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= -0.0012 X(o=-0.47,f=-0.51) USER MOD Set 1.2: A 37 SER OG : rot 140:sc= -0.464 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 ASN : amide:sc= -0.2 K(o=-0.2,f=-3.3!) USER MOD Single : A 20 SER OG : rot 174:sc= 1.13 USER MOD Single : A 22 GLN : amide:sc= 0.454 K(o=0.45,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ -110:sc= 0.421 (180deg=0) USER MOD Single : A 25 SER OG : rot 25:sc= 0.495 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -3:sc= 1.27 USER MOD Single : A 35 SER OG : rot 50:sc= 0.446 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 -132:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -26:sc= 0.808 USER MOD Single : A 59 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (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) USER MOD Single : A 89 ASN : amide:sc= -0.389 X(o=-0.39,f=0.097) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -8.956 -8.848 7.211 1.00 0.00 N ATOM 70 CA ASN A 10 -8.922 -9.674 5.957 1.00 0.00 C ATOM 71 C ASN A 10 -10.077 -9.241 4.989 1.00 0.00 C ATOM 72 O ASN A 10 -11.222 -9.685 5.109 1.00 0.00 O ATOM 73 CB ASN A 10 -8.885 -11.229 6.097 1.00 0.00 C ATOM 74 CG ASN A 10 -7.588 -11.789 6.670 1.00 0.00 C ATOM 75 OD1 ASN A 10 -6.606 -11.989 5.968 1.00 0.00 O ATOM 76 ND2 ASN A 10 -7.535 -12.056 7.946 1.00 0.00 N ATOM 0 HA ASN A 10 -7.938 -9.447 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.712 -11.542 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.053 -11.672 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.678 -12.430 8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.351 -11.891 8.536 1.00 0.00 H new ATOM 77 N LEU A 11 -9.759 -8.381 4.003 1.00 0.00 N ATOM 78 CA LEU A 11 -10.702 -7.977 2.925 1.00 0.00 C ATOM 79 C LEU A 11 -9.966 -7.885 1.538 1.00 0.00 C ATOM 80 O LEU A 11 -8.741 -7.759 1.438 1.00 0.00 O ATOM 81 CB LEU A 11 -11.532 -6.737 3.379 1.00 0.00 C ATOM 82 CG LEU A 11 -10.958 -5.313 3.134 1.00 0.00 C ATOM 83 CD1 LEU A 11 -11.732 -4.570 2.042 1.00 0.00 C ATOM 84 CD2 LEU A 11 -10.967 -4.459 4.411 1.00 0.00 C ATOM 0 H LEU A 11 -8.842 -7.942 3.925 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.454 -8.746 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.501 -6.791 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.715 -6.838 4.449 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.927 -5.460 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.301 -3.579 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.671 -5.129 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.776 -4.472 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.557 -3.473 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.990 -4.355 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.360 -4.942 5.176 1.00 0.00 H new ATOM 85 N ASP A 12 -10.732 -7.980 0.447 1.00 0.00 N ATOM 86 CA ASP A 12 -10.174 -8.053 -0.933 1.00 0.00 C ATOM 87 C ASP A 12 -9.732 -6.682 -1.548 1.00 0.00 C ATOM 88 O ASP A 12 -10.132 -5.598 -1.113 1.00 0.00 O ATOM 89 CB ASP A 12 -11.251 -8.753 -1.809 1.00 0.00 C ATOM 90 CG ASP A 12 -11.538 -10.215 -1.468 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.464 -11.017 -1.694 1.00 0.00 O ATOM 92 OD2 ASP A 12 -12.605 -10.614 -1.019 1.00 0.00 O ATOM 0 H ASP A 12 -11.751 -8.009 0.480 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.241 -8.616 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.181 -8.191 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.937 -8.698 -2.851 1.00 0.00 H new ATOM 93 N GLU A 13 -8.902 -6.760 -2.604 1.00 0.00 N ATOM 94 CA GLU A 13 -8.406 -5.558 -3.330 1.00 0.00 C ATOM 95 C GLU A 13 -9.524 -5.020 -4.290 1.00 0.00 C ATOM 96 O GLU A 13 -10.104 -5.746 -5.102 1.00 0.00 O ATOM 97 CB GLU A 13 -7.059 -5.862 -4.040 1.00 0.00 C ATOM 98 CG GLU A 13 -5.821 -6.064 -3.119 1.00 0.00 C ATOM 99 CD GLU A 13 -5.764 -7.298 -2.218 1.00 0.00 C ATOM 100 OE1 GLU A 13 -5.546 -8.441 -2.922 1.00 0.00 O ATOM 101 OE2 GLU A 13 -5.883 -7.268 -0.997 1.00 0.00 O ATOM 0 H GLU A 13 -8.555 -7.642 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.190 -4.757 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.186 -6.761 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.843 -5.044 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.936 -6.079 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.739 -5.185 -2.480 1.00 0.00 H new ATOM 102 N GLY A 14 -9.822 -3.729 -4.135 1.00 0.00 N ATOM 103 CA GLY A 14 -10.950 -3.035 -4.824 1.00 0.00 C ATOM 104 C GLY A 14 -12.092 -2.507 -3.904 1.00 0.00 C ATOM 105 O GLY A 14 -13.180 -2.225 -4.404 1.00 0.00 O ATOM 0 H GLY A 14 -9.288 -3.113 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.544 -2.193 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.384 -3.722 -5.550 1.00 0.00 H new ATOM 106 N GLU A 15 -11.853 -2.340 -2.591 1.00 0.00 N ATOM 107 CA GLU A 15 -12.867 -1.877 -1.601 1.00 0.00 C ATOM 108 C GLU A 15 -12.269 -0.786 -0.645 1.00 0.00 C ATOM 109 O GLU A 15 -11.071 -0.777 -0.334 1.00 0.00 O ATOM 110 CB GLU A 15 -13.338 -3.115 -0.786 1.00 0.00 C ATOM 111 CG GLU A 15 -14.166 -4.192 -1.537 1.00 0.00 C ATOM 112 CD GLU A 15 -15.572 -3.798 -1.990 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.097 -2.707 -1.791 1.00 0.00 O ATOM 114 OE2 GLU A 15 -16.193 -4.817 -2.641 1.00 0.00 O ATOM 0 H GLU A 15 -10.941 -2.523 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.709 -1.421 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.455 -3.599 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.933 -2.758 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.601 -4.501 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.251 -5.065 -0.890 1.00 0.00 H new ATOM 115 N LEU A 16 -13.122 0.132 -0.161 1.00 0.00 N ATOM 116 CA LEU A 16 -12.697 1.254 0.732 1.00 0.00 C ATOM 117 C LEU A 16 -12.355 0.810 2.204 1.00 0.00 C ATOM 118 O LEU A 16 -12.949 -0.120 2.760 1.00 0.00 O ATOM 119 CB LEU A 16 -13.811 2.349 0.703 1.00 0.00 C ATOM 120 CG LEU A 16 -13.686 3.437 -0.399 1.00 0.00 C ATOM 121 CD1 LEU A 16 -13.914 2.903 -1.824 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.691 4.572 -0.135 1.00 0.00 C ATOM 0 H LEU A 16 -14.121 0.129 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.758 1.653 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.774 1.853 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.826 2.846 1.673 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.659 3.798 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.811 3.719 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.177 2.131 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.916 2.480 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.596 5.330 