USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 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 25 SER OG : rot -120:sc= 0.797 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -177:sc= 0.917 (180deg=0) USER MOD Set 2.1: A 10 ASN : amide:sc= 0.425 K(o=0.79,f=-0.52) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -177:sc= 0.361 (180deg=-0.103) USER MOD Set 3.1: A 19 ASN : amide:sc= 1.06 K(o=2.3,f=1.2) USER MOD Set 3.2: A 55 TYR OH : rot -161:sc= 1.21 USER MOD Single : A 20 SER OG : rot 178:sc= 1.47 USER MOD Single : A 22 GLN : amide:sc= 0.462 X(o=0.46,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 29 GLN : amide:sc=0.000853 X(o=0.00085,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0.00283 K(o=0.0028,f=-2.4!) USER MOD Single : A 32 THR OG1 : rot -50:sc= 1.24 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 130:sc= -0.756 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -34:sc= 1.06 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -103:sc= 0.814 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0231 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= 0.221 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -9.604 -9.658 6.103 1.00 0.00 N ATOM 70 CA ASN A 10 -10.047 -10.027 4.724 1.00 0.00 C ATOM 71 C ASN A 10 -10.899 -8.926 3.996 1.00 0.00 C ATOM 72 O ASN A 10 -12.118 -8.851 4.175 1.00 0.00 O ATOM 73 CB ASN A 10 -10.838 -11.374 4.794 1.00 0.00 C ATOM 74 CG ASN A 10 -9.993 -12.638 4.907 1.00 0.00 C ATOM 75 OD1 ASN A 10 -9.414 -13.114 3.939 1.00 0.00 O ATOM 76 ND2 ASN A 10 -9.888 -13.220 6.070 1.00 0.00 N ATOM 0 HA ASN A 10 -9.146 -10.130 4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.512 -11.333 5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.460 -11.454 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.326 -14.066 6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.368 -12.829 6.881 1.00 0.00 H new ATOM 77 N LEU A 11 -10.288 -8.105 3.124 1.00 0.00 N ATOM 78 CA LEU A 11 -11.004 -7.114 2.281 1.00 0.00 C ATOM 79 C LEU A 11 -10.147 -6.962 0.966 1.00 0.00 C ATOM 80 O LEU A 11 -8.991 -6.525 0.987 1.00 0.00 O ATOM 81 CB LEU A 11 -11.298 -5.865 3.167 1.00 0.00 C ATOM 82 CG LEU A 11 -11.621 -4.561 2.433 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.045 -4.592 1.863 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.481 -3.351 3.367 1.00 0.00 C ATOM 0 H LEU A 11 -9.278 -8.105 2.979 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.997 -7.387 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.136 -6.103 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.433 -5.690 3.806 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.907 -4.465 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.251 -3.655 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.138 -5.421 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.759 -4.723 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.716 -2.439 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.168 -3.458 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.458 -3.296 3.740 1.00 0.00 H new ATOM 85 N ASP A 12 -10.701 -7.357 -0.196 1.00 0.00 N ATOM 86 CA ASP A 12 -9.953 -7.418 -1.487 1.00 0.00 C ATOM 87 C ASP A 12 -9.678 -6.041 -2.183 1.00 0.00 C ATOM 88 O ASP A 12 -10.331 -5.027 -1.910 1.00 0.00 O ATOM 89 CB ASP A 12 -10.765 -8.365 -2.418 1.00 0.00 C ATOM 90 CG ASP A 12 -10.791 -9.837 -2.012 1.00 0.00 C ATOM 91 OD1 ASP A 12 -9.647 -10.487 -2.351 1.00 0.00 O ATOM 92 OD2 ASP A 12 -11.731 -10.372 -1.439 1.00 0.00 O ATOM 0 H ASP A 12 -11.676 -7.644 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.949 -7.787 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.792 -8.003 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.354 -8.293 -3.425 1.00 0.00 H new ATOM 93 N GLU A 13 -8.710 -6.049 -3.121 1.00 0.00 N ATOM 94 CA GLU A 13 -8.296 -4.843 -3.899 1.00 0.00 C ATOM 95 C GLU A 13 -9.457 -4.206 -4.749 1.00 0.00 C ATOM 96 O GLU A 13 -10.297 -4.890 -5.342 1.00 0.00 O ATOM 97 CB GLU A 13 -6.992 -5.223 -4.683 1.00 0.00 C ATOM 98 CG GLU A 13 -6.661 -4.527 -6.034 1.00 0.00 C ATOM 99 CD GLU A 13 -7.384 -5.092 -7.256 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.220 -6.230 -7.680 1.00 0.00 O ATOM 101 OE2 GLU A 13 -8.221 -4.187 -7.831 1.00 0.00 O ATOM 0 H GLU A 13 -8.187 -6.889 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.060 -4.014 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.150 -5.047 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.030 -6.296 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.904 -3.468 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.587 -4.595 -6.205 1.00 0.00 H new ATOM 102 N GLY A 14 -9.471 -2.868 -4.773 1.00 0.00 N ATOM 103 CA GLY A 14 -10.562 -2.071 -5.415 1.00 0.00 C ATOM 104 C GLY A 14 -11.712 -1.550 -4.507 1.00 0.00 C ATOM 105 O GLY A 14 -12.639 -0.921 -5.015 1.00 0.00 O ATOM 0 H GLY A 14 -8.738 -2.295 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.105 -1.210 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.006 -2.683 -6.200 1.00 0.00 H new ATOM 106 N GLU A 15 -11.658 -1.791 -3.190 1.00 0.00 N ATOM 107 CA GLU A 15 -12.735 -1.445 -2.226 1.00 0.00 C ATOM 108 C GLU A 15 -12.248 -0.314 -1.259 1.00 0.00 C ATOM 109 O GLU A 15 -11.137 -0.374 -0.716 1.00 0.00 O ATOM 110 CB GLU A 15 -13.111 -2.740 -1.451 1.00 0.00 C ATOM 111 CG GLU A 15 -13.665 -3.912 -2.311 1.00 0.00 C ATOM 112 CD GLU A 15 -14.037 -5.157 -1.532 1.00 0.00 C ATOM 113 OE1 GLU A 15 -12.946 -5.927 -1.286 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.177 -5.431 -1.175 1.00 0.00 O ATOM 0 H GLU A 15 -10.855 -2.239 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.615 -1.065 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.227 -3.092 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.856 -2.485 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.545 -3.563 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.918 -4.179 -3.059 1.00 0.00 H new ATOM 115 N LEU A 16 -13.076 0.725 -1.049 1.00 0.00 N ATOM 116 CA LEU A 16 -12.704 1.913 -0.218 1.00 0.00 C ATOM 117 C LEU A 16 -12.569 1.543 1.303 1.00 0.00 C ATOM 118 O LEU A 16 -13.507 1.051 1.938 1.00 0.00 O ATOM 119 CB LEU A 16 -13.755 3.029 -0.500 1.00 0.00 C ATOM 120 CG LEU A 16 -13.330 4.494 -0.196 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.323 5.472 -0.849 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.255 4.831 1.303 1.00 0.00 C ATOM 0 H LEU A 16 -14.016 0.777 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.716 2.283 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.038 2.970 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.649 2.808 0.084 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.325 4.595 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.020 6.497 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.331 5.316 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.322 5.297 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.952 5.871 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.234 4.681 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.526 4.180 1.786 1.00 0.00 H new ATOM 123 N CYS A 17 -11.368 1.756 1.857 1.00 0.00 N ATOM 124 CA CYS A 17 -11.018 1.386 3.250 1.00 0.00 C ATOM 125 C CYS A 17 -10.403 2.571 4.053 1.00 0.00 C ATOM 126 O CYS A 17 -9.836 3.518 3.502 1.00 0.00 O ATOM 127 CB CYS A 17 -9.991 0.233 3.135 1.00 0.00 C ATOM 128 SG CYS A 17 -8.561 0.743 2.153 1.00 0.00 S ATOM 0 H CYS A 17 -10.598 2.194 1.351 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.917 1.096 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.665 -0.070 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.462 -0.636 2.675 1.00 0.00 H new ATOM 129 N LEU A 18 -10.467 2.492 5.389 1.00 0.00 N ATOM 130 CA LEU A 18 -9.791 3.484 6.269 1.00 0.00 C ATOM 131 C LEU A 18 -8.367 2.939 6.636 1.00 0.00 C ATOM 132 O LEU A 18 -7.361 3.463 6.159 1.00 0.00 O ATOM 133 CB LEU A 18 -10.707 3.823 7.486 1.00 0.00 C ATOM 134 CG LEU A 18 -12.034 4.574 7.195 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.867 4.685 8.483 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.809 5.985 6.625 1.00 0.00 C ATOM 0 H LEU A 18 -10.973 1.762 5.891 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.632 4.437 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.953 2.890 7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.127 4.423 8.187 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.563 3.991 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.797 5.213 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.094 3.687 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.301 5.234 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.772 6.461 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.240 6.580 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.255 5.915 5.689 1.00 0.00 H new ATOM 137 N ASN A 19 -8.280 1.930 7.517 1.00 0.00 N ATOM 138 CA ASN A 19 -6.994 1.301 7.924 1.00 0.00 C ATOM 139 C ASN A 19 -6.549 0.052 7.086 1.00 0.00 C ATOM 140 O ASN A 19 -7.354 -0.763 6.630 1.00 0.00 O ATOM 141 CB ASN A 19 -7.163 0.867 9.414 1.00 0.00 C ATOM 142 CG ASN A 19 -7.120 1.892 10.546 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.662 1.591 11.639 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.599 3.096 10.401 1.00 0.00 N ATOM 0 H ASN A 19 -9.095 1.520 7.973 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.212 2.041 7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.120 0.350 9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.386 0.131 9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.583 3.749 11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.990 3.385 9.504 1.00 0.00 H new ATOM 145 N SER A 20 -5.225 -0.147 6.995 1.00 0.00 N ATOM 146 CA SER A 20 -4.575 -1.378 6.417 1.00 0.00 C ATOM 147 C SER A 20 -4.773 -2.676 7.281 1.00 0.00 C ATOM 148 O SER A 20 -4.631 -3.795 6.788 1.00 0.00 O ATOM 149 CB SER A 20 -3.072 -1.121 6.251 1.00 0.00 C ATOM 150 OG SER A 20 -2.839 0.006 5.414 1.00 0.00 O ATOM 0 H SER A 20 -4.548 0.542 7.321 1.00 0.00 H new ATOM 0 HA SER A 20 -5.065 -1.562 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.618 -0.954 7.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.593 -2.002 5.823 1.00 0.00 H new ATOM 0 HG SER A 20 -1.875 0.173 5.351 1.00 0.00 H new ATOM 151 N ALA A 21 -5.172 -2.483 8.550 1.00 0.00 N ATOM 152 CA ALA A 21 -5.591 -3.525 9.510 1.00 0.00 C ATOM 153 C ALA A 21 -7.045 -4.116 9.233 1.00 0.00 C ATOM 154 O ALA A 21 -7.762 -4.557 10.131 1.00 0.00 O ATOM 155 CB ALA A 21 -5.477 -2.676 10.810 1.00 0.00 C ATOM 0 H ALA A 21 -5.214 -1.549 8.957 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.009 -4.447 9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.755 -3.287 11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.451 -2.328 10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.145 -1.818 10.744 1.00 0.00 H new ATOM 156 N GLN A 22 -7.444 -4.093 7.949 1.00 0.00 N ATOM 157 CA GLN A 22 -8.736 -4.560 7.392 1.00 0.00 C ATOM 158 C GLN A 22 -8.577 -5.345 6.027 1.00 0.00 C ATOM 159 O GLN A 22 -9.316 -6.314 5.842 1.00 0.00 O ATOM 160 CB GLN A 22 -9.638 -3.308 7.178 1.00 0.00 C ATOM 161 CG GLN A 22 -10.107 -2.513 8.430 1.00 0.00 C ATOM 162 CD GLN A 22 -11.135 -3.206 9.327 1.00 0.00 C ATOM 163 OE1 GLN A 22 -12.338 -3.052 9.167 1.00 0.00 O ATOM 164 NE2 GLN A 22 -10.713 -3.965 10.304 1.00 0.00 N ATOM 0 H GLN A 22 -6.834 -3.723 7.219 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.180 -5.263 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.100 -2.618 6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.527 -3.628 6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.231 -2.277 9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.529 -1.565 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.713 -4.102 10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.384 -4.421 10.922 1.00 0.00 H new ATOM 165 N CYS A 23 -7.686 -4.951 5.069 1.00 0.00 N ATOM 166 CA CYS A 23 -7.547 -5.630 3.739 1.00 0.00 C ATOM 167 C CYS A 23 -7.023 -7.127 3.796 1.00 0.00 C ATOM 168 O CYS A 23 -6.942 -7.731 4.863 1.00 0.00 O ATOM 169 CB CYS A 23 -6.674 -4.723 2.837 1.00 0.00 C ATOM 170 SG CYS A 23 -7.224 -3.003 2.650 1.00 0.00 S ATOM 0 H CYS A 23 -7.050 -4.163 5.192 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.544 -5.748 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.660 -4.716 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.622 -5.175 1.846 1.00 0.00 H new ATOM 171 N LYS A 24 -6.703 -7.769 2.652 1.00 0.00 N ATOM 172 CA LYS A 24 -6.303 -9.212 2.607 1.00 0.00 C ATOM 173 C LYS A 24 -4.913 -9.533 3.221 1.00 0.00 C ATOM 174 O LYS A 24 -4.810 -10.381 4.108 1.00 0.00 O ATOM 175 CB LYS A 24 -6.404 -9.720 1.138 1.00 0.00 C ATOM 176 CG LYS A 24 -7.810 -9.970 0.550 1.00 0.00 C ATOM 177 CD LYS A 24 -8.581 -11.204 1.073 1.00 0.00 C ATOM 178 CE LYS A 24 -7.936 -12.577 0.802 1.00 0.00 C ATOM 179 NZ LYS A 24 -7.128 -13.018 1.958 1.00 0.00 N ATOM 0 H LYS A 24 -6.711 -7.317 1.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.002 -9.746 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.899 -8.995 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.843 -10.652 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.418 -9.086 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.713 -10.065 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.713 -11.094 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.576 -11.200 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.712 -13.313 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.306 -12.518 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.663 -13.920 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.406 -12.300 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.746 -13.144 2.785 1.00 0.00 H new ATOM 180 N SER A 25 -3.846 -8.905 2.718 1.00 0.00 N ATOM 181 CA SER A 25 -2.499 -9.050 3.338 1.00 0.00 C ATOM 182 C SER A 25 -2.411 -8.057 4.544 1.00 0.00 C ATOM 183 O SER A 25 -2.522 -8.459 5.699 1.00 0.00 O ATOM 184 CB SER A 25 -1.409 -8.897 2.241 1.00 0.00 C ATOM 185 OG SER A 25 -1.370 -10.043 1.390 1.00 0.00 O ATOM 0 H SER A 25 -3.873 -8.299 1.898 1.00 0.00 H new ATOM 0 HA SER A 25 -2.324 -10.041 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.610 -8.006 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.435 -8.755 2.709 1.00 0.00 H new ATOM 0 HG SER A 25 -0.482 -10.454 1.436 1.00 0.00 H new ATOM 186 N ASN A 26 -2.174 -6.780 4.233 1.00 0.00 N ATOM 187 CA ASN A 26 -2.178 -5.638 5.197 1.00 0.00 C ATOM 188 C ASN A 26 -1.990 -4.335 4.334 1.00 0.00 C ATOM 189 O ASN A 26 -0.908 -3.739 4.377 1.00 0.00 O ATOM 190 CB ASN A 26 -1.109 -5.790 6.331 1.00 0.00 C ATOM 191 CG ASN A 26 -1.293 -4.838 7.518 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.054 -3.637 7.450 1.00 0.00 O ATOM 193 ND2 ASN A 26 -1.702 -5.327 8.658 1.00 0.00 N ATOM 0 H ASN A 26 -1.966 -6.486 3.279 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.119 -5.599 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.133 -6.816 6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.120 -5.628 5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.816 -4.713 9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.908 -6.323 8.741 1.00 0.00 H new ATOM 194 N CYS A 27 -2.952 -3.885 3.493 1.00 0.00 N ATOM 195 CA CYS A 27 -2.700 -2.713 2.603 1.00 0.00 C ATOM 196 C CYS A 27 -3.944 -1.860 2.204 1.00 0.00 C ATOM 197 O CYS A 27 -4.646 -2.152 1.232 1.00 0.00 O ATOM 198 CB CYS A 27 -1.941 -3.166 1.323 1.00 0.00 C ATOM 199 SG CYS A 27 -1.207 -1.694 0.555 1.00 0.00 S ATOM 0 H CYS A 27 -3.882 -4.296 3.408 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.095 -2.043 3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.167 -3.890 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.623 -3.658 0.629 1.00 0.00 H new ATOM 200 N CYS A 28 -4.197 -0.787 2.967 1.00 0.00 N ATOM 201 CA CYS A 28 -5.183 0.263 2.600 1.00 0.00 C ATOM 202 C CYS A 28 -4.264 1.322 1.929 1.00 0.00 C ATOM 203 O CYS A 28 -3.372 1.886 2.578 1.00 0.00 O ATOM 204 CB CYS A 28 -5.934 0.841 3.807 1.00 0.00 C ATOM 205 SG CYS A 28 -7.292 1.862 3.223 1.00 0.00 S ATOM 0 H CYS A 28 -3.729 -0.614 3.857 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.989 -0.107 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.313 0.035 4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.257 1.433 4.423 1.00 0.00 H new ATOM 206 N GLN A 29 -4.410 1.529 0.620 1.00 0.00 N ATOM 207 CA GLN A 29 -3.467 2.376 -0.140 1.00 0.00 C ATOM 208 C GLN A 29 -3.897 3.875 -0.228 1.00 0.00 C ATOM 209 O GLN A 29 -4.982 4.227 -0.693 1.00 0.00 O ATOM 210 CB GLN A 29 -3.270 1.648 -1.493 1.00 0.00 C ATOM 211 CG GLN A 29 -1.975 2.020 -2.270 1.00 0.00 C ATOM 212 CD GLN A 29 -2.230 2.811 -3.544 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.331 2.270 -4.638 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.418 4.093 -3.436 1.00 0.00 N ATOM 0 H GLN A 29 -5.163 1.129 0.060 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.508 2.478 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.268 0.573 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.129 1.862 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.325 2.601 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.438 1.105 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.334 4.546 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.649 4.646 -4.261 1.00 0.00 H new ATOM 215 N HIS A 30 -2.989 4.746 0.221 1.00 0.00 N ATOM 216 CA HIS A 30 -3.201 6.210 0.350 1.00 0.00 C ATOM 217 C HIS A 30 -3.058 6.945 -1.019 1.00 0.00 C ATOM 218 O HIS A 30 -2.056 6.770 -1.721 1.00 0.00 O ATOM 219 CB HIS A 30 -2.110 6.680 1.360 1.00 0.00 C ATOM 220 CG HIS A 30 -2.341 7.968 2.141 1.00 0.00 C ATOM 221 ND1 HIS A 30 -2.369 8.001 3.530 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.325 9.270 1.624 1.00 0.00 C ATOM 223 CE1 HIS A 30 -2.385 9.354 3.724 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.339 10.192 2.651 1.00 0.00 N ATOM 0 H HIS A 30 -2.057 4.455 0.516 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.210 6.441 0.692 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.961 5.878 2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.176 6.790 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.305 9.517 0.573 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.434 9.757 4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.320 11.211 2.616 1.00 0.00 H new ATOM 225 N ASP A 31 -4.007 7.822 -1.373 1.00 0.00 N ATOM 226 CA ASP A 31 -3.965 8.588 -2.659 1.00 0.00 C ATOM 227 C ASP A 31 -2.937 9.790 -2.756 1.00 0.00 C ATOM 228 O ASP A 31 -3.170 10.750 -3.497 1.00 0.00 O ATOM 229 CB ASP A 31 -5.439 8.980 -2.984 1.00 0.00 C ATOM 230 CG ASP A 31 -6.064 10.197 -2.293 1.00 0.00 C ATOM 231 OD1 ASP A 31 -5.641 11.374 -2.834 1.00 0.00 O ATOM 232 OD2 ASP A 31 -6.876 10.119 -1.383 1.00 0.00 O ATOM 0 H ASP A 31 -4.822 8.030 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.542 7.939 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.504 9.145 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.065 8.117 -2.756 1.00 0.00 H new ATOM 233 N THR A 32 -1.789 9.703 -2.065 1.00 0.00 N ATOM 234 CA THR A 32 -0.686 10.717 -2.039 1.00 0.00 C ATOM 235 C THR A 32 -1.101 12.022 -1.269 1.00 0.00 C ATOM 236 O THR A 32 -1.826 12.869 -1.795 1.00 0.00 O ATOM 237 CB THR A 32 -0.020 10.989 -3.431 1.00 0.00 C ATOM 238 OG1 THR A 32 -0.877 11.719 -4.298 1.00 0.00 O ATOM 239 CG2 THR A 32 0.380 9.708 -4.184 1.00 0.00 C ATOM 0 H THR A 32 -1.581 8.895 -1.479 1.00 0.00 H new ATOM 0 HA THR A 32 0.116 10.260 -1.459 1.00 0.00 H new ATOM 0 HB THR A 32 0.874 11.562 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.757 11.289 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.834 9.974 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.095 9.143 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.506 9.098 -4.361 1.00 0.00 H new ATOM 240 N ILE A 33 -0.659 12.159 0.003 1.00 0.00 N ATOM 241 CA ILE A 33 -0.954 13.326 0.911 1.00 0.00 C ATOM 242 C ILE A 33 -2.448 13.306 1.416 1.00 0.00 C ATOM 243 O ILE A 33 -2.664 13.166 2.624 1.00 0.00 O ATOM 244 CB ILE A 33 -0.442 14.715 0.364 1.00 0.00 C ATOM 245 CG1 ILE A 33 1.109 14.825 0.179 1.00 0.00 C ATOM 246 CG2 ILE A 33 -0.826 15.891 1.305 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.719 14.109 -1.039 1.00 0.00 C ATOM 0 H ILE A 33 -0.073 11.454 0.450 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.346 13.193 1.806 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.931 14.777 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.369 15.882 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.586 14.432 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.453 16.827 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.911 15.942 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.384 15.730 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.798 14.264 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.506 13.042 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.286 14.514 -1.954 1.00 0.00 H new ATOM 248 N LEU A 34 -3.468 13.434 0.546 1.00 0.00 N ATOM 249 CA LEU A 34 -4.900 13.297 0.942 1.00 0.00 C ATOM 250 C LEU A 34 -5.228 11.814 1.342 1.00 0.00 C ATOM 251 O LEU A 34 -4.922 10.866 0.612 1.00 0.00 O ATOM 252 CB LEU A 34 -5.764 13.808 -0.245 1.00 0.00 C ATOM 253 CG LEU A 34 -7.301 13.851 -0.023 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.720 14.934 0.986 1.00 0.00 C ATOM 255 CD2 LEU A 34 -8.023 14.097 -1.356 1.00 0.00 C ATOM 0 H LEU A 34 -3.334 13.634 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.123 13.895 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.429 14.813 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.563 13.175 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.587 12.883 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.803 14.921 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.247 14.737 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.406 15.912 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.099 14.125 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.697 15.048 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.786 13.292 -2.052 1.00 0.00 H new ATOM 256 N SER A 35 -5.839 11.620 2.518 1.00 0.00 N ATOM 257 CA SER A 35 -6.085 10.258 3.076 1.00 0.00 C ATOM 258 C SER A 35 -7.390 9.489 2.658 1.00 0.00 C ATOM 259 O SER A 35 -7.886 8.674 3.445 1.00 0.00 O ATOM 260 CB SER A 35 -5.954 10.431 4.614 1.00 0.00 C ATOM 261 OG SER A 35 -7.067 11.130 5.179 1.00 0.00 O ATOM 0 H SER A 35 -6.176 12.379 3.110 1.00 0.00 H new ATOM 0 HA SER A 35 -5.352 9.583 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.869 9.450 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.035 