USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 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 30 HIS : no HD1:sc= 0.445 K(o=1.9,f=1.1) USER MOD Set 1.2: A 35 SER OG : rot -102:sc= 1.26 USER MOD Set 1.3: A 37 SER OG : rot -40:sc= 0.234 USER MOD Set 1.4: A 59 TYR OH : rot 180:sc= -0.0757 USER MOD Set 2.1: A 26 ASN : amide:sc= 1.03 K(o=2.2,f=-3.1!) USER MOD Set 2.2: A 53 THR OG1 : rot 173:sc= 1.23 USER MOD Set 2.3: A 58 TYR OH : rot 150:sc= -0.0144 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.426 K(o=-0.43,f=-5.7!) USER MOD Single : A 20 SER OG : rot 106:sc= 1.31 USER MOD Single : A 22 GLN : amide:sc= 0.635 K(o=0.63,f=-3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 140:sc= 0.185 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00419 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -95:sc= 1.23 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= 0.127 (180deg=-0.00949) 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) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -9.618 -9.721 3.864 1.00 0.00 N ATOM 70 CA ASN A 10 -9.862 -9.840 2.395 1.00 0.00 C ATOM 71 C ASN A 10 -9.332 -8.612 1.567 1.00 0.00 C ATOM 72 O ASN A 10 -9.879 -7.507 1.621 1.00 0.00 O ATOM 73 CB ASN A 10 -11.369 -10.153 2.136 1.00 0.00 C ATOM 74 CG ASN A 10 -12.417 -9.142 2.619 1.00 0.00 C ATOM 75 OD1 ASN A 10 -12.832 -9.126 3.771 1.00 0.00 O ATOM 76 ND2 ASN A 10 -12.880 -8.269 1.767 1.00 0.00 N ATOM 0 HA ASN A 10 -9.271 -10.678 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.502 -10.281 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.594 -11.112 2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.577 -7.587 2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.545 -8.269 0.804 1.00 0.00 H new ATOM 77 N LEU A 11 -8.283 -8.806 0.752 1.00 0.00 N ATOM 78 CA LEU A 11 -7.756 -7.774 -0.164 1.00 0.00 C ATOM 79 C LEU A 11 -8.298 -7.905 -1.629 1.00 0.00 C ATOM 80 O LEU A 11 -7.863 -8.733 -2.436 1.00 0.00 O ATOM 81 CB LEU A 11 -6.197 -7.828 -0.103 1.00 0.00 C ATOM 82 CG LEU A 11 -5.437 -7.088 -1.217 1.00 0.00 C ATOM 83 CD1 LEU A 11 -5.742 -5.595 -1.396 1.00 0.00 C ATOM 84 CD2 LEU A 11 -3.925 -7.313 -1.140 1.00 0.00 C ATOM 0 H LEU A 11 -7.772 -9.687 0.708 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.110 -6.797 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.879 -7.418 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.892 -8.874 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.839 -7.559 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.140 -5.196 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.799 -5.465 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.503 -5.062 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.435 -6.770 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.552 -6.953 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.710 -8.377 -1.236 1.00 0.00 H new ATOM 85 N ASP A 12 -9.330 -7.132 -1.919 1.00 0.00 N ATOM 86 CA ASP A 12 -9.808 -6.890 -3.295 1.00 0.00 C ATOM 87 C ASP A 12 -9.190 -5.507 -3.736 1.00 0.00 C ATOM 88 O ASP A 12 -8.983 -4.625 -2.888 1.00 0.00 O ATOM 89 CB ASP A 12 -11.346 -6.824 -3.317 1.00 0.00 C ATOM 90 CG ASP A 12 -12.110 -8.057 -2.828 1.00 0.00 C ATOM 91 OD1 ASP A 12 -12.265 -8.993 -3.807 1.00 0.00 O ATOM 92 OD2 ASP A 12 -12.531 -8.174 -1.682 1.00 0.00 O ATOM 0 H ASP A 12 -9.874 -6.644 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.508 -7.691 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.656 -5.973 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.660 -6.617 -4.340 1.00 0.00 H new ATOM 93 N GLU A 13 -8.939 -5.250 -5.034 1.00 0.00 N ATOM 94 CA GLU A 13 -8.539 -3.863 -5.468 1.00 0.00 C ATOM 95 C GLU A 13 -9.897 -3.087 -5.568 1.00 0.00 C ATOM 96 O GLU A 13 -10.715 -3.296 -6.468 1.00 0.00 O ATOM 97 CB GLU A 13 -7.638 -3.867 -6.734 1.00 0.00 C ATOM 98 CG GLU A 13 -7.391 -2.492 -7.427 1.00 0.00 C ATOM 99 CD GLU A 13 -8.467 -1.973 -8.384 1.00 0.00 C ATOM 100 OE1 GLU A 13 -8.644 -2.799 -9.454 1.00 0.00 O ATOM 101 OE2 GLU A 13 -9.075 -0.921 -8.213 1.00 0.00 O ATOM 0 H GLU A 13 -8.997 -5.939 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.881 -3.353 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.670 -4.288 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.084 -4.541 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.248 -1.744 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.454 -2.559 -7.980 1.00 0.00 H new ATOM 102 N GLY A 14 -10.124 -2.277 -4.536 1.00 0.00 N ATOM 103 CA GLY A 14 -11.402 -1.561 -4.315 1.00 0.00 C ATOM 104 C GLY A 14 -12.028 -1.726 -2.911 1.00 0.00 C ATOM 105 O GLY A 14 -13.237 -1.527 -2.781 1.00 0.00 O ATOM 0 H GLY A 14 -9.426 -2.090 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.239 -0.499 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.123 -1.905 -5.057 1.00 0.00 H new ATOM 106 N GLU A 15 -11.237 -1.987 -1.848 1.00 0.00 N ATOM 107 CA GLU A 15 -11.774 -1.995 -0.459 1.00 0.00 C ATOM 108 C GLU A 15 -11.565 -0.576 0.151 1.00 0.00 C ATOM 109 O GLU A 15 -10.443 -0.193 0.500 1.00 0.00 O ATOM 110 CB GLU A 15 -11.066 -3.074 0.411 1.00 0.00 C ATOM 111 CG GLU A 15 -11.299 -4.559 0.042 1.00 0.00 C ATOM 112 CD GLU A 15 -12.742 -5.047 0.159 1.00 0.00 C ATOM 113 OE1 GLU A 15 -13.324 -5.212 1.225 1.00 0.00 O ATOM 114 OE2 GLU A 15 -13.312 -5.281 -1.052 1.00 0.00 O ATOM 0 H GLU A 15 -10.240 -2.192 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.835 -2.244 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.993 -2.883 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.381 -2.931 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.962 -4.718 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.671 -5.178 0.684 1.00 0.00 H new ATOM 115 N LEU A 16 -12.657 0.203 0.266 1.00 0.00 N ATOM 116 CA LEU A 16 -12.635 1.546 0.919 1.00 0.00 C ATOM 117 C LEU A 16 -12.490 1.335 2.467 1.00 0.00 C ATOM 118 O LEU A 16 -13.423 0.916 3.160 1.00 0.00 O ATOM 119 CB LEU A 16 -13.894 2.354 0.491 1.00 0.00 C ATOM 120 CG LEU A 16 -13.792 3.129 -0.853 1.00 0.00 C ATOM 121 CD1 LEU A 16 -13.718 2.222 -2.095 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.996 4.071 -1.014 1.00 0.00 C ATOM 0 H LEU A 16 -13.576 -0.068 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.783 2.145 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.736 1.665 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.127 3.068 1.281 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.856 3.684 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.649 2.838 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.839 1.581 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.614 1.604 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.914 4.608 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.917 3.488 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.012 4.785 -0.191 1.00 0.00 H new ATOM 123 N CYS A 17 -11.277 1.590 2.971 1.00 0.00 N ATOM 124 CA CYS A 17 -10.889 1.274 4.363 1.00 0.00 C ATOM 125 C CYS A 17 -10.636 2.467 5.340 1.00 0.00 C ATOM 126 O CYS A 17 -10.565 3.644 4.972 1.00 0.00 O ATOM 127 CB CYS A 17 -9.561 0.487 4.150 1.00 0.00 C ATOM 128 SG CYS A 17 -8.198 1.666 3.974 1.00 0.00 S ATOM 0 H CYS A 17 -10.530 2.023 2.428 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.711 0.758 4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.377 -0.177 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.633 -0.140 3.261 1.00 0.00 H new ATOM 129 N LEU A 18 -10.434 2.097 6.612 1.00 0.00 N ATOM 130 CA LEU A 18 -9.986 3.008 7.682 1.00 0.00 C