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.704 4.170 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.486 5.021 0.837 1.00 0.00 H new ATOM 123 N CYS A 17 -11.387 1.505 2.827 1.00 0.00 N ATOM 124 CA CYS A 17 -10.861 1.155 4.178 1.00 0.00 C ATOM 125 C CYS A 17 -10.679 2.388 5.140 1.00 0.00 C ATOM 126 O CYS A 17 -10.996 3.538 4.820 1.00 0.00 O ATOM 127 CB CYS A 17 -9.472 0.512 3.885 1.00 0.00 C ATOM 128 SG CYS A 17 -8.262 1.846 3.672 1.00 0.00 S ATOM 0 H CYS A 17 -10.941 2.326 2.417 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.565 0.504 4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.176 -0.142 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.520 -0.104 2.987 1.00 0.00 H new ATOM 129 N LEU A 18 -10.110 2.117 6.328 1.00 0.00 N ATOM 130 CA LEU A 18 -9.668 3.163 7.289 1.00 0.00 C ATOM 131 C LEU A 18 -8.094 3.117 7.259 1.00 0.00 C ATOM 132 O LEU A 18 -7.483 4.032 6.711 1.00 0.00 O ATOM 133 CB LEU A 18 -10.334 2.966 8.684 1.00 0.00 C ATOM 134 CG LEU A 18 -11.871 3.166 8.763 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.389 2.743 10.147 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.295 4.620 8.493 1.00 0.00 C ATOM 0 H LEU A 18 -9.940 1.166 6.657 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.990 4.169 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.105 1.958 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.866 3.658 9.384 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.308 2.541 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.468 2.888 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.156 1.692 10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.910 3.349 10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.380 4.701 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.835 5.276 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.971 4.914 7.495 1.00 0.00 H new ATOM 137 N ASN A 19 -7.428 2.138 7.905 1.00 0.00 N ATOM 138 CA ASN A 19 -5.946 1.915 7.810 1.00 0.00 C ATOM 139 C ASN A 19 -5.502 0.825 6.750 1.00 0.00 C ATOM 140 O ASN A 19 -6.329 0.208 6.073 1.00 0.00 O ATOM 141 CB ASN A 19 -5.453 1.676 9.271 1.00 0.00 C ATOM 142 CG ASN A 19 -5.930 0.406 9.977 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.549 -0.700 9.625 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.763 0.506 10.978 1.00 0.00 N ATOM 0 H ASN A 19 -7.895 1.468 8.515 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.452 2.792 7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.363 1.666 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.759 2.531 9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.088 -0.334 11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.088 1.424 11.281 1.00 0.00 H new ATOM 145 N SER A 20 -4.182 0.549 6.634 1.00 0.00 N ATOM 146 CA SER A 20 -3.644 -0.546 5.756 1.00 0.00 C ATOM 147 C SER A 20 -3.584 -1.985 6.359 1.00 0.00 C ATOM 148 O SER A 20 -3.479 -2.947 5.593 1.00 0.00 O ATOM 149 CB SER A 20 -2.227 -0.174 5.278 1.00 0.00 C ATOM 150 OG SER A 20 -1.812 -1.043 4.230 1.00 0.00 O ATOM 0 H SER A 20 -3.458 1.065 7.135 1.00 0.00 H new ATOM 0 HA SER A 20 -4.376 -0.605 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.214 0.859 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.527 -0.238 6.111 1.00 0.00 H new ATOM 0 HG SER A 20 -0.954 -0.735 3.871 1.00 0.00 H new ATOM 151 N ALA A 21 -3.660 -2.148 7.684 1.00 0.00 N ATOM 152 CA ALA A 21 -3.723 -3.491 8.329 1.00 0.00 C ATOM 153 C ALA A 21 -5.104 -4.249 8.258 1.00 0.00 C ATOM 154 O ALA A 21 -5.266 -5.310 8.856 1.00 0.00 O ATOM 155 CB ALA A 21 -3.307 -3.187 9.778 1.00 0.00 C ATOM 0 H ALA A 21 -3.680 -1.371 8.345 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.081 -4.195 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.315 -4.109 10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.304 -2.761 9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.007 -2.475 10.216 1.00 0.00 H new ATOM 156 N GLN A 22 -6.061 -3.746 7.467 1.00 0.00 N ATOM 157 CA GLN A 22 -7.421 -4.327 7.309 1.00 0.00 C ATOM 158 C GLN A 22 -7.607 -5.256 6.061 1.00 0.00 C ATOM 159 O GLN A 22 -8.412 -6.184 6.146 1.00 0.00 O ATOM 160 CB GLN A 22 -8.411 -3.130 7.279 1.00 0.00 C ATOM 161 CG GLN A 22 -8.651 -2.449 8.653 1.00 0.00 C ATOM 162 CD GLN A 22 -9.589 -1.248 8.581 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.261 -0.204 8.035 1.00 0.00 O ATOM 164 NE2 GLN A 22 -10.778 -1.339 9.117 1.00 0.00 N ATOM 0 H GLN A 22 -5.919 -2.908 6.904 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.608 -4.998 8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.035 -2.383 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.368 -3.478 6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.065 -3.182 9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.693 -2.128 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.066 -2.203 9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.418 -0.546 9.076 1.00 0.00 H new ATOM 165 N CYS A 23 -6.915 -5.044 4.921 1.00 0.00 N ATOM 166 CA CYS A 23 -6.980 -5.965 3.758 1.00 0.00 C ATOM 167 C CYS A 23 -6.305 -7.370 4.025 1.00 0.00 C ATOM 168 O CYS A 23 -5.619 -7.571 5.031 1.00 0.00 O ATOM 169 CB CYS A 23 -6.275 -5.252 2.576 1.00 0.00 C ATOM 170 SG CYS A 23 -6.456 -3.443 2.474 1.00 0.00 S ATOM 0 H CYS A 23 -6.302 -4.241 4.778 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.027 -6.182 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.211 -5.483 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.651 -5.683 1.648 1.00 0.00 H new ATOM 171 N LYS A 24 -6.473 -8.350 3.117 1.00 0.00 N ATOM 172 CA LYS A 24 -5.759 -9.671 3.182 1.00 0.00 C ATOM 173 C LYS A 24 -4.228 -9.426 2.973 1.00 0.00 C ATOM 174 O LYS A 24 -3.419 -9.634 3.880 1.00 0.00 O ATOM 175 CB LYS A 24 -6.389 -10.617 2.123 1.00 0.00 C ATOM 176 CG LYS A 24 -7.802 -11.163 2.422 1.00 0.00 C ATOM 177 CD LYS A 24 -8.555 -11.659 1.174 1.00 0.00 C ATOM 178 CE LYS A 24 -8.013 -12.983 0.608 1.00 0.00 C ATOM 179 NZ LYS A 24 -8.705 -13.317 -0.653 1.00 0.00 N ATOM 0 H LYS A 24 -7.100 -8.265 2.317 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.870 -10.153 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.426 -10.085 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.720 -11.466 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.721 -11.983 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.390 -10.380 2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.609 -11.785 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.500 -10.894 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.940 -12.900 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.156 -13.784 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.324 -14.139 