10.973 4.839 1.00 0.00 H new ATOM 0 HG SER A 35 -6.943 11.214 6.147 1.00 0.00 H new ATOM 262 N LEU A 36 -7.936 9.670 1.437 1.00 0.00 N ATOM 263 CA LEU A 36 -9.079 8.842 0.934 1.00 0.00 C ATOM 264 C LEU A 36 -8.424 7.525 0.387 1.00 0.00 C ATOM 265 O LEU A 36 -7.951 7.439 -0.751 1.00 0.00 O ATOM 266 CB LEU A 36 -9.899 9.663 -0.099 1.00 0.00 C ATOM 267 CG LEU A 36 -11.220 9.019 -0.593 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.291 8.949 0.510 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.782 9.819 -1.779 1.00 0.00 C ATOM 0 H LEU A 36 -7.613 10.376 0.776 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.811 8.571 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.134 10.631 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.266 9.853 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.980 8.000 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.195 8.490 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.918 8.352 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.519 9.956 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.710 9.360 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.978 10.845 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.057 9.820 -2.593 1.00 0.00 H new ATOM 270 N SER A 37 -8.364 6.508 1.256 1.00 0.00 N ATOM 271 CA SER A 37 -7.607 5.261 0.987 1.00 0.00 C ATOM 272 C SER A 37 -8.487 4.086 0.443 1.00 0.00 C ATOM 273 O SER A 37 -9.683 3.952 0.716 1.00 0.00 O ATOM 274 CB SER A 37 -6.872 4.945 2.319 1.00 0.00 C ATOM 275 OG SER A 37 -6.083 6.057 2.757 1.00 0.00 O ATOM 0 H SER A 37 -8.833 6.518 2.162 1.00 0.00 H new ATOM 0 HA SER A 37 -6.898 5.395 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.602 4.690 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.232 4.073 2.185 1.00 0.00 H new ATOM 0 HG SER A 37 -6.284 6.251 3.696 1.00 0.00 H new ATOM 276 N ARG A 38 -7.867 3.240 -0.385 1.00 0.00 N ATOM 277 CA ARG A 38 -8.543 2.099 -1.070 1.00 0.00 C ATOM 278 C ARG A 38 -7.588 0.864 -1.101 1.00 0.00 C ATOM 279 O ARG A 38 -6.399 1.019 -1.389 1.00 0.00 O ATOM 280 CB ARG A 38 -8.941 2.604 -2.487 1.00 0.00 C ATOM 281 CG ARG A 38 -9.839 1.649 -3.311 1.00 0.00 C ATOM 282 CD ARG A 38 -10.310 2.207 -4.669 1.00 0.00 C ATOM 283 NE ARG A 38 -11.278 3.330 -4.521 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.603 3.217 -4.500 1.00 0.00 C ATOM 285 NH1 ARG A 38 -13.254 2.086 -4.575 1.00 0.00 N ATOM 286 NH2 ARG A 38 -13.298 4.306 -4.400 1.00 0.00 N ATOM 0 H ARG A 38 -6.875 3.316 -0.610 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.440 1.768 -0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.457 3.558 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.030 2.796 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.293 0.722 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.716 1.395 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.445 2.550 -5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.773 1.406 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.890 4.269 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.742 1.207 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.274 2.082 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.826 5.208 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.317 4.261 -4.381 1.00 0.00 H new ATOM 287 N CYS A 39 -8.054 -0.375 -0.832 1.00 0.00 N ATOM 288 CA CYS A 39 -7.182 -1.580 -0.956 1.00 0.00 C ATOM 289 C CYS A 39 -6.658 -1.774 -2.420 1.00 0.00 C ATOM 290 O CYS A 39 -7.371 -1.576 -3.408 1.00 0.00 O ATOM 291 CB CYS A 39 -7.916 -2.850 -0.482 1.00 0.00 C ATOM 292 SG CYS A 39 -8.609 -2.809 1.199 1.00 0.00 S ATOM 0 H CYS A 39 -9.009 -0.573 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.320 -1.413 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.727 -3.055 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.222 -3.688 -0.544 1.00 0.00 H new ATOM 293 N ALA A 40 -5.391 -2.171 -2.530 1.00 0.00 N ATOM 294 CA ALA A 40 -4.675 -2.241 -3.827 1.00 0.00 C ATOM 295 C ALA A 40 -3.739 -3.477 -4.042 1.00 0.00 C ATOM 296 O ALA A 40 -3.585 -4.357 -3.190 1.00 0.00 O ATOM 297 CB ALA A 40 -3.919 -0.900 -3.829 1.00 0.00 C ATOM 0 H ALA A 40 -4.823 -2.455 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.362 -2.387 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.336 -0.812 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.634 -0.079 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.251 -0.858 -2.969 1.00 0.00 H new ATOM 298 N LEU A 41 -3.135 -3.534 -5.240 1.00 0.00 N ATOM 299 CA LEU A 41 -2.178 -4.603 -5.632 1.00 0.00 C ATOM 300 C LEU A 41 -0.706 -4.271 -5.199 1.00 0.00 C ATOM 301 O LEU A 41 -0.280 -3.113 -5.145 1.00 0.00 O ATOM 302 CB LEU A 41 -2.331 -4.764 -7.177 1.00 0.00 C ATOM 303 CG LEU A 41 -1.554 -5.921 -7.864 1.00 0.00 C ATOM 304 CD1 LEU A 41 -2.052 -7.311 -7.430 1.00 0.00 C ATOM 305 CD2 LEU A 41 -1.677 -5.807 -9.392 1.00 0.00 C ATOM 0 H LEU A 41 -3.292 -2.842 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.400 -5.540 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.391 -4.895 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.022 -3.829 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.514 -5.824 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.474 -8.081 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.930 -7.421 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.106 -7.417 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.129 -6.623 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.727 -5.863 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.262 -4.854 -9.720 1.00 0.00 H new ATOM 306 N LYS A 42 0.077 -5.320 -4.916 1.00 0.00 N ATOM 307 CA LYS A 42 1.529 -5.203 -4.595 1.00 0.00 C ATOM 308 C LYS A 42 2.401 -4.725 -5.812 1.00 0.00 C ATOM 309 O LYS A 42 2.194 -5.160 -6.949 1.00 0.00 O ATOM 310 CB LYS A 42 1.992 -6.600 -4.095 1.00 0.00 C ATOM 311 CG LYS A 42 1.506 -6.999 -2.682 1.00 0.00 C ATOM 312 CD LYS A 42 1.911 -8.433 -2.281 1.00 0.00 C ATOM 313 CE LYS A 42 1.309 -8.910 -0.948 1.00 0.00 C ATOM 314 NZ LYS A 42 -0.117 -9.257 -1.112 1.00 0.00 N ATOM 0 H LYS A 42 -0.267 -6.280 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 42 1.667 -4.435 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.647 -7.352 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.082 -6.627 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.912 -6.297 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.420 -6.910 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.605 -9.119 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.998 -8.487 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.860 -9.778 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.414 -8.128 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.517 -9.528 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.634 -8.435 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.207 -10.053 -1.775 1.00 0.00 H new ATOM 315 N ALA A 43 3.407 -3.866 -5.568 1.00 0.00 N ATOM 316 CA ALA A 43 4.241 -3.292 -6.656 1.00 0.00 C ATOM 317 C ALA A 43 5.306 -4.271 -7.269 1.00 0.00 C ATOM 318 O ALA A 43 5.651 -5.337 -6.747 1.00 0.00 O ATOM 319 CB ALA A 43 4.852 -2.003 -6.052 1.00 0.00 C ATOM 0 H ALA A 43 3.667 -3.551 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 43 3.629 -3.080 -7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.484 -1.517 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.052 -1.324 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.451 -2.259 -5.178 1.00 0.00 H new ATOM 320 N ARG A 44 5.764 -3.878 -8.458 1.00 0.00 N ATOM 321 CA ARG A 