ATOM 131 C LEU A 18 -8.416 2.859 7.750 1.00 0.00 C ATOM 132 O LEU A 18 -7.697 3.805 7.437 1.00 0.00 O ATOM 133 CB LEU A 18 -10.815 2.615 8.944 1.00 0.00 C ATOM 134 CG LEU A 18 -10.373 3.244 10.280 1.00 0.00 C ATOM 135 CD1 LEU A 18 -10.468 4.779 10.293 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.196 2.674 11.446 1.00 0.00 C ATOM 0 H LEU A 18 -10.579 1.140 6.935 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.163 4.074 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.856 2.886 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.782 1.531 9.050 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.321 2.983 10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.142 5.156 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.829 5.190 9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.500 5.081 10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.869 3.131 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.252 2.891 11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.052 1.595 11.500 1.00 0.00 H new ATOM 137 N ASN A 19 -7.898 1.741 8.290 1.00 0.00 N ATOM 138 CA ASN A 19 -6.444 1.377 8.295 1.00 0.00 C ATOM 139 C ASN A 19 -6.049 0.318 7.186 1.00 0.00 C ATOM 140 O ASN A 19 -6.812 0.055 6.252 1.00 0.00 O ATOM 141 CB ASN A 19 -6.133 1.000 9.785 1.00 0.00 C ATOM 142 CG ASN A 19 -6.951 -0.150 10.390 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.964 -1.259 9.882 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.715 0.088 11.423 1.00 0.00 N ATOM 0 H ASN A 19 -8.481 1.041 8.749 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.798 2.201 7.990 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.077 0.741 9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.286 1.887 10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.313 -0.649 11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.713 1.011 11.857 1.00 0.00 H new ATOM 145 N SER A 20 -4.856 -0.309 7.289 1.00 0.00 N ATOM 146 CA SER A 20 -4.450 -1.436 6.380 1.00 0.00 C ATOM 147 C SER A 20 -4.755 -2.884 6.912 1.00 0.00 C ATOM 148 O SER A 20 -4.510 -3.845 6.176 1.00 0.00 O ATOM 149 CB SER A 20 -2.956 -1.307 6.020 1.00 0.00 C ATOM 150 OG SER A 20 -2.779 -0.328 4.997 1.00 0.00 O ATOM 0 H SER A 20 -4.151 -0.065 7.985 1.00 0.00 H new ATOM 0 HA SER A 20 -5.079 -1.327 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.384 -1.027 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.571 -2.270 5.683 1.00 0.00 H new ATOM 0 HG SER A 20 -2.392 0.484 5.385 1.00 0.00 H new ATOM 151 N ALA A 21 -5.340 -3.069 8.114 1.00 0.00 N ATOM 152 CA ALA A 21 -5.767 -4.414 8.615 1.00 0.00 C ATOM 153 C ALA A 21 -7.101 -5.008 8.017 1.00 0.00 C ATOM 154 O ALA A 21 -7.615 -6.016 8.496 1.00 0.00 O ATOM 155 CB ALA A 21 -5.867 -4.258 10.140 1.00 0.00 C ATOM 0 H ALA A 21 -5.532 -2.308 8.765 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.031 -5.148 8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.176 -5.205 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.895 -3.970 10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.601 -3.488 10.380 1.00 0.00 H new ATOM 156 N GLN A 22 -7.626 -4.389 6.956 1.00 0.00 N ATOM 157 CA GLN A 22 -8.787 -4.870 6.152 1.00 0.00 C ATOM 158 C GLN A 22 -8.315 -5.665 4.862 1.00 0.00 C ATOM 159 O GLN A 22 -8.990 -6.601 4.432 1.00 0.00 O ATOM 160 CB GLN A 22 -9.638 -3.604 5.836 1.00 0.00 C ATOM 161 CG GLN A 22 -10.526 -3.120 7.017 1.00 0.00 C ATOM 162 CD GLN A 22 -11.317 -1.838 6.754 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.941 -0.746 7.165 1.00 0.00 O ATOM 164 NE2 GLN A 22 -12.432 -1.919 6.074 1.00 0.00 N ATOM 0 H GLN A 22 -7.251 -3.506 6.609 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.392 -5.595 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.969 -2.794 5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.277 -3.815 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.227 -3.914 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.890 -2.963 7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.754 -2.823 5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.980 -1.078 5.890 1.00 0.00 H new ATOM 165 N CYS A 23 -7.177 -5.296 4.244 1.00 0.00 N ATOM 166 CA CYS A 23 -6.526 -6.028 3.126 1.00 0.00 C ATOM 167 C CYS A 23 -5.545 -7.131 3.709 1.00 0.00 C ATOM 168 O CYS A 23 -4.715 -6.844 4.573 1.00 0.00 O ATOM 169 CB CYS A 23 -5.992 -4.868 2.270 1.00 0.00 C ATOM 170 SG CYS A 23 -7.513 -4.084 1.642 1.00 0.00 S ATOM 0 H CYS A 23 -6.665 -4.456 4.512 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.132 -6.662 2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.394 -4.173 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.358 -5.225 1.459 1.00 0.00 H new ATOM 171 N LYS A 24 -5.627 -8.384 3.212 1.00 0.00 N ATOM 172 CA LYS A 24 -4.928 -9.600 3.746 1.00 0.00 C ATOM 173 C LYS A 24 -3.458 -9.547 4.226 1.00 0.00 C ATOM 174 O LYS A 24 -3.165 -10.039 5.319 1.00 0.00 O ATOM 175 CB LYS A 24 -5.096 -10.752 2.708 1.00 0.00 C ATOM 176 CG LYS A 24 -6.507 -11.329 2.541 1.00 0.00 C ATOM 177 CD LYS A 24 -6.655 -12.429 1.469 1.00 0.00 C ATOM 178 CE LYS A 24 -6.480 -11.958 0.015 1.00 0.00 C ATOM 179 NZ LYS A 24 -6.696 -13.099 -0.895 1.00 0.00 N ATOM 0 H LYS A 24 -6.201 -8.597 2.396 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.434 -9.742 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.761 -10.387 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.427 -11.565 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.830 -11.735 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.187 -10.513 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.923 -13.211 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.641 -12.882 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.188 -11.160 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.481 -11.547 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.579 -12.785 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.004 -13.846 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.658 -13.471 -0.763 1.00 0.00 H new ATOM 180 N SER A 25 -2.543 -9.016 3.419 1.00 0.00 N ATOM 181 CA SER A 25 -1.136 -8.832 3.882 1.00 0.00 C ATOM 182 C SER A 25 -1.053 -7.536 4.762 1.00 0.00 C ATOM 183 O SER A 25 -0.911 -7.597 5.981 1.00 0.00 O ATOM 184 CB SER A 25 -0.189 -8.940 2.650 1.00 0.00 C ATOM 185 OG SER A 25 -0.378 -7.901 1.683 1.00 0.00 O ATOM 0 H SER A 25 -2.725 -8.707 2.464 1.00 0.00 H new ATOM 0 HA SER A 25 -0.787 -9.618 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.845 -8.919 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.344 -9.905 2.168 1.00 0.00 H new ATOM 0 HG SER A 25 0.493 -7.608 1.343 1.00 0.00 H new ATOM 186 N ASN A 26 -1.049 -6.389 4.086 1.00 0.00 N ATOM 187 CA ASN A 26 -1.131 -5.022 4.681 1.00 0.00 C ATOM 188 C ASN A 26 -1.136 -4.062 3.438 1.00 0.00 C ATOM 189 O ASN A 26 -0.079 -3.531 3.080 1.00 0.00 O ATOM 190 CB ASN A 26 -0.090 -4.692 5.805 1.00 0.00 C ATOM 191 CG ASN A 26 1.413 -4.663 5.511 1.00 0.00 C ATOM 192 OD1 ASN A 26 2.072 -3.632 5.599 1.00 0.00 O ATOM 193 ND2 ASN A 26 2.024 -5.785 5.243 1.00 0.00 N ATOM 0 H ASN A 26 -0.987 -6.366 3.068 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.035 -4.904 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.355 -3.714 6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.244 -5.417 6.604 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.035 -5.796 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.490 -6.651 5.167 1.00 0.00 H new ATOM 194 N CYS A 27 -2.260 -3.876 2.711 1.00 0.00 N ATOM 195 CA CYS A 27 -2.245 -3.070 1.448 1.00 0.00 C ATOM 196 C CYS A 27 -3.495 -2.171 1.189 1.00 0.00 C ATOM 197 O CYS A 27 -4.177 -2.295 0.164 1.00 0.00 O ATOM 198 CB CYS A 27 -1.933 -4.057 0.290 1.00 0.00 C ATOM 199 SG CYS A 27 -1.946 -3.250 -1.339 1.00 0.00 S ATOM 0 H CYS A 27 -3.172 -4.258 2.960 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.469 -2.309 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.957 -4.512 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.666 -4.864 0.298 1.00 0.00 H new ATOM 200 N CYS A 28 -3.784 -1.224 2.100 1.00 0.00 N ATOM 201 CA CYS A 28 -4.809 -0.180 1.844 1.00 0.00 C ATOM 202 C CYS A 28 -4.009 1.018 1.251 1.00 0.00 C ATOM 203 O CYS A 28 -3.082 1.535 1.887 1.00 0.00 O ATOM 204 CB CYS A 28 -5.633 0.179 3.078 1.00 0.00 C ATOM 205 SG CYS A 28 -7.008 1.168 2.470 1.00 0.00 S ATOM 0 H CYS A 28 -3.332 -1.155 3.012 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.575 -0.528 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.989 -0.717 3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.036 0.738 3.799 1.00 0.00 H new ATOM 206 N GLN A 29 -4.332 1.426 0.017 1.00 0.00 N ATOM 207 CA GLN A 29 -3.532 2.432 -0.719 1.00 0.00 C ATOM 208 C GLN A 29 -4.153 3.873 -0.696 1.00 0.00 C ATOM 209 O GLN A 29 -5.262 4.142 -1.163 1.00 0.00 O ATOM 210 CB GLN A 29 -3.300 1.814 -2.127 1.00 0.00 C ATOM 211 CG GLN A 29 -1.921 2.157 -2.765 1.00 0.00 C ATOM 212 CD GLN A 29 -1.981 3.085 -3.964 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.841 2.681 -5.111 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.222 4.344 -3.753 1.00 0.00 N ATOM 0 H GLN A 29 -5.141 1.079 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.573 2.625 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.392 0.730 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.090 2.157 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.289 2.613 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.437 1.228 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.340 4.688 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.293 4.989 -4.540 1.00 0.00 H new ATOM 215 N HIS A 30 -3.413 4.789 -0.063 1.00 0.00 N ATOM 216 CA HIS A 30 -3.800 6.210 0.121 1.00 0.00 C ATOM 217 C HIS A 30 -3.339 7.084 -1.093 1.00 0.00 C ATOM 218 O HIS A 30 -2.134 7.197 -1.344 1.00 0.00 O ATOM 219 CB HIS A 30 -3.140 6.699 1.452 1.00 0.00 C ATOM 220 CG HIS A 30 -3.911 7.722 2.285 1.00 0.00 C ATOM 221 ND1 HIS A 30 -5.159 8.251 1.982 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.440 8.248 3.499 1.00 0.00 C ATOM 223 CE1 HIS A 30 -5.302 9.116 3.034 1.00 0.00 C ATOM 224 NE2 HIS A 30 -4.328 9.186 3.992 1.00 0.00 N ATOM 0 H HIS A 30 -2.506 4.568 0.348 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.884 6.306 0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.956 5.825 2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.168 7.127 1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.516 7.961 3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.180 9.740 3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.273 9.765 4.830 1.00 0.00 H new ATOM 225 N ASP A 31 -4.247 7.716 -1.843 1.00 0.00 N ATOM 226 CA ASP A 31 -3.876 8.634 -2.969 1.00 0.00 C ATOM 227 C ASP A 31 -3.533 10.129 -2.575 1.00 0.00 C ATOM 228 O ASP A 31 -3.931 11.055 -3.278 1.00 0.00 O ATOM 229 CB ASP A 31 -4.958 8.416 -4.069 1.00 0.00 C ATOM 230 CG ASP A 31 -6.402 8.859 -3.832 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.999 8.165 -2.828 1.00 0.00 O ATOM 232 OD2 ASP A 31 -6.955 9.743 -4.477 1.00 0.00 O ATOM 0 H ASP A 31 -5.253 7.620 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.895 8.374 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.609 8.922 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.981 7.349 -4.292 1.00 0.00 H new ATOM 233 N THR A 32 -2.738 10.321 -1.497 1.00 0.00 N ATOM 234 CA THR A 32 -2.337 11.620 -0.833 1.00 0.00 C ATOM 235 C THR A 32 -3.078 11.837 0.557 1.00 0.00 C ATOM 236 O THR A 32 -3.874 11.005 0.996 1.00 0.00 O ATOM 237 CB THR A 32 -2.221 12.890 -1.747 1.00 0.00 C ATOM 238 OG1 THR A 32 -1.216 13.745 -1.209 1.00 0.00 O ATOM 239 CG2 THR A 32 -3.474 13.762 -1.875 1.00 0.00 C ATOM 0 H THR A 32 -2.319 9.523 -1.019 1.00 0.00 H new ATOM 0 HA THR A 32 -1.282 11.480 -0.597 1.00 0.00 H new ATOM 0 HB THR A 32 -2.010 12.484 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.130 14.543 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.264 14.606 -2.532 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.288 13.170 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.762 14.131 -0.891 1.00 0.00 H new ATOM 240 N ILE A 33 -2.771 12.920 1.300 1.00 0.00 N ATOM 241 CA ILE A 33 -3.286 13.185 2.694 1.00 0.00 C ATOM 242 C ILE A 33 -4.861 13.147 2.852 1.00 0.00 C ATOM 243 O ILE A 33 -5.374 12.246 3.519 1.00 0.00 O ATOM 244 CB ILE A 33 -2.648 14.526 3.240 1.00 0.00 C ATOM 245 CG1 ILE A 33 -1.098 14.684 3.099 1.00 0.00 C ATOM 246 CG2 ILE A 33 -3.007 14.775 4.733 1.00 0.00 C ATOM 247 CD1 ILE A 33 -0.205 13.586 3.706 1.00 0.00 C ATOM 0 H ILE A 33 -2.151 13.656 0.960 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.963 12.348 3.312 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.098 15.266 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.864 14.756 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.816 15.634 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.549 15.706 5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.089 14.845 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.635 13.949 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.843 13.831 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.388 13.520 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.437 12.629 3.239 1.00 0.00 H new ATOM 248 N LEU A 34 -5.629 14.088 2.272 1.00 0.00 N ATOM 249 CA LEU A 34 -7.137 14.076 2.317 1.00 0.00 C ATOM 250 C LEU A 34 -7.798 13.465 1.024 1.00 0.00 C ATOM 251 O LEU A 34 -8.761 13.982 0.454 1.00 0.00 O ATOM 252 CB LEU A 34 -7.599 15.523 2.682 1.00 0.00 C ATOM 253 CG LEU A 34 -7.092 16.756 1.874 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.701 16.875 0.468 1.00 0.00 C ATOM 255 CD2 LEU A 34 -7.400 18.050 2.647 1.00 0.00 C ATOM 0 H LEU A 34 -5.243 14.880 1.758 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.492 13.393 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.688 15.533 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.328 15.691 3.724 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.019 16.607 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.298 17.757 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.453 15.986 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.784 16.966 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.043 18.908 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.476 18.136 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.899 18.024 3.615 1.00 0.00 H new ATOM 256 N SER A 35 -7.321 12.280 0.633 1.00 0.00 N ATOM 257 CA SER A 35 -7.695 11.616 -0.650 1.00 0.00 C ATOM 258 C SER A 35 -8.722 10.434 -0.702 1.00 0.00 C ATOM 259 O SER A 35 -9.019 9.969 -1.806 1.00 0.00 O ATOM 260 CB SER A 35 -6.324 11.130 -1.152 1.00 0.00 C ATOM 261 OG SER A 35 -5.853 9.972 -0.453 1.00 0.00 O ATOM 0 H SER A 35 -6.660 11.739 1.190 1.00 0.00 H new ATOM 0 HA SER A 35 -8.261 12.344 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.392 10.903 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.597 11.935 -1.043 1.00 0.00 H new ATOM 0 HG SER A 35 -5.171 10.238 0.198 1.00 0.00 H new ATOM 262 N LEU A 36 -9.246 9.937 0.438 