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.277 -12.505 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.002 -13.542 -1.386 1.00 0.00 H new ATOM 180 N SER A 25 -3.837 -8.959 1.772 1.00 0.00 N ATOM 181 CA SER A 25 -2.463 -8.462 1.528 1.00 0.00 C ATOM 182 C SER A 25 -2.533 -6.981 2.033 1.00 0.00 C ATOM 183 O SER A 25 -3.146 -6.141 1.366 1.00 0.00 O ATOM 184 CB SER A 25 -2.065 -8.618 0.044 1.00 0.00 C ATOM 185 OG SER A 25 -2.909 -7.886 -0.848 1.00 0.00 O ATOM 0 H SER A 25 -4.448 -8.914 0.956 1.00 0.00 H new ATOM 0 HA SER A 25 -1.682 -9.018 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.035 -8.285 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.094 -9.674 -0.224 1.00 0.00 H new ATOM 0 HG SER A 25 -3.312 -7.131 -0.371 1.00 0.00 H new ATOM 186 N ASN A 26 -1.909 -6.692 3.184 1.00 0.00 N ATOM 187 CA ASN A 26 -2.020 -5.375 3.895 1.00 0.00 C ATOM 188 C ASN A 26 -1.404 -4.148 3.145 1.00 0.00 C ATOM 189 O ASN A 26 -0.338 -3.604 3.444 1.00 0.00 O ATOM 190 CB ASN A 26 -1.349 -5.562 5.293 1.00 0.00 C ATOM 191 CG ASN A 26 -1.816 -6.658 6.260 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.010 -7.395 6.808 1.00 0.00 O ATOM 193 ND2 ASN A 26 -3.083 -6.811 6.540 1.00 0.00 N ATOM 0 H ASN A 26 -1.305 -7.359 3.665 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.078 -5.124 3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.286 -5.726 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.442 -4.612 5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.376 -7.531 7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.779 -6.211 6.098 1.00 0.00 H new ATOM 194 N CYS A 27 -2.212 -3.688 2.187 1.00 0.00 N ATOM 195 CA CYS A 27 -1.955 -2.476 1.400 1.00 0.00 C ATOM 196 C CYS A 27 -3.271 -1.709 1.104 1.00 0.00 C ATOM 197 O CYS A 27 -3.937 -1.941 0.087 1.00 0.00 O ATOM 198 CB CYS A 27 -1.227 -2.745 0.070 1.00 0.00 C ATOM 199 SG CYS A 27 -0.822 -1.089 -0.552 1.00 0.00 S ATOM 0 H CYS A 27 -3.081 -4.156 1.930 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.296 -1.870 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.330 -3.345 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.861 -3.290 -0.629 1.00 0.00 H new ATOM 200 N CYS A 28 -3.655 -0.784 1.998 1.00 0.00 N ATOM 201 CA CYS A 28 -4.755 0.158 1.695 1.00 0.00 C ATOM 202 C CYS A 28 -4.020 1.318 0.965 1.00 0.00 C ATOM 203 O CYS A 28 -3.127 1.976 1.514 1.00 0.00 O ATOM 204 CB CYS A 28 -5.558 0.601 2.905 1.00 0.00 C ATOM 205 SG CYS A 28 -6.986 1.447 2.221 1.00 0.00 S ATOM 0 H CYS A 28 -3.233 -0.665 2.919 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.537 -0.299 1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.858 -0.251 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.975 1.263 3.546 1.00 0.00 H new ATOM 206 N GLN A 29 -4.345 1.489 -0.311 1.00 0.00 N ATOM 207 CA GLN A 29 -3.624 2.412 -1.204 1.00 0.00 C ATOM 208 C GLN A 29 -4.335 3.796 -1.326 1.00 0.00 C ATOM 209 O GLN A 29 -5.521 3.928 -1.646 1.00 0.00 O ATOM 210 CB GLN A 29 -3.474 1.577 -2.502 1.00 0.00 C ATOM 211 CG GLN A 29 -2.353 2.025 -3.480 1.00 0.00 C ATOM 212 CD GLN A 29 -2.873 2.781 -4.688 1.00 0.00 C ATOM 213 OE1 GLN A 29 -3.197 2.220 -5.727 1.00 0.00 O ATOM 214 NE2 GLN A 29 -3.041 4.061 -4.567 1.00 0.00 N ATOM 0 H GLN A 29 -5.114 0.996 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.645 2.733 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.291 0.540 -2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.424 1.600 -3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.644 2.656 -2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.805 1.146 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.772 4.531 -3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.442 4.598 -5.336 1.00 0.00 H new ATOM 215 N HIS A 30 -3.565 4.833 -1.001 1.00 0.00 N ATOM 216 CA HIS A 30 -4.030 6.229 -0.923 1.00 0.00 C ATOM 217 C HIS A 30 -4.058 6.962 -2.298 1.00 0.00 C ATOM 218 O HIS A 30 -3.136 6.866 -3.112 1.00 0.00 O ATOM 219 CB HIS A 30 -3.029 6.921 0.050 1.00 0.00 C ATOM 220 CG HIS A 30 -3.442 8.251 0.667 1.00 0.00 C ATOM 221 ND1 HIS A 30 -4.709 8.541 1.154 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.517 9.215 1.088 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.422 9.702 1.825 1.00 0.00 C ATOM 224 NE2 HIS A 30 -3.145 10.196 1.831 1.00 0.00 N ATOM 0 H HIS A 30 -2.575 4.730 -0.778 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.064 6.265 -0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.818 6.226 0.863 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.094 7.077 -0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.461 9.194 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.205 10.228 2.350 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.768 11.041 2.259 1.00 0.00 H new ATOM 225 N ASP A 31 -5.084 7.785 -2.485 1.00 0.00 N ATOM 226 CA ASP A 31 -5.234 8.700 -3.657 1.00 0.00 C ATOM 227 C ASP A 31 -4.224 9.918 -3.768 1.00 0.00 C ATOM 228 O ASP A 31 -4.470 10.861 -4.523 1.00 0.00 O ATOM 229 CB ASP A 31 -6.715 9.177 -3.604 1.00 0.00 C ATOM 230 CG ASP A 31 -7.100 10.103 -2.443 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.811 9.879 -1.269 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.807 11.186 -2.852 1.00 0.00 O ATOM 0 H ASP A 31 -5.859 7.851 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.976 8.144 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.940 9.691 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.355 8.296 -3.563 1.00 0.00 H new ATOM 233 N THR A 32 -3.089 9.890 -3.043 1.00 0.00 N ATOM 234 CA THR A 32 -2.047 10.967 -2.991 1.00 0.00 C ATOM 235 C THR A 32 -2.576 12.298 -2.343 1.00 0.00 C ATOM 236 O THR A 32 -2.649 13.345 -2.987 1.00 0.00 O ATOM 237 CB THR A 32 -1.285 11.155 -4.350 1.00 0.00 C ATOM 238 OG1 THR A 32 -2.134 11.671 -5.369 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.670 9.859 -4.908 1.00 0.00 C ATOM 0 H THR A 32 -2.852 9.094 -2.452 1.00 0.00 H new ATOM 0 HA THR A 32 -1.278 10.617 -2.303 1.00 0.00 H new ATOM 0 HB THR A 32 -0.487 11.855 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.048 11.752 -5.