44 6.670 -4.684 -9.319 1.00 0.00 C ATOM 322 C ARG A 44 8.110 -4.077 -9.433 1.00 0.00 C ATOM 323 O ARG A 44 8.447 -3.058 -8.829 1.00 0.00 O ATOM 324 CB ARG A 44 5.894 -4.807 -10.677 1.00 0.00 C ATOM 325 CG ARG A 44 5.062 -6.097 -10.871 1.00 0.00 C ATOM 326 CD ARG A 44 3.953 -6.387 -9.842 1.00 0.00 C ATOM 327 NE ARG A 44 3.266 -7.653 -10.206 1.00 0.00 N ATOM 328 CZ ARG A 44 2.416 -8.311 -9.424 1.00 0.00 C ATOM 329 NH1 ARG A 44 2.039 -7.908 -8.239 1.00 0.00 N ATOM 330 NH2 ARG A 44 1.921 -9.423 -9.869 1.00 0.00 N ATOM 0 H ARG A 44 5.519 -2.977 -8.869 1.00 0.00 H new ATOM 0 HA ARG A 44 6.884 -5.669 -8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.226 -3.951 -10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.615 -4.738 -11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.603 -6.056 -11.859 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.749 -6.943 -10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.380 -6.466 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.238 -5.565 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 44 3.461 -8.047 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.402 -7.034 -7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.382 -8.467 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.187 -9.766 -10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.266 -9.955 -9.296 1.00 0.00 H new ATOM 331 N GLU A 45 8.978 -4.736 -10.214 1.00 0.00 N ATOM 332 CA GLU A 45 10.409 -4.356 -10.375 1.00 0.00 C ATOM 333 C GLU A 45 10.623 -2.912 -10.947 1.00 0.00 C ATOM 334 O GLU A 45 9.981 -2.489 -11.912 1.00 0.00 O ATOM 335 CB GLU A 45 11.079 -5.421 -11.291 1.00 0.00 C ATOM 336 CG GLU A 45 12.620 -5.508 -11.130 1.00 0.00 C ATOM 337 CD GLU A 45 13.308 -6.391 -12.163 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.435 -5.773 -13.368 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.706 -7.529 -11.938 1.00 0.00 O ATOM 0 H GLU A 45 8.715 -5.556 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 45 10.869 -4.334 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.645 -6.397 -11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.844 -5.191 -12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.038 -4.503 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.849 -5.887 -10.134 1.00 0.00 H new ATOM 340 N ASN A 46 11.560 -2.184 -10.327 1.00 0.00 N ATOM 341 CA ASN A 46 11.845 -0.736 -10.603 1.00 0.00 C ATOM 342 C ASN A 46 10.665 0.222 -10.187 1.00 0.00 C ATOM 343 O ASN A 46 10.422 1.243 -10.837 1.00 0.00 O ATOM 344 CB ASN A 46 12.370 -0.516 -12.057 1.00 0.00 C ATOM 345 CG ASN A 46 13.718 -1.157 -12.364 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.771 -0.697 -11.943 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.737 -2.229 -13.106 1.00 0.00 N ATOM 0 H ASN A 46 12.163 -2.575 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 46 12.664 -0.443 -9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.631 -0.908 -12.756 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.445 0.556 -12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.625 -2.678 -13.331 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.864 -2.619 -13.461 1.00 0.00 H new ATOM 348 N SER A 47 9.985 -0.060 -9.052 1.00 0.00 N ATOM 349 CA SER A 47 8.874 0.786 -8.542 1.00 0.00 C ATOM 350 C SER A 47 9.080 1.182 -7.046 1.00 0.00 C ATOM 351 O SER A 47 9.515 0.381 -6.213 1.00 0.00 O ATOM 352 CB SER A 47 7.553 0.007 -8.753 1.00 0.00 C ATOM 353 OG SER A 47 6.416 0.846 -8.542 1.00 0.00 O ATOM 0 H SER A 47 10.186 -0.871 -8.467 1.00 0.00 H new ATOM 0 HA SER A 47 8.844 1.726 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.525 -0.399 -9.764 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.515 -0.840 -8.068 1.00 0.00 H new ATOM 0 HG SER A 47 5.596 0.328 -8.684 1.00 0.00 H new ATOM 354 N GLU A 48 8.740 2.438 -6.717 1.00 0.00 N ATOM 355 CA GLU A 48 8.827 2.992 -5.341 1.00 0.00 C ATOM 356 C GLU A 48 7.705 2.423 -4.399 1.00 0.00 C ATOM 357 O GLU A 48 6.580 2.928 -4.345 1.00 0.00 O ATOM 358 CB GLU A 48 8.688 4.543 -5.436 1.00 0.00 C ATOM 359 CG GLU A 48 9.897 5.346 -5.974 1.00 0.00 C ATOM 360 CD GLU A 48 9.617 6.843 -6.092 1.00 0.00 C ATOM 361 OE1 GLU A 48 9.494 7.443 -4.877 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.500 7.436 -7.157 1.00 0.00 O ATOM 0 H GLU A 48 8.392 3.111 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 48 9.786 2.704 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.830 4.764 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.453 4.919 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.750 5.193 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.178 4.957 -6.953 1.00 0.00 H new ATOM 363 N CYS A 49 8.051 1.399 -3.621 1.00 0.00 N ATOM 364 CA CYS A 49 7.142 0.772 -2.631 1.00 0.00 C ATOM 365 C CYS A 49 7.356 1.345 -1.192 1.00 0.00 C ATOM 366 O CYS A 49 8.484 1.492 -0.703 1.00 0.00 O ATOM 367 CB CYS A 49 7.375 -0.766 -2.630 1.00 0.00 C ATOM 368 SG CYS A 49 8.088 -1.392 -1.075 1.00 0.00 S ATOM 0 H CYS A 49 8.975 0.969 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 49 6.116 1.000 -2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.426 -1.269 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.038 -1.026 -3.455 1.00 0.00 H new ATOM 369 N SER A 50 6.251 1.620 -0.494 1.00 0.00 N ATOM 370 CA SER A 50 6.280 1.989 0.951 1.00 0.00 C ATOM 371 C SER A 50 6.213 0.631 1.723 1.00 0.00 C ATOM 372 O SER A 50 5.229 -0.104 1.570 1.00 0.00 O ATOM 373 CB SER A 50 5.111 2.953 1.269 1.00 0.00 C ATOM 374 OG SER A 50 3.833 2.326 1.120 1.00 0.00 O ATOM 0 H SER A 50 5.314 1.598 -0.896 1.00 0.00 H new ATOM 0 HA SER A 50 7.178 2.531 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.215 3.322 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.167 3.819 0.609 1.00 0.00 H new ATOM 0 HG SER A 50 3.872 1.672 0.391 1.00 0.00 H new ATOM 375 N ALA A 51 7.260 0.263 2.491 1.00 0.00 N ATOM 376 CA ALA A 51 7.328 -1.072 3.111 1.00 0.00 C ATOM 377 C ALA A 51 6.490 -1.225 4.406 1.00 0.00 C ATOM 378 O ALA A 51 5.271 -1.066 4.289 1.00 0.00 O ATOM 379 CB ALA A 51 8.817 -1.412 3.222 1.00 0.00 C ATOM 0 H ALA A 51 8.059 0.864 2.693 1.00 0.00 H new ATOM 0 HA ALA A 51 6.836 -1.819 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.933 -2.396 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.264 -1.417 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.316 -0.666 3.840 1.00 0.00 H new ATOM 380 N PHE A 52 7.060 -1.511 5.606 1.00 0.00 N ATOM 381 CA PHE A 52 6.214 -1.865 6.781 1.00 0.00 C ATOM 382 C PHE A 52 6.369 -1.198 8.190 1.00 0.00 C ATOM 383 O PHE A 52 7.404 -0.723 8.651 1.00 0.00 O ATOM 384 CB PHE A 52 6.220 -3.445 6.847 1.00 0.00 C ATOM 385 CG PHE A 52 4.808 -3.941 6.509 1.00 0.00 C ATOM 386 CD1 PHE A 52 4.386 -3.799 5.182 1.00 0.00 C ATOM 387 CD2 PHE A 52 3.862 -3.926 7.536 1.00 0.00 C ATOM 388 CE1 PHE A 52 3.056 -3.522 4.906 1.00 0.00 C ATOM 389 CE2 PHE A 52 2.523 -3.719 7.246 1.00 0.00 C ATOM 390 CZ PHE A 52 2.112 -3.553 5.926 1.00 0.00 C ATOM 0 H PHE A 52 8.064 -1.505 5.785 1.00 0.00 H new ATOM 0 HA PHE A 52 5.259 -1.387 6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.945 -3.853 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.515 -3.783 7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.095 -3.905 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.175 -4.076 8.559 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.753 -3.282 3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.797 -3.686 8.045 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.062 -3.449 5.695 1.00 0.00 H new ATOM 391 N THR A 53 5.189 -1.272 8.826 1.00 