1.00 0.00 N ATOM 263 CA LEU A 36 -10.119 8.717 0.521 1.00 0.00 C ATOM 264 C LEU A 36 -9.258 7.433 0.235 1.00 0.00 C ATOM 265 O LEU A 36 -8.694 7.257 -0.849 1.00 0.00 O ATOM 266 CB LEU A 36 -11.418 8.820 -0.336 1.00 0.00 C ATOM 267 CG LEU A 36 -12.517 7.756 -0.071 1.00 0.00 C ATOM 268 CD1 LEU A 36 -13.131 7.859 1.337 1.00 0.00 C ATOM 269 CD2 LEU A 36 -13.642 7.903 -1.109 1.00 0.00 C ATOM 0 H LEU A 36 -9.080 10.368 1.347 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.502 8.638 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.854 9.806 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.137 8.763 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.032 6.783 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.892 7.088 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.351 7.720 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.586 8.841 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.412 7.155 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.078 8.899 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.235 7.760 -2.110 1.00 0.00 H new ATOM 270 N SER A 37 -9.189 6.501 1.193 1.00 0.00 N ATOM 271 CA SER A 37 -8.277 5.332 1.101 1.00 0.00 C ATOM 272 C SER A 37 -8.929 4.039 0.518 1.00 0.00 C ATOM 273 O SER A 37 -9.928 3.530 1.029 1.00 0.00 O ATOM 274 CB SER A 37 -7.784 5.093 2.540 1.00 0.00 C ATOM 275 OG SER A 37 -7.109 6.222 3.112 1.00 0.00 O ATOM 0 H SER A 37 -9.750 6.525 2.045 1.00 0.00 H new ATOM 0 HA SER A 37 -7.474 5.554 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.636 4.833 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.110 4.236 2.546 1.00 0.00 H new ATOM 0 HG SER A 37 -6.535 6.637 2.435 1.00 0.00 H new ATOM 276 N ARG A 38 -8.316 3.499 -0.543 1.00 0.00 N ATOM 277 CA ARG A 38 -8.834 2.330 -1.312 1.00 0.00 C ATOM 278 C ARG A 38 -7.696 1.277 -1.531 1.00 0.00 C ATOM 279 O ARG A 38 -6.586 1.639 -1.930 1.00 0.00 O ATOM 280 CB ARG A 38 -9.368 2.933 -2.645 1.00 0.00 C ATOM 281 CG ARG A 38 -9.929 1.936 -3.684 1.00 0.00 C ATOM 282 CD ARG A 38 -10.390 2.645 -4.972 1.00 0.00 C ATOM 283 NE ARG A 38 -10.673 1.657 -6.048 1.00 0.00 N ATOM 284 CZ ARG A 38 -11.876 1.252 -6.441 1.00 0.00 C ATOM 285 NH1 ARG A 38 -13.001 1.660 -5.914 1.00 0.00 N ATOM 286 NH2 ARG A 38 -11.932 0.375 -7.393 1.00 0.00 N ATOM 0 H ARG A 38 -7.433 3.857 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.626 1.791 -0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.153 3.650 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.558 3.493 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.164 1.199 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.768 1.392 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.285 3.233 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.620 3.341 -5.305 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.869 1.253 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.991 2.334 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.889 1.304 -6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.072 0.021 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.836 0.038 -7.724 1.00 0.00 H new ATOM 287 N CYS A 39 -7.930 -0.035 -1.316 1.00 0.00 N ATOM 288 CA CYS A 39 -6.888 -1.061 -1.573 1.00 0.00 C ATOM 289 C CYS A 39 -6.573 -1.289 -3.084 1.00 0.00 C ATOM 290 O CYS A 39 -7.391 -1.114 -3.990 1.00 0.00 O ATOM 291 CB CYS A 39 -7.291 -2.375 -0.891 1.00 0.00 C ATOM 292 SG CYS A 39 -7.281 -2.251 0.899 1.00 0.00 S ATOM 0 H CYS A 39 -8.814 -0.408 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.960 -0.682 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.287 -2.664 -1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.608 -3.166 -1.201 1.00 0.00 H new ATOM 293 N ALA A 40 -5.320 -1.688 -3.301 1.00 0.00 N ATOM 294 CA ALA A 40 -4.719 -1.852 -4.638 1.00 0.00 C ATOM 295 C ALA A 40 -3.797 -3.111 -4.754 1.00 0.00 C ATOM 296 O ALA A 40 -3.697 -3.950 -3.853 1.00 0.00 O ATOM 297 CB ALA A 40 -4.008 -0.495 -4.830 1.00 0.00 C ATOM 0 H ALA A 40 -4.676 -1.912 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.438 -2.060 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.511 -0.479 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.742 0.310 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.269 -0.357 -4.041 1.00 0.00 H new ATOM 298 N LEU A 41 -3.129 -3.247 -5.905 1.00 0.00 N ATOM 299 CA LEU A 41 -2.131 -4.327 -6.134 1.00 0.00 C ATOM 300 C LEU A 41 -0.741 -3.998 -5.482 1.00 0.00 C ATOM 301 O LEU A 41 -0.324 -2.840 -5.368 1.00 0.00 O ATOM 302 CB LEU A 41 -1.990 -4.549 -7.671 1.00 0.00 C ATOM 303 CG LEU A 41 -3.224 -5.093 -8.442 1.00 0.00 C ATOM 304 CD1 LEU A 41 -2.940 -5.093 -9.953 1.00 0.00 C ATOM 305 CD2 LEU A 41 -3.616 -6.517 -8.011 1.00 0.00 C ATOM 0 H LEU A 41 -3.254 -2.625 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.482 -5.240 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.706 -3.598 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.162 -5.239 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.057 -4.431 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.810 -5.476 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.730 -4.076 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.078 -5.727 -10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.484 -6.844 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.783 -7.195 -8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.859 -6.522 -6.948 1.00 0.00 H new ATOM 306 N LYS A 42 -0.017 -5.046 -5.065 1.00 0.00 N ATOM 307 CA LYS A 42 1.369 -4.914 -4.522 1.00 0.00 C ATOM 308 C LYS A 42 2.420 -4.505 -5.610 1.00 0.00 C ATOM 309 O LYS A 42 2.266 -4.822 -6.795 1.00 0.00 O ATOM 310 CB LYS A 42 1.743 -6.260 -3.844 1.00 0.00 C ATOM 311 CG LYS A 42 1.008 -6.550 -2.514 1.00 0.00 C ATOM 312 CD LYS A 42 1.415 -7.860 -1.812 1.00 0.00 C ATOM 313 CE LYS A 42 0.967 -9.137 -2.542 1.00 0.00 C ATOM 314 NZ LYS A 42 1.382 -10.307 -1.747 1.00 0.00 N ATOM 0 H LYS A 42 -0.359 -6.007 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 42 1.388 -4.102 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.534 -7.071 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.817 -6.269 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.186 -5.720 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.064 -6.579 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.500 -7.879 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.995 -7.865 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.115 -9.136 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.411 -9.179 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.085 -11.178 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.417 -10.306 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.938 -10.264 -0.808 1.00 0.00 H new ATOM 315 N ALA A 43 3.521 -3.839 -5.207 1.00 0.00 N ATOM 316 CA ALA A 43 4.504 -3.310 -6.183 1.00 0.00 C ATOM 317 C ALA A 43 5.407 -4.414 -6.840 1.00 0.00 C ATOM 318 O ALA A 43 5.672 -5.500 -6.313 1.00 0.00 O ATOM 319 CB ALA A 43 5.325 -2.233 -5.442 1.00 0.00 C ATOM 0 H ALA A 43 3.752 -3.655 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 43 3.978 -2.881 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.066 -1.810 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.659 -1.443 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.830 -2.684 -4.588 1.00 0.00 H new ATOM 320 N ARG A 44 5.825 -4.097 -8.061 1.00 0.00 N ATOM 321 CA ARG A 44 6.605 -5.010 -8.942 1.00 0.00 C ATOM 322 C ARG A 44 7.995 -4.402 -9.282 1.00 0.00 C ATOM 323 O ARG A 44 8.271 -3.229 -9.033 1.00 0.00 