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.161 10.073 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.046 9.458 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.459 9.127 -5.081 1.00 0.00 H new ATOM 240 N ILE A 33 -2.899 12.236 -1.029 1.00 0.00 N ATOM 241 CA ILE A 33 -3.443 13.384 -0.211 1.00 0.00 C ATOM 242 C ILE A 33 -4.990 13.582 -0.503 1.00 0.00 C ATOM 243 O ILE A 33 -5.512 13.212 -1.557 1.00 0.00 O ATOM 244 CB ILE A 33 -2.495 14.653 -0.239 1.00 0.00 C ATOM 245 CG1 ILE A 33 -1.053 14.317 0.273 1.00 0.00 C ATOM 246 CG2 ILE A 33 -3.009 15.839 0.615 1.00 0.00 C ATOM 247 CD1 ILE A 33 0.069 15.137 -0.382 1.00 0.00 C ATOM 0 H ILE A 33 -2.793 11.380 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.419 13.146 0.853 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.484 14.946 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.019 14.476 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.859 13.258 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.306 16.669 0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.984 16.157 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.099 15.526 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.030 14.836 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.068 14.961 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.094 16.197 -0.188 1.00 0.00 H new ATOM 248 N LEU A 34 -5.753 14.108 0.489 1.00 0.00 N ATOM 249 CA LEU A 34 -7.259 14.218 0.454 1.00 0.00 C ATOM 250 C LEU A 34 -7.870 12.764 0.478 1.00 0.00 C ATOM 251 O LEU A 34 -8.345 12.240 -0.530 1.00 0.00 O ATOM 252 CB LEU A 34 -7.754 15.148 -0.698 1.00 0.00 C ATOM 253 CG LEU A 34 -9.268 15.487 -0.720 1.00 0.00 C ATOM 254 CD1 LEU A 34 -9.720 16.321 0.492 1.00 0.00 C ATOM 255 CD2 LEU A 34 -9.612 16.255 -2.006 1.00 0.00 C ATOM 0 H LEU A 34 -5.349 14.475 1.350 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.631 14.725 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.197 16.083 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.497 14.679 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.798 14.535 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.788 16.524 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.520 15.767 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.172 17.263 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.676 16.490 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.036 17.179 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.368 15.641 -2.873 1.00 0.00 H new ATOM 256 N SER A 35 -7.841 12.137 1.664 1.00 0.00 N ATOM 257 CA SER A 35 -8.177 10.705 1.880 1.00 0.00 C ATOM 258 C SER A 35 -9.470 10.020 1.300 1.00 0.00 C ATOM 259 O SER A 35 -10.571 10.073 1.857 1.00 0.00 O ATOM 260 CB SER A 35 -8.126 10.506 3.420 1.00 0.00 C ATOM 261 OG SER A 35 -9.221 11.150 4.079 1.00 0.00 O ATOM 0 H SER A 35 -7.578 12.616 2.526 1.00 0.00 H new ATOM 0 HA SER A 35 -7.446 10.186 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.141 9.440 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.187 10.902 3.806 1.00 0.00 H new ATOM 0 HG SER A 35 -10.061 10.894 3.644 1.00 0.00 H new ATOM 262 N LEU A 36 -9.244 9.302 0.199 1.00 0.00 N ATOM 263 CA LEU A 36 -10.215 8.388 -0.455 1.00 0.00 C ATOM 264 C LEU A 36 -9.338 7.104 -0.683 1.00 0.00 C ATOM 265 O LEU A 36 -8.738 6.905 -1.745 1.00 0.00 O ATOM 266 CB LEU A 36 -10.802 9.049 -1.731 1.00 0.00 C ATOM 267 CG LEU A 36 -11.881 8.218 -2.474 1.00 0.00 C ATOM 268 CD1 LEU A 36 -13.215 8.167 -1.709 1.00 0.00 C ATOM 269 CD2 LEU A 36 -12.132 8.803 -3.873 1.00 0.00 C ATOM 0 H LEU A 36 -8.349 9.334 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.114 8.146 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.234 10.011 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.985 9.253 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.496 7.201 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.935 7.573 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.056 7.713 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.600 9.179 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.891 8.211 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.477 9.833 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.206 8.781 -4.448 1.00 0.00 H new ATOM 270 N SER A 37 -9.211 6.264 0.360 1.00 0.00 N ATOM 271 CA SER A 37 -8.277 5.107 0.367 1.00 0.00 C ATOM 272 C SER A 37 -8.959 3.738 0.060 1.00 0.00 C ATOM 273 O SER A 37 -9.973 3.367 0.658 1.00 0.00 O ATOM 274 CB SER A 37 -7.593 5.096 1.755 1.00 0.00 C ATOM 275 OG SER A 37 -7.025 6.362 2.123 1.00 0.00 O ATOM 0 H SER A 37 -9.748 6.361 1.222 1.00 0.00 H new ATOM 0 HA SER A 37 -7.554 5.231 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.323 4.801 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.808 4.340 1.759 1.00 0.00 H new ATOM 0 HG SER A 37 -7.191 6.531 3.074 1.00 0.00 H new ATOM 276 N ARG A 38 -8.351 2.977 -0.858 1.00 0.00 N ATOM 277 CA ARG A 38 -8.906 1.694 -1.377 1.00 0.00 C ATOM 278 C ARG A 38 -7.798 0.591 -1.445 1.00 0.00 C ATOM 279 O ARG A 38 -6.683 0.861 -1.899 1.00 0.00 O ATOM 280 CB ARG A 38 -9.496 2.062 -2.770 1.00 0.00 C ATOM 281 CG ARG A 38 -10.389 1.001 -3.446 1.00 0.00 C ATOM 282 CD ARG A 38 -10.965 1.529 -4.771 1.00 0.00 C ATOM 283 NE ARG A 38 -11.983 0.588 -5.295 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.659 0.746 -6.425 1.00 0.00 C ATOM 285 NH1 ARG A 38 -12.481 1.738 -7.258 1.00 0.00 N ATOM 286 NH2 ARG A 38 -13.556 -0.143 -6.716 1.00 0.00 N ATOM 0 H ARG A 38 -7.453 3.225 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.673 1.265 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.077 2.978 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.668 2.288 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.809 0.097 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.203 0.725 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.412 2.511 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.165 1.654 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.179 -0.247 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.784 2.455 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.039 1.795 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.720 -0.927 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.098 -0.058 -7.576 1.00 0.00 H new ATOM 287 N CYS A 39 -8.065 -0.662 -1.018 1.00 0.00 N ATOM 288 CA CYS A 39 -7.075 -1.771 -1.140 1.00 0.00 C ATOM 289 C CYS A 39 -6.720 -2.112 -2.624 1.00 0.00 C ATOM 290 O CYS A 39 -7.572 -2.183 -3.511 1.00 0.00 O ATOM 291 CB CYS A 39 -7.571 -3.044 -0.425 1.00 0.00 C ATOM 292 SG CYS A 39 -7.999 -2.876 1.323 1.00 0.00 S ATOM 0 H CYS A 39 -8.948 -0.937 -0.588 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.167 -1.411 -0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.448 -3.413 -0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.799 -3.808 -0.515 1.00 0.00 H new ATOM 293 N ALA A 40 -5.426 -2.312 -2.862 1.00 0.00 N ATOM 294 CA ALA A 40 -4.860 -2.505 -4.218 1.00 0.00 C ATOM 295 C ALA A 40 -3.708 -3.560 -4.311 1.00 0.00 C ATOM 296 O ALA A 40 -3.292 -4.182 -3.327 1.00 0.00 O ATOM 297 CB ALA A 40 -4.411 -1.079 -4.578 1.00 0.00 C ATOM 0 H ALA A 40 -4.726 -2.347 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.582 -2.934 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.967 -1.078 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.273 -0.412 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.675 -0.735 -3.852 1.00 0.00 H new ATOM 298 N LEU A 41 -3.186 -3.752 -5.531 1.00 0.00 N ATOM 299 CA LEU A 41 -2.086 -4.715 -5.809 1.00 0.00 C ATOM 300 C LEU A 41 -0.668 -4.211 -5.359 1.00 0.00 C ATOM 301 O LEU A 41 -0.440 -3.026 -5.092 1.00 0.00 O ATOM 302 CB LEU A 41 -2.164 -5.070 -7.333 1.00 0.00 C ATOM 303 CG LEU A 41 -1.517 -4.126 -8.391 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.580 -4.767 -9.787 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.155 -2.729 -8.458 1.00 0.00 C ATOM 0 H LEU A 41 -3.507 -3.250 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.224 -5.612 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.713 -6.054 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.219 -5.167 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.485 -3.991 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.125 -4.097 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.040 -5.714 -9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.620 -4.946 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.648 -2.134 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.210 -2.823 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.059 -2.238 -7.489 1.00 0.00 H new ATOM 306 N LYS A 42 0.291 -5.143 -5.285 1.00 0.00 N ATOM 307 CA LYS A 42 1.694 -4.828 -4.895 1.00 0.00 C ATOM 308 C LYS A 42 2.530 -4.067 -5.980 1.00 0.00 C ATOM 309 O LYS A 42 2.181 -4.047 -7.166 1.00 0.00 O ATOM 310 CB LYS A 42 2.326 -6.168 -4.424 1.00 0.00 C ATOM 311 CG LYS A 42 2.732 -7.286 -5.416 1.00 0.00 C ATOM 312 CD LYS A 42 3.912 -6.991 -6.364 1.00 0.00 C ATOM 313 CE LYS A 42 4.657 -8.230 -6.883 1.00 0.00 C ATOM 314 NZ LYS A 42 3.827 -9.004 -7.828 1.00 0.00 N ATOM 0 H LYS A 42 0.131 -6.130 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 42 1.696 -4.098 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.222 -5.910 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.624 -6.614 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.977 -8.178 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.862 -7.530 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.539 -6.426 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.624 -6.350 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.579 -7.922 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.941 -8.864 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.360 -9.833 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.959 -9.319 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.577 -8.406 -8.641 1.00 0.00 H new ATOM 315 N ALA A 43 3.659 -3.456 -5.578 1.00 0.00 N ATOM 316 CA ALA A 43 4.549 -2.747 -6.528 1.00 0.00 C ATOM 317 C ALA A 43 5.510 -3.701 -7.310 1.00 0.00 C ATOM 318 O ALA A 43 6.075 -4.676 -6.802 1.00 0.00 O ATOM 319 CB ALA A 43 5.325 -1.691 -5.736 1.00 0.00 C ATOM 0 H ALA A 43 3.979 -3.436 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 43 3.938 -2.279 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.991 -1.149 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.625 -0.992 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.912 -2.179 -4.958 1.00 0.00 H new ATOM 320 N ARG A 44 5.710 -3.341 -8.572 1.00 0.00 N ATOM 321 CA ARG A 44 6.490 -4.142 -9.551 1.00 0.00 C ATOM 322 C ARG A 44 7.960 -3.654 -9.669 1.00 0.00 C ATOM 323 O ARG A 44 8.326 -2.554 -9.252 1.00 0.00 O ATOM 324 CB ARG A 44 5.728 -4.065 -10.908 1.00 0.00 C ATOM 325 CG ARG A 44 4.570 -5.091 -11.044 1.00 0.00 C ATOM 326 CD ARG A 44 3.226 -4.482 -11.484 1.00 0.00 C ATOM 327 NE ARG A 44 2.598 -3.742 -10.354 1.00 0.00 N ATOM 328 CZ ARG A 44 2.029 -2.546 -10.423 1.00 0.00 C ATOM 329 NH1 ARG A 44 1.904 -1.844 -11.518 1.00 0.00 N ATOM 330 NH2 ARG A 44 1.565 -2.042 -9.323 1.00 0.00 N ATOM 0 H ARG A 44 5.337 -2.477 -8.965 1.00 0.00 H new ATOM 0 HA ARG A 44 6.568 -5.178 -9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.325 -3.060 -11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.437 -4.224 -11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.861 -5.855 -11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.431 -5.592 -10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.383 -3.808 -12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.557 -5.271 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 44 2.606 -4.198 -9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.258 -2.210 -12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.453 -0.930 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.645 -2.563 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.119 -1.124 -9.331 1.00 0.00 H new ATOM 331 N GLU A 45 8.805 -4.508 -10.264 1.00 0.00 N ATOM 332 CA GLU A 45 10.274 -4.277 -10.363 1.00 0.00 C ATOM 333 C GLU A 45 10.658 -2.895 -11.004 1.00 0.00 C ATOM 334 O GLU A 45 10.251 -2.564 -12.120 1.00 0.00 O ATOM 335 CB GLU A 45 10.917 -5.493 -11.085 1.00 0.00 C ATOM 336 CG GLU A 45 12.472 -5.503 -11.042 1.00 0.00 C ATOM 337 CD GLU A 45 13.111 -6.876 -11.222 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.104 -7.735 -10.351 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.701 -7.039 -12.435 1.00 0.00 O ATOM 0 H GLU A 45 8.501 -5.382 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 45 10.683 -4.204 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.545 -6.411 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.592 -5.498 -12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.847 -4.839 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.797 -5.089 -10.087 1.00 0.00 H new ATOM 340 N ASN A 46 11.450 -2.128 -10.240 1.00 0.00 N ATOM 341 CA ASN A 46 11.848 -0.702 -10.526 1.00 0.00 C ATOM 342 C ASN A 46 10.790 0.372 -10.036 1.00 0.00 C ATOM 343 O ASN A 46 10.885 1.537 -10.431 1.00 0.00 O ATOM 344 CB ASN A 46 12.315 -0.439 -11.995 1.00 0.00 C ATOM 345 CG ASN A 46 13.507 -1.265 -12.474 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.655 -1.009 -12.137 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.281 -2.277 -13.269 1.00 0.00 N ATOM 0 H ASN A 46 11.856 -2.476 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 46 12.735 -0.562 -9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.474 -0.629 -12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.567 0.617 -12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.058 -2.846 -13.604 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.327 -2.498 -13.555 1.00 0.00 H new ATOM 348 N SER A 47 9.861 0.041 -9.111 1.00 0.00 N ATOM 349 CA SER A 47 8.901 1.011 -8.515 1.00 0.00 C ATOM 350 C SER A 47 9.056 1.118 -6.960 1.00 0.00 C ATOM 351 O SER A 47 9.434 0.176 -6.259 1.00 0.00 O ATOM 352 CB SER A 47 7.474 0.567 -8.916 1.00 0.00 C ATOM 