0.00 N ATOM 392 CA THR A 53 4.737 -0.682 10.098 1.00 0.00 C ATOM 393 C THR A 53 5.136 0.802 10.353 1.00 0.00 C ATOM 394 O THR A 53 6.270 1.276 10.374 1.00 0.00 O ATOM 395 CB THR A 53 4.846 -1.470 11.410 1.00 0.00 C ATOM 396 OG1 THR A 53 6.196 -1.579 11.846 1.00 0.00 O ATOM 397 CG2 THR A 53 4.240 -2.875 11.350 1.00 0.00 C ATOM 0 H THR A 53 4.434 -1.816 8.408 1.00 0.00 H new ATOM 0 HA THR A 53 3.680 -0.746 9.839 1.00 0.00 H new ATOM 0 HB THR A 53 4.262 -0.888 12.122 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.229 -2.085 12.685 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.359 -3.364 12.317 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.180 -2.804 11.107 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.750 -3.459 10.583 1.00 0.00 H new ATOM 398 N LEU A 54 4.031 1.486 10.539 1.00 0.00 N ATOM 399 CA LEU A 54 3.890 2.938 10.679 1.00 0.00 C ATOM 400 C LEU A 54 2.702 3.058 11.707 1.00 0.00 C ATOM 401 O LEU A 54 2.861 3.343 12.894 1.00 0.00 O ATOM 402 CB LEU A 54 3.863 3.389 9.157 1.00 0.00 C ATOM 403 CG LEU A 54 2.673 4.233 8.666 1.00 0.00 C ATOM 404 CD1 LEU A 54 3.104 5.311 7.669 1.00 0.00 C ATOM 405 CD2 LEU A 54 1.636 3.334 7.971 1.00 0.00 C ATOM 0 H LEU A 54 3.129 1.014 10.603 1.00 0.00 H new ATOM 0 HA LEU A 54 4.620 3.620 11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.774 3.954 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.908 2.489 8.543 1.00 0.00 H new ATOM 0 HG LEU A 54 2.246 4.714 9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.232 5.881 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.821 5.980 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.567 4.840 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.799 3.942 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.098 2.838 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.275 2.584 8.675 1.00 0.00 H new ATOM 406 N TYR A 55 1.520 2.726 11.200 1.00 0.00 N ATOM 407 CA TYR A 55 0.237 2.562 11.924 1.00 0.00 C ATOM 408 C TYR A 55 -0.768 1.663 11.079 1.00 0.00 C ATOM 409 O TYR A 55 -1.601 0.949 11.640 1.00 0.00 O ATOM 410 CB TYR A 55 -0.337 3.973 12.271 1.00 0.00 C ATOM 411 CG TYR A 55 -1.777 3.916 12.796 1.00 0.00 C ATOM 412 CD1 TYR A 55 -2.029 3.349 14.048 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.822 4.065 11.878 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.321 2.955 14.384 1.00 0.00 C ATOM 415 CE2 TYR A 55 -4.109 3.657 12.213 1.00 0.00 C ATOM 416 CZ TYR A 55 -4.361 3.116 13.473 1.00 0.00 C ATOM 417 OH TYR A 55 -5.601 2.631 13.786 1.00 0.00 O ATOM 0 H TYR A 55 1.411 2.549 10.201 1.00 0.00 H new ATOM 0 HA TYR A 55 0.394 2.033 12.864 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.299 4.445 13.020 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.304 4.602 11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.222 3.217 14.754 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.629 4.498 10.907 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.517 2.523 15.354 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.912 3.759 11.498 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.131 2.535 12.967 1.00 0.00 H new ATOM 418 N GLY A 56 -0.678 1.713 9.745 1.00 0.00 N ATOM 419 CA GLY A 56 -1.635 1.070 8.821 1.00 0.00 C ATOM 420 C GLY A 56 -2.348 1.980 7.780 1.00 0.00 C ATOM 421 O GLY A 56 -3.546 1.817 7.600 1.00 0.00 O ATOM 0 H GLY A 56 0.073 2.208 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.105 0.288 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.402 0.578 9.419 1.00 0.00 H new ATOM 422 N VAL A 57 -1.708 2.920 7.076 1.00 0.00 N ATOM 423 CA VAL A 57 -2.080 3.267 5.657 1.00 0.00 C ATOM 424 C VAL A 57 -0.739 3.464 4.885 1.00 0.00 C ATOM 425 O VAL A 57 0.170 4.189 5.305 1.00 0.00 O ATOM 426 CB VAL A 57 -3.015 4.497 5.440 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.556 4.564 3.989 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.266 4.447 6.316 1.00 0.00 C ATOM 0 H VAL A 57 -0.929 3.465 7.445 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.690 2.443 5.287 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.389 5.354 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.202 5.435 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.721 4.644 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.125 3.661 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.880 5.327 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.837 3.548 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.974 4.430 7.366 1.00 0.00 H new ATOM 429 N TYR A 58 -0.656 2.844 3.709 1.00 0.00 N ATOM 430 CA TYR A 58 0.596 2.779 2.919 1.00 0.00 C ATOM 431 C TYR A 58 0.445 3.483 1.542 1.00 0.00 C ATOM 432 O TYR A 58 -0.510 3.249 0.808 1.00 0.00 O ATOM 433 CB TYR A 58 0.918 1.256 2.822 1.00 0.00 C ATOM 434 CG TYR A 58 1.227 0.573 4.178 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.392 0.907 4.874 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.251 -0.205 4.810 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.598 0.447 6.176 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.450 -0.646 6.118 1.00 0.00 C ATOM 439 CZ TYR A 58 1.613 -0.307 6.802 1.00 0.00 C ATOM 440 OH TYR A 58 1.770 -0.720 8.098 1.00 0.00 O ATOM 0 H TYR A 58 -1.445 2.371 3.269 1.00 0.00 H new ATOM 0 HA TYR A 58 1.421 3.317 3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.072 0.748 2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.773 1.120 2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.139 1.526 4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.657 -0.464 4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.518 0.676 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.301 -1.253 6.602 1.00 0.00 H new ATOM 0 HH TYR A 58 2.018 -1.668 8.111 1.00 0.00 H new ATOM 441 N TYR A 59 1.391 4.344 1.155 1.00 0.00 N ATOM 442 CA TYR A 59 1.342 5.063 -0.162 1.00 0.00 C ATOM 443 C TYR A 59 1.380 4.141 -1.436 1.00 0.00 C ATOM 444 O TYR A 59 0.633 4.387 -2.383 1.00 0.00 O ATOM 445 CB TYR A 59 2.479 6.126 -0.154 1.00 0.00 C ATOM 446 CG TYR A 59 2.142 7.510 0.445 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.695 7.650 1.765 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.376 8.663 -0.317 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.478 8.914 2.309 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.196 9.926 0.242 1.00 0.00 C ATOM 451 CZ TYR A 59 1.736 10.049 1.547 1.00 0.00 C ATOM 452 OH TYR A 59 1.536 11.289 2.084 1.00 0.00 O ATOM 0 H TYR A 59 2.208 4.573 1.721 1.00 0.00 H new ATOM 0 HA TYR A 59 0.365 5.537 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.324 5.714 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.812 6.274 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.517 6.771 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.698 8.571 -1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.110 9.013 3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.414 10.810 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 59 1.764 11.973 1.421 1.00 0.00 H new ATOM 453 N LYS A 60 2.231 3.106 -1.458 1.00 0.00 N ATOM 454 CA LYS A 60 2.291 2.092 -2.539 1.00 0.00 C ATOM 455 C LYS A 60 2.588 0.739 -1.818 1.00 0.00 C ATOM 456 O LYS A 60 3.608 0.609 -1.135 1.00 0.00 O ATOM 457 CB LYS A 60 3.384 2.445 -3.589 1.00 0.00 C ATOM 458 CG LYS A 60 3.149 3.701 -4.463 1.00 0.00 C ATOM 459 CD LYS A 60 1.960 3.593 -5.447 1.00 0.00 C ATOM 460 CE LYS A 60 1.604 4.918 -6.144 1.00 0.00 C ATOM 461 NZ LYS A 60 0.882 5.815 -5.217 1.00 0.00 N ATOM 0 H LYS A 60 2.911 2.940 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 60 1.359 2.044 