O ATOM 324 CB ARG A 44 5.730 -5.315 -10.197 1.00 0.00 C ATOM 325 CG ARG A 44 4.777 -6.500 -9.950 1.00 0.00 C ATOM 326 CD ARG A 44 3.745 -6.719 -11.063 1.00 0.00 C ATOM 327 NE ARG A 44 2.815 -7.796 -10.637 1.00 0.00 N ATOM 328 CZ ARG A 44 1.902 -8.367 -11.413 1.00 0.00 C ATOM 329 NH1 ARG A 44 1.762 -8.120 -12.689 1.00 0.00 N ATOM 330 NH2 ARG A 44 1.096 -9.225 -10.869 1.00 0.00 N ATOM 0 H ARG A 44 5.638 -3.190 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 44 6.827 -5.951 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.151 -4.430 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.376 -5.538 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.368 -7.409 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.251 -6.339 -9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.195 -5.798 -11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.243 -6.994 -11.993 1.00 0.00 H new ATOM 0 HE ARG A 44 2.883 -8.122 -9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.378 -7.450 -13.149 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.037 -8.597 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.176 -9.441 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.382 -9.684 -11.435 1.00 0.00 H new ATOM 331 N GLU A 45 8.880 -5.222 -9.864 1.00 0.00 N ATOM 332 CA GLU A 45 10.298 -4.843 -10.138 1.00 0.00 C ATOM 333 C GLU A 45 10.452 -3.502 -10.942 1.00 0.00 C ATOM 334 O GLU A 45 9.945 -3.350 -12.055 1.00 0.00 O ATOM 335 CB GLU A 45 10.982 -6.049 -10.837 1.00 0.00 C ATOM 336 CG GLU A 45 12.527 -5.932 -10.921 1.00 0.00 C ATOM 337 CD GLU A 45 13.216 -7.124 -11.569 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.153 -7.084 -12.927 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.772 -8.016 -10.939 1.00 0.00 O ATOM 0 H GLU A 45 8.647 -6.169 -10.163 1.00 0.00 H new ATOM 0 HA GLU A 45 10.797 -4.628 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.725 -6.962 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.579 -6.149 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.781 -5.033 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.924 -5.802 -9.914 1.00 0.00 H new ATOM 340 N ASN A 46 11.160 -2.551 -10.315 1.00 0.00 N ATOM 341 CA ASN A 46 11.321 -1.130 -10.785 1.00 0.00 C ATOM 342 C ASN A 46 10.078 -0.203 -10.456 1.00 0.00 C ATOM 343 O ASN A 46 9.901 0.842 -11.088 1.00 0.00 O ATOM 344 CB ASN A 46 11.805 -1.004 -12.264 1.00 0.00 C ATOM 345 CG ASN A 46 13.152 -1.648 -12.565 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.206 -1.189 -12.143 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.166 -2.723 -13.303 1.00 0.00 N ATOM 0 H ASN A 46 11.657 -2.734 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 46 12.140 -0.738 -10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.053 -1.452 -12.914 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.861 0.054 -12.522 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.052 -3.177 -13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.291 -3.110 -13.657 1.00 0.00 H new ATOM 348 N SER A 47 9.277 -0.515 -9.413 1.00 0.00 N ATOM 349 CA SER A 47 8.154 0.338 -8.934 1.00 0.00 C ATOM 350 C SER A 47 8.298 0.624 -7.400 1.00 0.00 C ATOM 351 O SER A 47 8.893 -0.142 -6.635 1.00 0.00 O ATOM 352 CB SER A 47 6.821 -0.356 -9.301 1.00 0.00 C ATOM 353 OG SER A 47 5.719 0.528 -9.082 1.00 0.00 O ATOM 0 H SER A 47 9.389 -1.372 -8.872 1.00 0.00 H new ATOM 0 HA SER A 47 8.172 1.312 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.842 -0.668 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.696 -1.257 -8.701 1.00 0.00 H new ATOM 0 HG SER A 47 4.884 0.075 -9.320 1.00 0.00 H new ATOM 354 N GLU A 48 7.729 1.747 -6.946 1.00 0.00 N ATOM 355 CA GLU A 48 7.876 2.257 -5.571 1.00 0.00 C ATOM 356 C GLU A 48 7.275 1.370 -4.418 1.00 0.00 C ATOM 357 O GLU A 48 6.123 0.930 -4.424 1.00 0.00 O ATOM 358 CB GLU A 48 7.279 3.691 -5.598 1.00 0.00 C ATOM 359 CG GLU A 48 7.726 4.550 -4.391 1.00 0.00 C ATOM 360 CD GLU A 48 7.215 5.987 -4.377 1.00 0.00 C ATOM 361 OE1 GLU A 48 5.857 6.056 -4.378 1.00 0.00 O ATOM 362 OE2 GLU A 48 7.944 6.973 -4.325 1.00 0.00 O ATOM 0 H GLU A 48 7.142 2.340 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 48 8.933 2.241 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.578 4.187 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.191 3.626 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.396 4.058 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.816 4.571 -4.367 1.00 0.00 H new ATOM 363 N CYS A 49 8.128 1.168 -3.415 1.00 0.00 N ATOM 364 CA CYS A 49 7.832 0.414 -2.169 1.00 0.00 C ATOM 365 C CYS A 49 8.465 1.062 -0.895 1.00 0.00 C ATOM 366 O CYS A 49 9.599 1.551 -0.914 1.00 0.00 O ATOM 367 CB CYS A 49 8.402 -1.005 -2.340 1.00 0.00 C ATOM 368 SG CYS A 49 10.209 -1.001 -2.396 1.00 0.00 S ATOM 0 H CYS A 49 9.081 1.532 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 49 6.752 0.414 -2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.065 -1.634 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.011 -1.446 -3.257 1.00 0.00 H new ATOM 369 N SER A 50 7.753 1.041 0.242 1.00 0.00 N ATOM 370 CA SER A 50 8.345 1.452 1.547 1.00 0.00 C ATOM 371 C SER A 50 9.024 0.190 2.151 1.00 0.00 C ATOM 372 O SER A 50 8.428 -0.893 2.196 1.00 0.00 O ATOM 373 CB SER A 50 7.268 2.012 2.497 1.00 0.00 C ATOM 374 OG SER A 50 7.810 2.356 3.777 1.00 0.00 O ATOM 0 H SER A 50 6.777 0.749 0.296 1.00 0.00 H new ATOM 0 HA SER A 50 9.073 2.251 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.811 2.894 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.477 1.273 2.625 1.00 0.00 H new ATOM 0 HG SER A 50 7.678 1.611 4.399 1.00 0.00 H new ATOM 375 N ALA A 51 10.254 0.330 2.662 1.00 0.00 N ATOM 376 CA ALA A 51 10.994 -0.843 3.208 1.00 0.00 C ATOM 377 C ALA A 51 10.457 -1.424 4.573 1.00 0.00 C ATOM 378 O ALA A 51 10.647 -2.603 4.876 1.00 0.00 O ATOM 379 CB ALA A 51 12.449 -0.358 3.318 1.00 0.00 C ATOM 0 H ALA A 51 10.758 1.215 2.714 1.00 0.00 H new ATOM 0 HA ALA A 51 10.867 -1.698 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.071 -1.161 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.812 -0.070 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.497 0.501 3.987 1.00 0.00 H new ATOM 380 N PHE A 52 9.802 -0.580 5.376 1.00 0.00 N ATOM 381 CA PHE A 52 9.079 -0.957 6.611 1.00 0.00 C ATOM 382 C PHE A 52 7.621 -0.378 6.513 1.00 0.00 C ATOM 383 O PHE A 52 7.347 0.611 5.813 1.00 0.00 O ATOM 384 CB PHE A 52 9.850 -0.433 7.867 1.00 0.00 C ATOM 385 CG PHE A 52 9.829 1.093 8.115 1.00 0.00 C ATOM 386 CD1 PHE A 52 10.723 1.913 7.424 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.834 1.679 8.910 1.00 0.00 C ATOM 388 CE1 PHE A 52 10.623 3.298 7.510 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.735 3.065 8.996 1.00 0.00 C ATOM 390 CZ PHE A 52 9.630 3.874 8.299 1.00 0.00 C ATOM 0 H PHE A 52 9.754 0.421 5.184 1.00 0.00 H new ATOM 0 HA PHE A 52 9.018 -2.040 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.438 -0.925 8.748 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.890 -0.749 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.498 1.469 6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.143 1.054 9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.314 3.925 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.963 3.514 9.604 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.554 4.949 8.371 1.00 0.00 H new ATOM 391 N THR A 53 6.691 -0.971 7.262 1.00 0.00 N ATOM 392 CA THR A 53 5.305 -0.440 7.390 1.00 0.00 C ATOM 393 C THR A 53 4.906 -0.324 8.895 1.00 0.00 C ATOM 394 