11.158 -3.943 8.039 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.317 -5.175 7.920 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.913 -3.217 8.720 1.00 0.00 O ATOM 0 H GLU A 108 -11.833 -2.309 5.200 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.939 -1.956 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.712 -4.381 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.966 -4.365 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.068 -3.525 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.110 -2.211 7.347 1.00 0.00 H new ATOM 699 N GLY A 109 -8.283 -3.249 3.104 1.00 0.00 N ATOM 700 CA GLY A 109 -7.934 -3.751 1.790 1.00 0.00 C ATOM 701 C GLY A 109 -6.450 -3.640 1.508 1.00 0.00 C ATOM 702 O GLY A 109 -5.691 -3.124 2.328 1.00 0.00 O ATOM 0 H GLY A 109 -7.487 -3.001 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.240 -4.794 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.488 -3.196 1.033 1.00 0.00 H new ATOM 706 N PHE A 110 -6.037 -4.128 0.347 1.00 0.00 N ATOM 707 CA PHE A 110 -4.641 -4.091 -0.048 1.00 0.00 C ATOM 708 C PHE A 110 -4.328 -2.801 -0.796 1.00 0.00 C ATOM 709 O PHE A 110 -5.134 -2.326 -1.594 1.00 0.00 O ATOM 710 CB PHE A 110 -4.326 -5.300 -0.920 1.00 0.00 C ATOM 711 CG PHE A 110 -3.714 -6.443 -0.162 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.328 -6.941 0.977 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.527 -7.018 -0.586 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.767 -7.993 1.679 1.00 0.00 C ATOM 715 CE2 PHE A 110 -1.962 -8.068 0.110 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.583 -8.557 1.244 1.00 0.00 C ATOM 0 H PHE A 110 -6.656 -4.557 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.019 -4.122 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.244 -5.642 -1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.646 -4.997 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.254 -6.503 1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.038 -6.640 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.254 -8.373 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.036 -8.507 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.143 -9.379 1.789 1.00 0.00 H new ATOM 726 N ILE A 111 -3.161 -2.231 -0.528 1.00 0.00 N ATOM 727 CA ILE A 111 -2.761 -0.989 -1.174 1.00 0.00 C ATOM 728 C ILE A 111 -1.319 -1.036 -1.668 1.00 0.00 C ATOM 729 O ILE A 111 -0.443 -1.628 -1.036 1.00 0.00 O ATOM 730 CB ILE A 111 -2.900 0.210 -0.216 1.00 0.00 C ATOM 731 CG1 ILE A 111 -2.003 0.000 1.005 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.352 0.405 0.192 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.543 1.283 1.659 1.00 0.00 C ATOM 0 H ILE A 111 -2.478 -2.607 0.129 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.429 -0.867 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.580 1.117 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.542 -0.597 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.128 -0.577 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.429 1.256 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.957 0.591 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.712 -0.492 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.912 1.048 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.975 1.874 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.410 1.853 1.992 1.00 0.00 H new ATOM 745 N PRO A 112 -1.063 -0.377 -2.801 1.00 0.00 N ATOM 746 CA PRO A 112 0.266 -0.293 -3.391 1.00 0.00 C ATOM 747 C PRO A 112 1.274 0.283 -2.399 1.00 0.00 C ATOM 748 O PRO A 112 1.166 1.442 -1.997 1.00 0.00 O ATOM 749 CB PRO A 112 0.082 0.653 -4.586 1.00 0.00 C ATOM 750 CG PRO A 112 -1.244 1.303 -4.382 1.00 0.00 C ATOM 751 CD PRO A 112 -2.058 0.355 -3.572 1.00 0.00 C ATOM 0 HA PRO A 112 0.655 -1.270 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.880 1.394 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.109 0.105 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.133 2.257 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.726 1.510 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.760 0.881 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.645 -0.311 -4.204 1.00 0.00 H new ATOM 759 N PHE A 113 2.239 -0.533 -1.987 1.00 0.00 N ATOM 760 CA PHE A 113 3.246 -0.101 -1.020 1.00 0.00 C ATOM 761 C PHE A 113 3.955 1.183 -1.461 1.00 0.00 C ATOM 762 O PHE A 113 4.523 1.898 -0.635 1.00 0.00 O ATOM 763 CB PHE A 113 4.263 -1.224 -0.770 1.00 0.00 C ATOM 764 CG PHE A 113 5.424 -1.236 -1.730 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.225 -1.060 -3.090 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.717 -1.422 -1.266 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.291 -1.069 -3.968 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.788 -1.432 -2.139 1.00 0.00 C ATOM 769 CZ PHE A 113 7.575 -1.255 -3.492 1.00 0.00 C ATOM 0 H PHE A 113 2.346 -1.496 -2.306 1.00 0.00 H new ATOM 0 HA PHE A 113 2.729 0.123 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.648 -1.130 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.749 -2.183 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.224 -0.914 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.889 -1.561 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.121 -0.931 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.790 -1.578 -1.764 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.410 -1.262 -4.177 1.00 0.00 H new ATOM 779 N ASN A 114 3.923 1.473 -2.759 1.00 0.00 N ATOM 780 CA ASN A 114 4.567 2.673 -3.286 1.00 0.00 C ATOM 781 C ASN A 114 3.552 3.793 -3.494 1.00 0.00 C ATOM 782 O ASN A 114 3.690 4.609 -4.406 1.00 0.00 O ATOM 783 CB ASN A 114 5.271 2.356 -4.607 1.00 0.00 C ATOM 784 CG ASN A 114 4.382 1.591 -5.567 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.166 1.784 -5.594 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.985 0.716 -6.364 1.00 0.00 