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.329 2.573 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.503 1.589 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.984 4.557 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.056 3.905 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.196 2.847 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.085 3.232 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.513 5.406 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.988 4.720 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.058 6.033 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.775 5.347 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.420 6.697 -5.098 1.00 0.00 H new ATOM 462 N CYS A 61 1.688 -0.253 -1.934 1.00 0.00 N ATOM 463 CA CYS A 61 1.807 -1.573 -1.236 1.00 0.00 C ATOM 464 C CYS A 61 3.242 -2.264 -1.252 1.00 0.00 C ATOM 465 O CYS A 61 3.973 -2.100 -2.238 1.00 0.00 O ATOM 466 CB CYS A 61 0.702 -2.455 -1.856 1.00 0.00 C ATOM 467 SG CYS A 61 -0.963 -1.883 -1.432 1.00 0.00 S ATOM 0 H CYS A 61 0.851 -0.175 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 61 1.678 -1.422 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.814 -2.464 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.828 -3.482 -1.514 1.00 0.00 H new ATOM 468 N PRO A 62 3.666 -3.059 -0.222 1.00 0.00 N ATOM 469 CA PRO A 62 5.075 -3.579 -0.097 1.00 0.00 C ATOM 470 C PRO A 62 5.662 -4.674 -1.064 1.00 0.00 C ATOM 471 O PRO A 62 6.426 -5.541 -0.635 1.00 0.00 O ATOM 472 CB PRO A 62 5.017 -4.055 1.373 1.00 0.00 C ATOM 473 CG PRO A 62 3.596 -4.594 1.529 1.00 0.00 C ATOM 474 CD PRO A 62 2.781 -3.482 0.887 1.00 0.00 C ATOM 0 HA PRO A 62 5.781 -2.804 -0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.761 -4.826 1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.212 -3.237 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.461 -5.549 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.328 -4.749 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.816 -3.838 0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.581 -2.668 1.583 1.00 0.00 H new ATOM 475 N CYS A 63 5.388 -4.571 -2.371 1.00 0.00 N ATOM 476 CA CYS A 63 5.932 -5.463 -3.439 1.00 0.00 C ATOM 477 C CYS A 63 5.629 -6.999 -3.325 1.00 0.00 C ATOM 478 O CYS A 63 5.343 -7.572 -2.271 1.00 0.00 O ATOM 479 CB CYS A 63 7.431 -5.150 -3.666 1.00 0.00 C ATOM 480 SG CYS A 63 7.541 -3.565 -4.506 1.00 0.00 S ATOM 0 H CYS A 63 4.767 -3.850 -2.739 1.00 0.00 H new ATOM 0 HA CYS A 63 5.359 -5.213 -4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.962 -5.116 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.898 -5.932 -4.264 1.00 0.00 H new ATOM 481 N GLU A 64 5.636 -7.660 -4.494 1.00 0.00 N ATOM 482 CA GLU A 64 5.362 -9.115 -4.621 1.00 0.00 C ATOM 483 C GLU A 64 6.383 -10.051 -3.876 1.00 0.00 C ATOM 484 O GLU A 64 7.557 -9.712 -3.692 1.00 0.00 O ATOM 485 CB GLU A 64 5.263 -9.382 -6.150 1.00 0.00 C ATOM 486 CG GLU A 64 6.572 -9.281 -6.992 1.00 0.00 C ATOM 487 CD GLU A 64 6.386 -9.150 -8.502 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.436 -9.989 -8.995 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.025 -8.369 -9.200 1.00 0.00 O ATOM 0 H GLU A 64 5.832 -7.205 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 64 4.434 -9.371 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.851 -10.382 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.542 -8.679 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.142 -8.421 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.177 -10.166 -6.795 1.00 0.00 H new ATOM 490 N ARG A 65 5.926 -11.244 -3.453 1.00 0.00 N ATOM 491 CA ARG A 65 6.751 -12.182 -2.632 1.00 0.00 C ATOM 492 C ARG A 65 7.945 -12.799 -3.449 1.00 0.00 C ATOM 493 O ARG A 65 7.781 -13.685 -4.291 1.00 0.00 O ATOM 494 CB ARG A 65 5.788 -13.245 -2.034 1.00 0.00 C ATOM 495 CG ARG A 65 6.301 -13.975 -0.767 1.00 0.00 C ATOM 496 CD ARG A 65 6.290 -13.088 0.492 1.00 0.00 C ATOM 497 NE ARG A 65 6.705 -13.868 1.682 1.00 0.00 N ATOM 498 CZ ARG A 65 6.874 -13.364 2.901 1.00 0.00 C ATOM 499 NH1 ARG A 65 6.694 -12.105 3.211 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.242 -14.170 3.845 1.00 0.00 N ATOM 0 H ARG A 65 4.990 -11.592 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 65 7.242 -11.648 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.843 -12.759 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.577 -13.990 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.684 -14.856 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.317 -14.328 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.962 -12.241 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.291 -12.680 0.648 1.00 0.00 H new ATOM 0 HE ARG A 65 6.874 -14.866 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.405 -11.440 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.843 -11.789 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.393 -15.158 3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.381 -13.817 4.792 1.00 0.00 H new ATOM 501 N GLY A 66 9.144 -12.278 -3.173 1.00 0.00 N ATOM 502 CA GLY A 66 10.390 -12.607 -3.935 1.00 0.00 C ATOM 503 C GLY A 66 11.313 -11.404 -4.292 1.00 0.00 C ATOM 504 O GLY A 66 12.529 -11.578 -4.408 1.00 0.00 O ATOM 0 H GLY A 66 9.297 -11.612 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.970 -13.323 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.104 -13.107 -4.861 1.00 0.00 H new ATOM 505 N LEU A 67 10.742 -10.201 -4.470 1.00 0.00 N ATOM 506 CA LEU A 67 11.492 -8.951 -4.768 1.00 0.00 C ATOM 507 C LEU A 67 11.751 -8.113 -3.471 1.00 0.00 C ATOM 508 O LEU A 67 10.907 -8.038 -2.572 1.00 0.00 O ATOM 509 CB LEU A 67 10.649 -8.123 -5.788 1.00 0.00 C ATOM 510 CG LEU A 67 10.931 -8.382 -7.286 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.584 -9.802 -7.764 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.173 -7.363 -8.142 1.00 0.00 C ATOM 0 H LEU A 67 9.734 -10.058 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 67 12.468 -9.201 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.594 -8.322 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.814 -7.064 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 67 12.009 -8.274 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.813 -9.895 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.170 -10.529 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.522 -9.990 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.376 -7.551 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.103 -7.456 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.500 -6.356 -7.883 1.00 0.00 H new ATOM 513 N THR A 68 12.917 -7.447 -3.398 1.00 0.00 N ATOM 514 CA THR A 68 13.291 -6.612 -2.223 1.00 0.00 C ATOM 515 C THR A 68 13.029 -5.094 -2.490 1.00 0.00 C ATOM 516 O THR A 68 13.415 -4.536 -3.517 1.00 0.00 O ATOM 517 CB THR A 68 14.767 -6.921 -1.809 1.00 0.00 C ATOM 518 OG1 THR A 68 14.848 -6.978 -0.391 1.00 0.00 O ATOM 519 CG2 THR A 68 15.815 -5.887 -2.230 1.00 0.00 C ATOM 0 H THR A 68 13.622 -7.465 -4.135 1.00 0.00 H new ATOM 0 HA THR A 68 12.653 -6.870 -1.378 1.00 0.00 H new ATOM 0 HB THR A 68 14.994 -7.855 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.770 -7.173 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.799 -6.207 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.820 -5.795 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.573 -4.922 -1.785 1.00 0.00 H new ATOM 520 N CYS A 69 12.449 -4.446 -1.493 1.00 0.00 N ATOM 521 CA CYS A 69 12.197 -2.981 -1.491 1.00 0.00 C ATOM 522 C CYS A 69 13.357 -2.221 -0.760 1.00 0.00 C ATOM 523 O CYS A 69 13.492 -2.355 0.461 1.00 0.00 O ATOM 524 CB CYS A 69 10.787 -2.870 -0.874 1.00 0.00 C ATOM 525 SG CYS A 69 10.088 -1.216 -1.000 1.00 0.00 S ATOM 0 H CYS A 69 12.129 -4.912 -0.644 1.00 0.00 H new ATOM 0 HA CYS A 69 12.202 -2.497 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.123 -3.577 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.833 -3.159 0.176 1.00 0.00 H new ATOM 526 N GLU A 70 14.167 -1.390 -1.442 1.00 0.00 N ATOM 527 CA GLU A 70 15.360 -0.748 -0.796 1.00 0.00 C ATOM 528 C GLU A 70 15.054 0.672 -0.197 1.00 0.00 C ATOM 529 O GLU A 70 15.345 1.691 -0.814 1.00 0.00 O ATOM 530 CB GLU A 70 16.543 -0.739 -1.819 1.00 0.00 C ATOM 531 CG GLU A 70 16.371 0.023 -3.169 1.00 0.00 C ATOM 532 CD GLU A 70 17.671 0.343 -3.894 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.220 -0.438 -4.663 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.139 1.592 -3.595 1.00 0.00 O ATOM 0 H GLU A 70 14.034 -1.142 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 70 15.648 -1.342 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.412 -0.319 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.782 -1.776 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.741 -0.574 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.839 0.955 -2.978 1.00 0.00 H new ATOM 625 N PHE A 84 10.235 6.611 -1.935 1.00 0.00 N ATOM 626 CA PHE A 84 10.176 5.291 -1.226 1.00 0.00 C ATOM 627 C PHE A 84 11.229 4.266 -1.777 1.00 0.00 C ATOM 628 O PHE A 84 12.072 4.567 -2.632 1.00 0.00 O ATOM 629 CB PHE A 84 8.696 4.774 -1.255 1.00 0.00 C ATOM 630 CG PHE A 84 7.588 5.703 -0.730 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.571 6.101 0.612 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.650 6.238 -1.618 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.661 7.061 1.046 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.736 7.190 -1.179 1.00 0.00 C ATOM 635 CZ PHE A 84 5.755 7.615 0.147 1.00 0.00 C ATOM 0 HA PHE A 84 10.465 5.418 -0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 84 8.454 4.518 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.655 3.850 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.266 5.662 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.635 5.911 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.658 7.375 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.011 7.600 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.065 8.377 0.478 1.00 0.00 H new ATOM 636 N GLY A 85 11.224 3.043 -1.222 1.00 0.00 N ATOM 637 CA GLY A 85 12.174 1.972 -1.623 1.00 0.00 C ATOM 638 C GLY A 85 11.924 1.303 -2.984 1.00 0.00 C ATOM 639 O GLY A 85 10.802 0.891 -3.266 1.00 0.00 O ATOM 0 H GLY A 85 10.572 2.763 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.179 2.394 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.159 1.198 -0.855 1.00 0.00 H new ATOM 640 N ILE A 86 12.967 1.090 -3.798 1.00 0.00 N ATOM 641 CA ILE A 86 12.767 0.550 -5.178 1.00 0.00 C ATOM 642 C ILE A 86 12.818 -1.015 -5.127 1.00 0.00 C ATOM 643 O ILE A 86 13.688 -1.635 -4.508 1.00 0.00 O ATOM 644 CB ILE A 86 13.800 1.099 -6.232 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.986 2.641 -6.283 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.385 0.653 -7.660 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.750 3.446 -6.720 1.00 0.00 C ATOM 0 H ILE A 86 13.939 1.273 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 86 11.790 0.894 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 86 14.748 0.678 -5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 86 14.290 2.985 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.805 2.868 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 86 14.104 1.036 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.365 -0.436 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.394 1.045 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.990 4.509 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.453 3.140 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.930 3.260 -6.026 1.00 0.00 H new ATOM 648 N CYS A 87 11.852 -1.639 -5.806 1.00 0.00 N ATOM 649 CA CYS A 87 11.726 -3.109 -5.870 1.00 0.00 C ATOM 650 C CYS A 87 12.672 -3.780 -6.908 1.00 0.00 C ATOM 651 O CYS A 87 12.638 -3.455 -8.095 1.00 0.00 O ATOM 652 CB CYS A 87 10.235 -3.344 -6.098 1.00 0.00 C ATOM 653 SG CYS A 87 9.423 -2.930 -4.543 1.00 0.00 S ATOM 0 H CYS A 87 11.131 -1.144 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 87 12.062 -3.595 -4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.862 -2.721 -6.911 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.041 -4.380 -6.376 1.00 0.00 H new ATOM 654 N HIS A 88 13.529 -4.712 -6.467 1.00 0.00 N ATOM 655 CA HIS A 88 14.477 -5.427 -7.365 1.00 0.00 C ATOM 656 C HIS A 88 14.439 -6.959 -7.097 1.00 0.00 C ATOM 657 O HIS A 88 14.164 -7.437 -5.992 1.00 0.00 O ATOM 658 CB HIS A 88 15.898 -4.850 -7.177 1.00 0.00 C ATOM 659 CG HIS A 88 16.133 -3.508 -7.878 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.517 -3.420 -9.210 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.850 -2.231 -7.360 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.452 -2.058 -9.369 1.00 0.00 C ATOM 663 NE2 HIS A 88 16.089 -1.265 -8.319 1.00 0.00 N ATOM 0 H HIS A 88 13.593 -4.997 -5.490 1.00 0.00 H new ATOM 0 HA HIS A 88 14.178 -5.275 -8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.089 -4.728 -6.111 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.623 -5.573 -7.550 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.497 -2.034 -6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.688 -1.614 -10.325 1.00 0.00 H new ATOM 0 HE2 HIS A 88 16.015 -0.249 -8.259 1.00 0.00 H new ATOM 664 N ASN A 89 14.769 -7.742 -8.128 1.00 0.00 N ATOM 665 CA ASN A 89 14.671 -9.222 -8.075 1.00 0.00 C ATOM 666 C ASN A 89 16.035 -9.848 -7.648 1.00 0.00 C ATOM 667 O ASN A 89 17.102 -9.568 -8.201 1.00 0.00 O ATOM 668 CB ASN A 89 14.197 -9.673 -9.473 1.00 0.00 C ATOM 669 CG ASN A 89 13.685 -11.111 -9.568 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.444 -11.808 -8.590 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.474 -11.597 -10.761 1.00 0.00 N ATOM 0 H ASN A 89 15.110 -7.382 -9.020 1.00 0.00 H new ATOM 0 HA ASN A 89 13.959 -9.564 -7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.403 -9.002 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.024 -9.554 -10.173 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.113 -12.545 -10.869 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.670 -11.029 -11.585 1.00 0.00 H new ATOM 672 N VAL A 90 15.950 -10.687 -6.616 1.00 0.00 N ATOM 673 CA VAL A 90 17.135 -11.301 -5.944 1.00 0.00 C ATOM 674 C VAL A 90 16.908 -12.795 -5.522 1.00 0.00 C ATOM 675 O VAL A 90 17.744 -13.648 -5.831 1.00 0.00 O ATOM 676 CB VAL A 90 17.596 -10.315 -4.806 1.00 0.00 C ATOM 677 CG1 VAL A 90 16.613 -10.072 -3.635 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.978 -10.665 -4.221 1.00 0.00 C ATOM 0 H VAL A 90 15.060 -10.972 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 90 17.965 -11.410 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 90 17.638 -9.378 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.058 -9.374 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.683 -9.654 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.405 -11.017 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.236 -9.947 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.949 -11.668 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 90 19.728 -10.628 -5.011 1.00 0.00 H new