O THR A 53 5.476 -0.925 9.812 1.00 0.00 O ATOM 395 CB THR A 53 4.247 -1.260 6.582 1.00 0.00 C ATOM 396 OG1 THR A 53 4.365 -2.665 6.774 1.00 0.00 O ATOM 397 CG2 THR A 53 4.305 -1.002 5.073 1.00 0.00 C ATOM 0 H THR A 53 6.859 -1.823 7.797 1.00 0.00 H new ATOM 0 HA THR A 53 5.307 0.555 6.944 1.00 0.00 H new ATOM 0 HB THR A 53 3.295 -0.908 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.609 -3.118 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.545 -1.602 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.121 0.054 4.877 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.290 -1.275 4.695 1.00 0.00 H new ATOM 398 N LEU A 54 3.881 0.504 9.118 1.00 0.00 N ATOM 399 CA LEU A 54 3.241 0.690 10.440 1.00 0.00 C ATOM 400 C LEU A 54 1.979 -0.252 10.452 1.00 0.00 C ATOM 401 O LEU A 54 2.124 -1.471 10.314 1.00 0.00 O ATOM 402 CB LEU A 54 3.109 2.248 10.599 1.00 0.00 C ATOM 403 CG LEU A 54 2.184 3.065 9.628 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.444 4.205 10.345 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.938 3.676 8.429 1.00 0.00 C ATOM 0 H LEU A 54 3.462 1.074 8.383 1.00 0.00 H new ATOM 0 HA LEU A 54 3.764 0.381 11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.763 2.441 11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.112 2.667 10.519 1.00 0.00 H new ATOM 0 HG LEU A 54 1.471 2.327 9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.818 4.739 9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.819 3.792 11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.169 4.894 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.237 4.226 7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.710 4.355 8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.400 2.880 7.846 1.00 0.00 H new ATOM 406 N TYR A 55 0.759 0.248 10.657 1.00 0.00 N ATOM 407 CA TYR A 55 -0.495 -0.566 10.494 1.00 0.00 C ATOM 408 C TYR A 55 -1.648 0.231 9.746 1.00 0.00 C ATOM 409 O TYR A 55 -2.757 -0.283 9.571 1.00 0.00 O ATOM 410 CB TYR A 55 -0.867 -1.214 11.873 1.00 0.00 C ATOM 411 CG TYR A 55 -2.054 -0.630 12.656 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.916 0.548 13.392 1.00 0.00 C ATOM 413 CD2 TYR A 55 -3.316 -1.222 12.530 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.033 1.137 13.984 1.00 0.00 C ATOM 415 CE2 TYR A 55 -4.430 -0.631 13.119 1.00 0.00 C ATOM 416 CZ TYR A 55 -4.289 0.549 13.842 1.00 0.00 C ATOM 417 OH TYR A 55 -5.391 1.139 14.399 1.00 0.00 O ATOM 0 H TYR A 55 0.589 1.214 10.938 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.324 -1.398 9.811 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.071 -2.271 11.700 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.013 -1.160 12.514 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.943 1.004 13.503 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.426 -2.141 11.974 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.925 2.049 14.553 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.403 -1.088 13.015 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.185 0.599 14.204 1.00 0.00 H new ATOM 418 N GLY A 56 -1.389 1.471 9.291 1.00 0.00 N ATOM 419 CA GLY A 56 -2.409 2.350 8.674 1.00 0.00 C ATOM 420 C GLY A 56 -2.357 2.361 7.144 1.00 0.00 C ATOM 421 O GLY A 56 -1.787 1.481 6.502 1.00 0.00 O ATOM 0 H GLY A 56 -0.463 1.896 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.399 2.026 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.272 3.367 9.042 1.00 0.00 H new ATOM 422 N VAL A 57 -2.966 3.370 6.538 1.00 0.00 N ATOM 423 CA VAL A 57 -3.065 3.443 5.045 1.00 0.00 C ATOM 424 C VAL A 57 -1.714 3.962 4.447 1.00 0.00 C ATOM 425 O VAL A 57 -1.076 4.901 4.936 1.00 0.00 O ATOM 426 CB VAL A 57 -4.297 4.269 4.582 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.596 4.033 3.091 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.590 3.882 5.318 1.00 0.00 C ATOM 0 H VAL A 57 -3.401 4.151 7.029 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.233 2.439 4.655 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.029 5.304 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.463 4.624 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.733 4.332 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.804 2.976 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.414 4.493 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.810 2.830 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.463 4.048 6.388 1.00 0.00 H new ATOM 429 N TYR A 58 -1.304 3.315 3.358 1.00 0.00 N ATOM 430 CA TYR A 58 0.023 3.513 2.741 1.00 0.00 C ATOM 431 C TYR A 58 -0.013 4.205 1.355 1.00 0.00 C ATOM 432 O TYR A 58 -0.807 3.876 0.476 1.00 0.00 O ATOM 433 CB TYR A 58 0.627 2.082 2.613 1.00 0.00 C ATOM 434 CG TYR A 58 0.756 1.224 3.890 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.218 1.762 5.099 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.288 -0.092 3.861 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.237 0.980 6.251 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.331 -0.873 5.010 1.00 0.00 C ATOM 439 CZ TYR A 58 0.788 -0.335 6.205 1.00 0.00 C ATOM 440 OH TYR A 58 0.799 -1.101 7.337 1.00 0.00 O ATOM 0 H TYR A 58 -1.882 2.631 2.869 1.00 0.00 H new ATOM 0 HA TYR A 58 0.616 4.185 3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.018 1.527 1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.621 2.179 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.560 2.786 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.108 -0.503 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.600 1.395 7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.007 -1.903 4.973 1.00 0.00 H new ATOM 0 HH TYR A 58 0.073 -1.758 7.295 1.00 0.00 H new ATOM 441 N TYR A 59 0.941 5.098 1.115 1.00 0.00 N ATOM 442 CA TYR A 59 1.125 5.766 -0.219 1.00 0.00 C ATOM 443 C TYR A 59 1.703 4.864 -1.390 1.00 0.00 C ATOM 444 O TYR A 59 1.885 5.328 -2.516 1.00 0.00 O ATOM 445 CB TYR A 59 2.027 7.006 0.110 1.00 0.00 C ATOM 446 CG TYR A 59 1.354 8.080 0.997 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.206 8.727 0.531 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.733 8.238 2.337 1.00 0.00 C ATOM 449 CE1 TYR A 59 -0.592 9.448 1.411 1.00 0.00 C ATOM 450 CE2 TYR A 59 0.951 9.010 3.199 1.00 0.00 C ATOM 451 CZ TYR A 59 -0.217 9.600 2.736 1.00 0.00 C ATOM 452 OH TYR A 59 -1.050 10.253 3.602 1.00 0.00 O ATOM 0 H TYR A 59 1.617 5.395 1.819 1.00 0.00 H new ATOM 0 HA TYR A 59 0.157 6.029 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.932 6.658 0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.338 7.470 -0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.061 8.667 -0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.631 7.762 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.511 9.893 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.255 9.148 4.226 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.643 10.275 4.493 1.00 0.00 H new ATOM 453 N LYS A 60 2.015 3.592 -1.093 1.00 0.00 N ATOM 454 CA LYS A 60 2.667 2.595 -1.959 1.00 0.00 C ATOM 455 C LYS A 60 2.525 1.199 -1.246 1.00 0.00 C ATOM 456 O LYS A 60 2.936 1.044 -0.088 1.00 0.00 O ATOM 457 CB LYS A 60 4.157 2.991 -2.212 1.00 0.00 C ATOM 458 CG LYS A 60 5.185 2.968 -1.044 1.00 0.00 C ATOM 459 CD LYS A 60 5.026 4.009 0.090 1.00 0.00 C ATOM 460 CE LYS A 60 4.263 3.540 1.344 1.00 0.00 C ATOM 461 NZ LYS A 60 4.339 4.560 2.409 1.00 0.00 N ATOM 0 H LYS A 60 1.803 3.205 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 60 2.197 2.546 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.539 2.331 