N ATOM 0 H ASN A 114 3.461 0.897 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 114 5.304 3.009 -2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.592 3.286 -5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.170 1.773 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.438 0.173 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.995 0.587 -6.308 1.00 0.00 H new ATOM 793 N PHE A 115 2.527 3.815 -2.651 1.00 0.00 N ATOM 794 CA PHE A 115 1.474 4.823 -2.743 1.00 0.00 C ATOM 795 C PHE A 115 1.361 5.637 -1.458 1.00 0.00 C ATOM 796 O PHE A 115 0.895 6.777 -1.476 1.00 0.00 O ATOM 797 CB PHE A 115 0.139 4.132 -3.010 1.00 0.00 C ATOM 798 CG PHE A 115 -0.657 4.715 -4.142 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.377 5.886 -3.974 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.706 4.073 -5.368 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.132 6.402 -5.006 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.455 4.588 -6.405 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.172 5.753 -6.224 1.00 0.00 C ATOM 0 H PHE A 115 2.401 3.144 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 115 1.728 5.502 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.327 3.079 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.463 4.173 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.347 6.400 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.151 3.158 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.692 7.314 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.480 4.080 -7.358 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.763 6.156 -7.033 1.00 0.00 H new ATOM 813 N VAL A 116 1.748 5.035 -0.338 1.00 0.00 N ATOM 814 CA VAL A 116 1.642 5.703 0.953 1.00 0.00 C ATOM 815 C VAL A 116 2.995 6.020 1.578 1.00 0.00 C ATOM 816 O VAL A 116 3.972 5.290 1.401 1.00 0.00 O ATOM 817 CB VAL A 116 0.829 4.852 1.945 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.619 4.757 1.496 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.441 3.463 2.104 1.00 0.00 C ATOM 0 H VAL A 116 2.135 4.092 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 116 1.134 6.647 0.755 1.00 0.00 H new ATOM 0 HB VAL A 116 0.857 5.341 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.182 4.152 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.051 5.756 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.665 4.294 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.847 2.882 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.453 2.958 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.461 3.555 2.477 1.00 0.00 H new ATOM 829 N ALA A 117 3.021 7.115 2.333 1.00 0.00 N ATOM 830 CA ALA A 117 4.217 7.562 3.030 1.00 0.00 C ATOM 831 C ALA A 117 3.843 8.013 4.439 1.00 0.00 C ATOM 832 O ALA A 117 2.789 8.612 4.640 1.00 0.00 O ATOM 833 CB ALA A 117 4.890 8.691 2.264 1.00 0.00 C ATOM 0 H ALA A 117 2.210 7.717 2.477 1.00 0.00 H new ATOM 0 HA ALA A 117 4.924 6.735 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.783 9.013 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.170 8.340 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.200 9.530 2.172 1.00 0.00 H new ATOM 839 N LYS A 118 4.694 7.708 5.414 1.00 0.00 N ATOM 840 CA LYS A 118 4.433 8.066 6.809 1.00 0.00 C ATOM 841 C LYS A 118 3.806 9.452 6.937 1.00 0.00 C ATOM 842 O LYS A 118 4.205 10.389 6.248 1.00 0.00 O ATOM 843 CB LYS A 118 5.732 8.015 7.618 1.00 0.00 C ATOM 844 CG LYS A 118 6.346 6.627 7.693 1.00 0.00 C ATOM 845 CD LYS A 118 5.312 5.587 8.081 1.00 0.00 C ATOM 846 CE LYS A 118 5.925 4.201 8.194 1.00 0.00 C ATOM 847 NZ LYS A 118 6.240 3.845 9.606 1.00 0.00 N ATOM 0 H LYS A 118 5.573 7.213 5.266 1.00 0.00 H new ATOM 0 HA LYS A 118 3.722 7.339 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.454 8.700 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.535 8.372 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.782 6.367 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.158 6.625 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.858 5.863 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.514 5.573 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.236 3.465 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.836 4.157 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.656 2.893 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.917 4.532 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.367 3.861 10.171 1.00 0.00 H new ATOM 861 N ALA A 119 2.819 9.570 7.827 1.00 0.00 N ATOM 862 CA ALA A 119 2.134 10.843 8.054 1.00 0.00 C ATOM 863 C ALA A 119 3.056 11.846 8.742 1.00 0.00 C ATOM 864 O ALA A 119 2.719 12.400 9.790 1.00 0.00 O ATOM 865 CB ALA A 119 0.867 10.645 8.884 1.00 0.00 C ATOM 0 H ALA A 119 2.477 8.800 8.402 1.00 0.00 H new ATOM 0 HA ALA A 119 1.852 11.241 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.378 11.607 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.189 9.973 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.129 10.213 9.850 1.00 0.00 H new ATOM 871 N ASN A 120 4.221 12.078 8.148 1.00 0.00 N ATOM 872 CA ASN A 120 5.192 13.013 8.705 1.00 0.00 C ATOM 873 C ASN A 120 5.048 14.392 8.068 1.00 0.00 C ATOM 874 O ASN A 120 5.886 15.269 8.362 1.00 0.00 O ATOM 875 CB ASN A 120 6.614 12.490 8.497 1.00 0.00 C ATOM 876 CG ASN A 120 7.555 12.917 9.606 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.223 13.778 10.420 1.00 0.00 O ATOM 878 ND2 ASN A 120 8.738 12.314 9.644 1.00 0.00 N ATOM 879 OXT ASN A 120 4.097 14.582 7.280 1.00 0.00 O ATOM 0 H ASN A 120 4.516 11.631 7.280 1.00 0.00 H new ATOM 0 HA ASN A 120 4.998 13.104 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.593 11.402 8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.995 12.851 7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.413 12.560 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.972 11.605 8.949 1.00 0.00 H new TER 886 ASN A 120