353 OG SER A 47 6.517 1.565 -8.553 1.00 0.00 O ATOM 0 H SER A 47 9.752 -0.908 -8.753 1.00 0.00 H new ATOM 0 HA SER A 47 9.106 2.011 -8.898 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.431 0.388 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.229 -0.375 -8.426 1.00 0.00 H new ATOM 0 HG SER A 47 5.620 1.269 -8.815 1.00 0.00 H new ATOM 354 N GLU A 48 8.731 2.300 -6.426 1.00 0.00 N ATOM 355 CA GLU A 48 8.756 2.610 -4.980 1.00 0.00 C ATOM 356 C GLU A 48 7.684 1.835 -4.134 1.00 0.00 C ATOM 357 O GLU A 48 6.529 1.654 -4.522 1.00 0.00 O ATOM 358 CB GLU A 48 8.516 4.145 -4.856 1.00 0.00 C ATOM 359 CG GLU A 48 9.771 5.029 -5.072 1.00 0.00 C ATOM 360 CD GLU A 48 9.493 6.525 -4.958 1.00 0.00 C ATOM 361 OE1 GLU A 48 9.066 7.210 -5.881 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.760 7.013 -3.717 1.00 0.00 O ATOM 0 H GLU A 48 8.435 3.092 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 48 9.717 2.293 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.756 4.437 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.110 4.354 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.530 4.752 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.187 4.820 -6.057 1.00 0.00 H new ATOM 363 N CYS A 49 8.125 1.432 -2.946 1.00 0.00 N ATOM 364 CA CYS A 49 7.333 0.623 -1.984 1.00 0.00 C ATOM 365 C CYS A 49 7.322 1.234 -0.541 1.00 0.00 C ATOM 366 O CYS A 49 8.355 1.618 0.026 1.00 0.00 O ATOM 367 CB CYS A 49 7.913 -0.822 -1.980 1.00 0.00 C ATOM 368 SG CYS A 49 8.597 -1.306 -0.367 1.00 0.00 S ATOM 0 H CYS A 49 9.060 1.656 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 49 6.291 0.616 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.128 -1.524 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.694 -0.897 -2.737 1.00 0.00 H new ATOM 369 N SER A 50 6.150 1.191 0.102 1.00 0.00 N ATOM 370 CA SER A 50 5.978 1.607 1.524 1.00 0.00 C ATOM 371 C SER A 50 6.261 0.395 2.474 1.00 0.00 C ATOM 372 O SER A 50 5.356 -0.299 2.939 1.00 0.00 O ATOM 373 CB SER A 50 4.561 2.207 1.661 1.00 0.00 C ATOM 374 OG SER A 50 4.348 2.702 2.983 1.00 0.00 O ATOM 0 H SER A 50 5.287 0.869 -0.336 1.00 0.00 H new ATOM 0 HA SER A 50 6.694 2.373 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.431 3.014 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.815 1.448 1.427 1.00 0.00 H new ATOM 0 HG SER A 50 3.484 2.382 3.317 1.00 0.00 H new ATOM 375 N ALA A 51 7.544 0.196 2.806 1.00 0.00 N ATOM 376 CA ALA A 51 8.018 -0.992 3.577 1.00 0.00 C ATOM 377 C ALA A 51 7.710 -1.089 5.114 1.00 0.00 C ATOM 378 O ALA A 51 7.546 -2.179 5.664 1.00 0.00 O ATOM 379 CB ALA A 51 9.542 -0.918 3.353 1.00 0.00 C ATOM 0 H ALA A 51 8.291 0.844 2.555 1.00 0.00 H new ATOM 0 HA ALA A 51 7.483 -1.872 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.027 -1.745 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.757 -0.984 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.921 0.027 3.742 1.00 0.00 H new ATOM 380 N PHE A 52 7.674 0.054 5.794 1.00 0.00 N ATOM 381 CA PHE A 52 7.293 0.196 7.220 1.00 0.00 C ATOM 382 C PHE A 52 5.747 0.161 7.443 1.00 0.00 C ATOM 383 O PHE A 52 4.985 0.557 6.555 1.00 0.00 O ATOM 384 CB PHE A 52 7.855 1.595 7.664 1.00 0.00 C ATOM 385 CG PHE A 52 7.280 2.843 6.932 1.00 0.00 C ATOM 386 CD1 PHE A 52 7.808 3.208 5.689 1.00 0.00 C ATOM 387 CD2 PHE A 52 6.117 3.473 7.391 1.00 0.00 C ATOM 388 CE1 PHE A 52 7.184 4.176 4.910 1.00 0.00 C ATOM 389 CE2 PHE A 52 5.500 4.452 6.615 1.00 0.00 C ATOM 390 CZ PHE A 52 6.034 4.805 5.378 1.00 0.00 C ATOM 0 H PHE A 52 7.916 0.946 5.363 1.00 0.00 H new ATOM 0 HA PHE A 52 7.697 -0.635 7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.671 1.712 8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.936 1.587 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.709 2.733 5.331 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.698 3.200 8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.590 4.439 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.605 4.939 6.974 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.555 5.567 4.781 1.00 0.00 H new ATOM 391 N THR A 53 5.277 -0.246 8.628 1.00 0.00 N ATOM 392 CA THR A 53 3.825 -0.140 8.971 1.00 0.00 C ATOM 393 C THR A 53 3.627 0.904 10.095 1.00 0.00 C ATOM 394 O THR A 53 4.187 0.833 11.194 1.00 0.00 O ATOM 395 CB THR A 53 3.080 -1.416 9.450 1.00 0.00 C ATOM 396 OG1 THR A 53 3.788 -2.082 10.493 1.00 0.00 O ATOM 397 CG2 THR A 53 2.863 -2.399 8.309 1.00 0.00 C ATOM 0 H THR A 53 5.857 -0.647 9.365 1.00 0.00 H new ATOM 0 HA THR A 53 3.390 0.120 8.006 1.00 0.00 H new ATOM 0 HB THR A 53 2.115 -1.078 9.828 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.289 -2.879 10.770 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.339 -3.279 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.267 -1.925 7.529 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.827 -2.698 7.898 1.00 0.00 H new ATOM 398 N LEU A 54 2.755 1.845 9.769 1.00 0.00 N ATOM 399 CA LEU A 54 2.240 2.849 10.720 1.00 0.00 C ATOM 400 C LEU A 54 0.821 2.346 11.187 1.00 0.00 C ATOM 401 O LEU A 54 0.490 1.155 11.102 1.00 0.00 O ATOM 402 CB LEU A 54 2.315 4.226 9.978 1.00 0.00 C ATOM 403 CG LEU A 54 1.294 4.567 8.848 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.332 6.069 8.542 1.00 0.00 C ATOM 405 CD2 LEU A 54 1.488 3.776 7.545 1.00 0.00 C ATOM 0 H LEU A 54 2.373 1.944 8.828 1.00 0.00 H new ATOM 0 HA LEU A 54 2.805 2.984 11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.231 5.006 10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.313 4.306 9.547 1.00 0.00 H new ATOM 0 HG LEU A 54 0.321 4.269 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.616 6.298 7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.073 6.630 9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.334 6.349 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.734 4.080 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.481 3.976 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.387 2.710 7.748 1.00 0.00 H new ATOM 406 N TYR A 55 -0.033 3.234 11.706 1.00 0.00 N ATOM 407 CA TYR A 55 -1.457 2.864 11.998 1.00 0.00 C ATOM 408 C TYR A 55 -2.328 3.681 11.002 1.00 0.00 C ATOM 409 O TYR A 55 -3.131 4.546 11.358 1.00 0.00 O ATOM 410 CB TYR A 55 -1.739 2.975 13.528 1.00 0.00 C ATOM 411 CG TYR A 55 -1.253 1.689 14.226 1.00 0.00 C ATOM 412 CD1 TYR A 55 -2.042 0.538 14.115 1.00 0.00 C ATOM 413 CD2 TYR A 55 0.091 1.567 14.599 1.00 0.00 C ATOM 414 CE1 TYR A 55 -1.469 -0.718 14.274 1.00 0.00 C ATOM 415 CE2 TYR A 55 0.660 0.306 14.759 1.00 0.00 C ATOM 416 CZ TYR A 55 -0.119 -0.837 14.590 1.00 0.00 C ATOM 417 OH TYR A 55 0.456 -2.078 14.635 1.00 0.00 O ATOM 0 H TYR A 55 0.211 4.198 11.935 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.715 