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.157 4.001 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.154 1.976 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.179 3.092 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.020 4.336 0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.514 4.882 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.220 3.347 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.683 2.600 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.687 4.122 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.990 5.317 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.394 4.961 2.574 1.00 0.00 H new ATOM 462 N CYS A 61 1.944 0.164 -1.874 1.00 0.00 N ATOM 463 CA CYS A 61 1.929 -1.205 -1.269 1.00 0.00 C ATOM 464 C CYS A 61 3.385 -1.854 -1.286 1.00 0.00 C ATOM 465 O CYS A 61 4.012 -1.882 -2.353 1.00 0.00 O ATOM 466 CB CYS A 61 0.861 -2.041 -1.990 1.00 0.00 C ATOM 467 SG CYS A 61 -0.789 -1.605 -1.403 1.00 0.00 S ATOM 0 H CYS A 61 1.484 0.231 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 61 1.657 -1.161 -0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.926 -1.875 -3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.045 -3.102 -1.819 1.00 0.00 H new ATOM 468 N PRO A 62 3.957 -2.398 -0.164 1.00 0.00 N ATOM 469 CA PRO A 62 5.383 -2.861 -0.113 1.00 0.00 C ATOM 470 C PRO A 62 5.772 -4.226 -0.790 1.00 0.00 C ATOM 471 O PRO A 62 6.053 -5.220 -0.118 1.00 0.00 O ATOM 472 CB PRO A 62 5.612 -2.832 1.416 1.00 0.00 C ATOM 473 CG PRO A 62 4.266 -3.255 2.005 1.00 0.00 C ATOM 474 CD PRO A 62 3.262 -2.501 1.139 1.00 0.00 C ATOM 0 HA PRO A 62 6.030 -2.231 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.409 -3.514 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.901 -1.838 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.120 -4.334 1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.180 -2.979 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.319 -3.041 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.030 -1.519 1.552 1.00 0.00 H new ATOM 475 N CYS A 63 5.869 -4.216 -2.131 1.00 0.00 N ATOM 476 CA CYS A 63 6.328 -5.365 -2.978 1.00 0.00 C ATOM 477 C CYS A 63 5.484 -6.696 -2.898 1.00 0.00 C ATOM 478 O CYS A 63 4.937 -7.095 -1.867 1.00 0.00 O ATOM 479 CB CYS A 63 7.841 -5.639 -2.762 1.00 0.00 C ATOM 480 SG CYS A 63 8.855 -4.170 -3.045 1.00 0.00 S ATOM 0 H CYS A 63 5.627 -3.394 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 63 6.148 -5.023 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.001 -5.997 -1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.163 -6.434 -3.434 1.00 0.00 H new ATOM 481 N GLU A 64 5.382 -7.403 -4.036 1.00 0.00 N ATOM 482 CA GLU A 64 4.721 -8.737 -4.124 1.00 0.00 C ATOM 483 C GLU A 64 5.438 -9.899 -3.333 1.00 0.00 C ATOM 484 O GLU A 64 6.622 -9.814 -2.995 1.00 0.00 O ATOM 485 CB GLU A 64 4.562 -9.027 -5.648 1.00 0.00 C ATOM 486 CG GLU A 64 5.856 -9.378 -6.444 1.00 0.00 C ATOM 487 CD GLU A 64 5.757 -9.510 -7.965 1.00 0.00 C ATOM 488 OE1 GLU A 64 4.510 -9.835 -8.409 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.715 -9.340 -8.712 1.00 0.00 O ATOM 0 H GLU A 64 5.753 -7.074 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 64 3.756 -8.703 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.860 -9.852 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.106 -8.153 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.600 -8.612 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.242 -10.319 -6.053 1.00 0.00 H new ATOM 490 N ARG A 65 4.721 -11.010 -3.063 1.00 0.00 N ATOM 491 CA ARG A 65 5.260 -12.165 -2.277 1.00 0.00 C ATOM 492 C ARG A 65 6.481 -12.857 -2.985 1.00 0.00 C ATOM 493 O ARG A 65 6.344 -13.533 -4.008 1.00 0.00 O ATOM 494 CB ARG A 65 4.076 -13.139 -2.016 1.00 0.00 C ATOM 495 CG ARG A 65 4.239 -14.151 -0.851 1.00 0.00 C ATOM 496 CD ARG A 65 5.183 -15.333 -1.132 1.00 0.00 C ATOM 497 NE ARG A 65 5.170 -16.273 0.017 1.00 0.00 N ATOM 498 CZ ARG A 65 5.961 -17.333 0.139 1.00 0.00 C ATOM 499 NH1 ARG A 65 6.853 -17.693 -0.749 1.00 0.00 N ATOM 500 NH2 ARG A 65 5.844 -18.058 1.208 1.00 0.00 N ATOM 0 H ARG A 65 3.759 -11.142 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 65 5.665 -11.818 -1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.183 -12.543 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.893 -13.703 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.605 -13.615 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.256 -14.546 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.872 -15.850 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.196 -14.968 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 65 4.504 -16.091 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.974 -17.146 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.427 -18.521 -0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.160 -17.807 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.436 -18.879 1.334 1.00 0.00 H new ATOM 501 N GLY A 66 7.667 -12.664 -2.395 1.00 0.00 N ATOM 502 CA GLY A 66 8.964 -13.123 -2.988 1.00 0.00 C ATOM 503 C GLY A 66 9.971 -12.031 -3.453 1.00 0.00 C ATOM 504 O GLY A 66 11.168 -12.308 -3.547 1.00 0.00 O ATOM 0 H GLY A 66 7.773 -12.190 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.466 -13.751 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.736 -13.756 -3.845 1.00 0.00 H new ATOM 505 N LEU A 67 9.500 -10.814 -3.755 1.00 0.00 N ATOM 506 CA LEU A 67 10.338 -9.682 -4.234 1.00 0.00 C ATOM 507 C LEU A 67 10.688 -8.687 -3.069 1.00 0.00 C ATOM 508 O LEU A 67 9.858 -8.424 -2.193 1.00 0.00 O ATOM 509 CB LEU A 67 9.496 -9.021 -5.363 1.00 0.00 C ATOM 510 CG LEU A 67 10.293 -8.191 -6.393 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.007 -9.081 -7.421 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.350 -7.261 -7.155 1.00 0.00 C ATOM 0 H LEU A 67 8.512 -10.574 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 67 11.309 -10.009 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.956 -9.804 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.749 -8.375 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 67 11.038 -7.624 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.555 -8.455 -8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.703 -9.744 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.270 -9.676 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.920 -6.679 -7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.598 -7.853 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.859 -6.587 -6.454 1.00 0.00 H new ATOM 513 N THR A 68 11.905 -8.112 -3.051 1.00 0.00 N ATOM 514 CA THR A 68 12.370 -7.246 -1.921 1.00 0.00 C ATOM 515 C THR A 68 12.227 -5.715 -2.191 1.00 0.00 C ATOM 516 O THR A 68 12.182 -5.256 -3.332 1.00 0.00 O ATOM 517 CB THR A 68 13.857 -7.631 -1.590 1.00 0.00 C ATOM 518 OG1 THR A 68 14.030 -7.604 -0.179 1.00 0.00 O ATOM 519 CG2 THR A 68 14.972 -6.725 -2.139 1.00 0.00 C ATOM 0 H THR A 68 12.591 -8.223 -3.798 1.00 0.00 H new ATOM 0 HA THR A 68 11.721 -7.434 -1.066 1.00 0.00 H new ATOM 0 HB THR A 68 13.970 -8.601 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.954 -7.844 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.942 -7.115 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.919 -6.702 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.846 -5.715 -1.748 1.00 0.00 H new ATOM 520 N CYS A 69 12.207 -4.930 -1.108 1.00 0.00 N ATOM 521 CA CYS A 69 12.245 -3.450 -1.199 1.00 0.00 C ATOM 522 C CYS A 69 13.720 -2.925 -1.084 1.00 0.00 C ATOM 523 O CYS A 69 14.403 -3.172 -0.084 1.00 0.00 O ATOM 524 CB CYS A 69 11.295 -2.872 -0.139 1.00 0.00 C ATOM 525 SG CYS A 69 10.980 -1.141 -0.542 1.00 0.00 S ATOM 0 H CYS A 69 12.165 -5.287 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 69 11.895 -3.110 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.361 -3.433 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.738 -2.956 0.854 1.00 0.00 H new ATOM 526 N GLU A 70 14.203 -2.161 -2.069 1.00 0.00 N ATOM 527 CA GLU A 70 15.554 -1.535 -2.044 1.00 0.00 C ATOM 528 C GLU A 70 15.418 -0.064 -1.530 1.00 0.00 C ATOM 529 O GLU A 70 14.695 0.745 -2.122 1.00 0.00 O ATOM 530 CB GLU A 70 16.114 -1.639 -3.488 1.00 0.00 C ATOM 531 CG GLU A 70 17.575 -1.162 -3.683 1.00 0.00 C ATOM 532 CD GLU A 70 18.091 -1.397 -5.099 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.646 -0.459 -5.976 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.812 -2.337 -5.414 1.00 0.00 O ATOM 0 H GLU A 70 13.675 -1.951 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 70 16.248 -2.032 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.046 -2.678 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.471 -1.058 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.639 -0.099 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.220 -1.683 -2.975 1.00 0.00 H new ATOM 625 N PHE A 84 9.911 7.288 -1.900 1.00 0.00 N ATOM 626 CA PHE A 84 10.247 6.027 -1.176 1.00 0.00 C ATOM 627 C PHE A 84 11.126 5.046 -2.033 1.00 0.00 C ATOM 628 O PHE A 84 11.415 5.284 -3.211 1.00 0.00 O ATOM 629 CB PHE A 84 8.886 5.401 -0.715 1.00 0.00 C ATOM 630 CG PHE A 84 7.848 6.290 0.020 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.838 6.417 1.413 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.847 6.923 -0.728 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.818 7.133 2.045 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.835 7.639 -0.100 1.00 0.00 C ATOM 635 CZ PHE A 84 5.808 7.725 1.286 1.00 0.00 C ATOM 0 HA PHE A 84 10.875 6.237 -0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 84 8.398 4.992 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.118 4.560 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.620 5.961 2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.862 6.854 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.811 7.228 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.072 8.127 -0.688 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.003 8.251 1.777 1.00 0.00 H new ATOM 636 N GLY A 85 11.537 3.911 -1.435 1.00 0.00 N ATOM 637 CA GLY A 85 12.347 2.873 -2.138 1.00 0.00 C ATOM 638 C GLY A 85 11.733 2.167 -3.376 1.00 0.00 C ATOM 639 O GLY A 85 10.623 2.475 -3.799 1.00 0.00 O ATOM 0 H GLY A 85 11.325 3.681 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.282 3.338 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.603 2.103 -1.410 1.00 0.00 H new ATOM 640 N ILE A 86 12.472 1.227 -3.981 1.00 0.00 N ATOM 641 CA ILE A 86 12.052 0.550 -5.254 1.00 0.00 C ATOM 642 C ILE A 86 12.077 -1.010 -5.080 1.00 0.00 C ATOM 643 O ILE A 86 13.011 -1.576 -4.514 1.00 0.00 O ATOM 644 CB ILE A 86 12.978 1.016 -6.443 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.036 2.556 -6.691 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.565 0.358 -7.784 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.722 3.217 -7.145 1.00 0.00 C ATOM 0 H ILE A 86 13.370 0.905 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 86 11.028 0.837 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 86 13.966 0.693 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.364 3.040 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.798 2.754 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.227 0.704 -8.578 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.640 -0.726 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.537 0.632 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.882 4.286 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.397 2.772 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.955 3.062 -6.386 1.00 0.00 H new ATOM 648 N CYS A 87 11.081 -1.725 -5.620 1.00 0.00 N ATOM 649 CA CYS A 87 11.048 -3.212 -5.628 1.00 0.00 C ATOM 650 C CYS A 87 12.121 -3.881 -6.558 1.00 0.00 C ATOM 651 O CYS A 87 12.217 -3.520 -7.735 1.00 0.00 O ATOM 652 CB CYS A 87 9.623 -3.564 -6.084 1.00 0.00 C ATOM 653 SG CYS A 87 8.407 -3.273 -4.789 1.00 0.00 S ATOM 0 H CYS A 87 10.270 -1.298 -6.067 1.00 0.00 H new ATOM 0 HA CYS A 87 11.296 -3.598 -4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.367 -2.971 -6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.587 -4.611 -6.386 1.00 0.00 H new ATOM 654 N HIS A 88 12.929 -4.841 -6.059 1.00 0.00 N ATOM 655 CA HIS A 88 13.911 -5.586 -6.891 1.00 0.00 C ATOM 656 C HIS A 88 13.996 -7.095 -6.484 1.00 0.00 C ATOM 657 O HIS A 88 13.666 -7.517 -5.371 1.00 0.00 O ATOM 658 CB HIS A 88 15.296 -4.900 -6.799 1.00 0.00 C ATOM 659 CG HIS A 88 15.465 -3.634 -7.645 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.795 -3.691 -8.993 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.198 -2.308 -7.260 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.704 -2.357 -9.302 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.395 -1.451 -8.328 1.00 0.00 N ATOM 0 H HIS A 88 12.923 -5.123 -5.079 1.00 0.00 H new ATOM 0 HA HIS A 88 13.571 -5.562 -7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.488 -4.647 -5.756 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.058 -5.619 -7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.884 -2.003 -6.273 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.877 -2.024 -10.315 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.329 -0.434 -8.375 1.00 0.00 H new ATOM 664 N ASN A 89 14.493 -7.915 -7.418 1.00 0.00 N ATOM 665 CA ASN A 89 14.688 -9.370 -7.207 1.00 0.00 C ATOM 666 C ASN A 89 16.165 -9.696 -6.816 1.00 0.00 C ATOM 667 O ASN A 89 17.127 -9.361 -7.511 1.00 0.00 O ATOM 668 CB ASN A 89 14.295 -10.062 -8.528 1.00 0.00 C ATOM 669 CG ASN A 89 14.249 -11.590 -8.478 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.273 -12.205 -8.071 1.00 0.00 O ATOM 671 ND2 ASN A 89 15.321 -12.246 -8.843 1.00 0.00 N ATOM 0 H ASN A 89 14.774 -7.596 -8.345 1.00 0.00 H new ATOM 0 HA ASN A 89 14.072 -9.727 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.315 -9.695 -8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.003 -9.761 -9.301 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.339 -13.264 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.138 -11.739 -9.183 1.00 0.00 H new ATOM 672 N VAL A 90 16.295 -10.433 -5.718 1.00 0.00 N ATOM 673 CA VAL A 90 17.606 -10.912 -5.187 1.00 0.00 C ATOM 674 C VAL A 90 17.407 -12.316 -4.521 1.00 0.00 C ATOM 675 O VAL A 90 17.379 -12.483 -3.299 1.00 0.00 O ATOM 676 CB VAL A 90 18.232 -9.785 -4.300 1.00 0.00 C ATOM 677 CG1 VAL A 90 17.441 -9.362 -3.039 1.00 0.00 C ATOM 678 CG2 VAL A 90 19.693 -10.077 -3.910 1.00 0.00 C ATOM 0 H VAL A 90 15.498 -10.727 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 90 18.347 -11.089 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 90 18.182 -8.930 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.984 -8.575 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 90 16.459 -8.991 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 90 17.322 -10.221 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.075 -9.262 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.740 -11.009 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.299 -10.167 -4.811 1.00 0.00 H new