1.820 11.818 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.228 3.844 13.942 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.805 3.118 13.704 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.098 0.626 13.905 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.687 2.452 14.763 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.073 -1.605 14.152 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.705 0.214 15.014 1.00 0.00 H new ATOM 0 HH TYR A 55 1.404 -1.991 14.868 1.00 0.00 H new ATOM 418 N GLY A 56 -2.127 3.353 9.711 1.00 0.00 N ATOM 419 CA GLY A 56 -2.744 4.109 8.599 1.00 0.00 C ATOM 420 C GLY A 56 -2.378 3.603 7.189 1.00 0.00 C ATOM 421 O GLY A 56 -1.883 2.495 6.982 1.00 0.00 O ATOM 0 H GLY A 56 -1.544 2.572 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.828 4.074 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.449 5.155 8.682 1.00 0.00 H new ATOM 422 N VAL A 57 -2.689 4.455 6.220 1.00 0.00 N ATOM 423 CA VAL A 57 -2.702 4.098 4.766 1.00 0.00 C ATOM 424 C VAL A 57 -1.344 4.402 4.044 1.00 0.00 C ATOM 425 O VAL A 57 -0.535 5.244 4.447 1.00 0.00 O ATOM 426 CB VAL A 57 -3.925 4.851 4.130 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.206 4.567 2.641 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.256 4.471 4.803 1.00 0.00 C ATOM 0 H VAL A 57 -2.945 5.426 6.400 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.816 3.021 4.641 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.619 5.888 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.073 5.144 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.338 4.852 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.406 3.504 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.072 5.017 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.425 3.400 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.215 4.727 5.862 1.00 0.00 H new ATOM 429 N TYR A 58 -1.122 3.681 2.941 1.00 0.00 N ATOM 430 CA TYR A 58 0.121 3.735 2.144 1.00 0.00 C ATOM 431 C TYR A 58 -0.035 4.485 0.791 1.00 0.00 C ATOM 432 O TYR A 58 -1.010 4.309 0.060 1.00 0.00 O ATOM 433 CB TYR A 58 0.481 2.250 1.891 1.00 0.00 C ATOM 434 CG TYR A 58 0.968 1.392 3.071 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.551 1.925 4.228 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.969 0.011 2.880 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.256 1.100 5.097 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.661 -0.816 3.758 1.00 0.00 C ATOM 439 CZ TYR A 58 2.345 -0.266 4.833 1.00 0.00 C ATOM 440 OH TYR A 58 3.188 -1.056 5.555 1.00 0.00 O ATOM 0 H TYR A 58 -1.810 3.029 2.565 1.00 0.00 H new ATOM 0 HA TYR A 58 0.890 4.291 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.400 1.764 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.255 2.225 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.453 2.978 4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.431 -0.418 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.733 1.515 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.666 -1.885 3.604 1.00 0.00 H new ATOM 0 HH TYR A 58 3.926 -0.514 5.904 1.00 0.00 H new ATOM 441 N TYR A 59 0.983 5.265 0.413 1.00 0.00 N ATOM 442 CA TYR A 59 1.025 5.972 -0.902 1.00 0.00 C ATOM 443 C TYR A 59 1.258 4.999 -2.118 1.00 0.00 C ATOM 444 O TYR A 59 0.414 4.934 -3.014 1.00 0.00 O ATOM 445 CB TYR A 59 2.090 7.103 -0.768 1.00 0.00 C ATOM 446 CG TYR A 59 1.638 8.384 -0.033 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.651 8.444 1.367 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.239 9.513 -0.759 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.264 9.608 2.028 1.00 0.00 C ATOM 450 CE2 TYR A 59 0.865 10.681 -0.095 1.00 0.00 C ATOM 451 CZ TYR A 59 0.880 10.726 1.296 1.00 0.00 C ATOM 452 OH TYR A 59 0.508 11.869 1.949 1.00 0.00 O ATOM 0 H TYR A 59 1.803 5.433 0.995 1.00 0.00 H new ATOM 0 HA TYR A 59 0.056 6.413 -1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.957 6.697 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.421 7.381 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.963 7.582 1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.221 9.479 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.262 9.642 3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.564 11.551 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 59 0.994 12.633 1.574 1.00 0.00 H new ATOM 453 N LYS A 60 2.372 4.248 -2.145 1.00 0.00 N ATOM 454 CA LYS A 60 2.659 3.216 -3.174 1.00 0.00 C ATOM 455 C LYS A 60 2.888 1.871 -2.403 1.00 0.00 C ATOM 456 O LYS A 60 3.771 1.762 -1.547 1.00 0.00 O ATOM 457 CB LYS A 60 3.902 3.612 -4.023 1.00 0.00 C ATOM 458 CG LYS A 60 3.700 4.596 -5.207 1.00 0.00 C ATOM 459 CD LYS A 60 3.400 6.079 -4.880 1.00 0.00 C ATOM 460 CE LYS A 60 4.440 6.834 -4.034 1.00 0.00 C ATOM 461 NZ LYS A 60 5.700 7.052 -4.771 1.00 0.00 N ATOM 0 H LYS A 60 3.111 4.336 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 60 1.832 3.116 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.639 4.049 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.338 2.696 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.599 4.566 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.881 4.217 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.276 6.615 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.443 6.124 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.029 7.796 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.645 6.270 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.373 7.564 -4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.107 6.134 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.509 7.612 -5.626 1.00 0.00 H new ATOM 462 N CYS A 61 2.059 0.860 -2.684 1.00 0.00 N ATOM 463 CA CYS A 61 2.107 -0.468 -2.003 1.00 0.00 C ATOM 464 C CYS A 61 3.487 -1.242 -1.865 1.00 0.00 C ATOM 465 O CYS A 61 4.365 -1.072 -2.716 1.00 0.00 O ATOM 466 CB CYS A 61 1.163 -1.366 -2.840 1.00 0.00 C ATOM 467 SG CYS A 61 -0.565 -1.010 -2.529 1.00 0.00 S ATOM 0 H CYS A 61 1.327 0.926 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 61 1.848 -0.265 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.376 -1.225 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.363 -2.413 -2.611 1.00 0.00 H new ATOM 468 N PRO A 62 3.705 -2.134 -0.839 1.00 0.00 N ATOM 469 CA PRO A 62 4.919 -3.005 -0.754 1.00 0.00 C ATOM 470 C PRO A 62 5.153 -3.965 -1.978 1.00 0.00 C ATOM 471 O PRO A 62 4.269 -4.141 -2.816 1.00 0.00 O ATOM 472 CB PRO A 62 4.652 -3.807 0.542 1.00 0.00 C ATOM 473 CG PRO A 62 3.705 -2.953 1.377 1.00 0.00 C ATOM 474 CD PRO A 62 2.835 -2.239 0.350 1.00 0.00 C ATOM 0 HA PRO A 62 5.831 -2.408 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.207 -4.776 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.580 -4.000 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.105 -3.566 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.252 -2.243 1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.928 -2.803 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.522 -1.257 0.705 1.00 0.00 H new ATOM 475 N CYS A 63 6.321 -4.616 -2.077 1.00 0.00 N ATOM 476 CA CYS A 63 6.606 -5.617 -3.149 1.00 0.00 C ATOM 477 C CYS A 63 6.271 -7.061 -2.612 1.00 0.00 C ATOM 478 O CYS A 63 7.009 -7.570 -1.763 1.00 0.00 O ATOM 479 CB CYS A 63 8.089 -5.420 -3.537 1.00 0.00 C ATOM 480 SG CYS A 63 8.687 -3.716 -3.473 1.00 0.00 S ATOM 0 H CYS A 63 7.096 -4.475 -1.430 1.00 0.00 H new ATOM 0 HA CYS A 63 5.992 -5.486 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.704 -6.028 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.236 -5.801 -4.547 1.00 0.00 H new ATOM 481 N GLU A 64 5.174 -7.733 -3.049 1.00 0.00 N ATOM 482 CA GLU A 64 4.735 -9.020 -2.412 1.00 0.00 C ATOM 483 C GLU A 64 5.373 -10.392 -2.838 1.00 0.00 C ATOM 484 O GLU A 64 5.965 -11.072 -1.995 1.00 0.00 O ATOM 485 CB GLU A 64 3.179 -9.042 -2.214 1.00 0.00 C ATOM 486 CG GLU A 64 2.251 -9.956 -3.073 1.00 0.00 C ATOM 487 CD GLU A 64 0.784 -9.530 -3.100 1.00 0.00 C ATOM 488 OE1 GLU A 64 0.138 -9.807 -1.938 1.00 0.00 O ATOM 489 OE2 GLU A 64 0.246 -8.993 -4.062 1.00 0.00 O ATOM 0 H GLU A 64 4.584 -7.421 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 64 5.234 -8.969 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.998 -9.301 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.830 -8.019 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.628 -9.976 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.312 -10.975 -2.691 1.00 0.00 H new ATOM 490 N ARG A 65 5.227 -10.848 -4.096 1.00 0.00 N ATOM 491 CA ARG A 65 5.684 -12.211 -4.517 1.00 0.00 C ATOM 492 C ARG A 65 7.212 -12.322 -4.854 1.00 0.00 C ATOM 493 O ARG A 65 7.651 -12.305 -6.006 1.00 0.00 O ATOM 494 CB ARG A 65 4.743 -12.673 -5.660 1.00 0.00 C ATOM 495 CG ARG A 65 4.848 -14.186 -6.002 1.00 0.00 C ATOM 496 CD ARG A 65 5.508 -14.471 -7.363 1.00 0.00 C ATOM 497 NE ARG A 65 5.794 -15.924 -7.506 1.00 0.00 N ATOM 498 CZ ARG A 65 6.999 -16.484 -7.434 1.00 0.00 C ATOM 499 NH1 ARG A 65 8.104 -15.833 -7.176 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.086 -17.762 -7.637 1.00 0.00 N ATOM 0 H ARG A 65 4.799 -10.304 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 65 5.605 -12.894 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.714 -12.446 -5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.967 -12.093 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.419 -14.687 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.848 -14.621 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.852 -14.142 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.433 -13.901 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 65 5.000 -16.542 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.077 -14.826 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.993 -16.332 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.247 -18.304 -7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.993 -18.225 -7.590 1.00 0.00 H new ATOM 501 N GLY A 66 8.013 -12.476 -3.796 1.00 0.00 N ATOM 502 CA GLY A 66 9.499 -12.602 -3.904 1.00 0.00 C ATOM 503 C GLY A 66 10.340 -11.360 -4.293 1.00 0.00 C ATOM 504 O GLY A 66 11.376 -11.512 -4.944 1.00 0.00 O ATOM 0 H GLY A 66 7.668 -12.519 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.868 -12.959 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.709 -13.382 -4.636 1.00 0.00 H new ATOM 505 N LEU A 67 9.920 -10.155 -3.885 1.00 0.00 N ATOM 506 CA LEU A 67 10.637 -8.888 -4.201 1.00 0.00 C ATOM 507 C LEU A 67 11.036 -8.117 -2.901 1.00 0.00 C ATOM 508 O LEU A 67 10.302 -8.063 -1.910 1.00 0.00 O ATOM 509 CB LEU A 67 9.765 -7.983 -5.120 1.00 0.00 C ATOM 510 CG LEU A 67 9.785 -8.285 -6.637 1.00 0.00 C ATOM 511 CD1 LEU A 67 8.772 -9.373 -7.022 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.465 -7.036 -7.469 1.00 0.00 C ATOM 0 H LEU A 67 9.077 -10.019 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 67 11.554 -9.149 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.733 -8.048 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.084 -6.950 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 67 10.796 -8.630 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.821 -9.552 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.008 -10.294 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.767 -9.046 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.489 -7.289 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.473 -6.668 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.205 -6.263 -7.264 1.00 0.00 H new ATOM 513 N THR A 68 12.210 -7.474 -2.943 1.00 0.00 N ATOM 514 CA THR A 68 12.732 -6.639 -1.824 1.00 0.00 C ATOM 515 C THR A 68 12.539 -5.106 -2.078 1.00 0.00 C ATOM 516 O THR A 68 12.482 -4.631 -3.211 1.00 0.00 O ATOM 517 CB THR A 68 14.224 -7.031 -1.572 1.00 0.00 C ATOM 518 OG1 THR A 68 14.510 -6.907 -0.183 1.00 0.00 O ATOM 519 CG2 THR A 68 15.280 -6.178 -2.286 1.00 0.00 C ATOM 0 H THR A 68 12.834 -7.510 -3.749 1.00 0.00 H new ATOM 0 HA THR A 68 12.155 -6.841 -0.922 1.00 0.00 H new ATOM 0 HB THR A 68 14.298 -8.044 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.444 -7.153 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.275 -6.545 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.131 -6.242 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.185 -5.140 -1.968 1.00 0.00 H new ATOM 520 N CYS A 69 12.501 -4.351 -0.983 1.00 0.00 N ATOM 521 CA CYS A 69 12.425 -2.863 -1.019 1.00 0.00 C ATOM 522 C CYS A 69 13.855 -2.211 -0.909 1.00 0.00 C ATOM 523 O CYS A 69 14.315 -1.881 0.189 1.00 0.00 O ATOM 524 CB CYS A 69 11.397 -2.517 0.081 1.00 0.00 C ATOM 525 SG CYS A 69 10.570 -0.946 -0.213 1.00 0.00 S ATOM 0 H CYS A 69 12.521 -4.737 -0.039 1.00 0.00 H new ATOM 0 HA CYS A 69 12.081 -2.441 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.652 -3.310 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.902 -2.483 1.047 1.00 0.00 H new ATOM 526 N GLU A 70 14.567 -2.023 -2.030 1.00 0.00 N ATOM 527 CA GLU A 70 15.981 -1.546 -2.045 1.00 0.00 C ATOM 528 C GLU A 70 16.103 -0.001 -2.276 1.00 0.00 C ATOM 529 O GLU A 70 15.847 0.512 -3.368 1.00 0.00 O ATOM 530 CB GLU A 70 16.690 -2.377 -3.159 1.00 0.00 C ATOM 531 CG GLU A 70 18.241 -2.295 -3.226 1.00 0.00 C ATOM 532 CD GLU A 70 18.827 -1.016 -3.823 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.704 -0.972 -5.176 1.00 0.00 O ATOM 534 OE2 GLU A 70 19.348 -0.128 -3.157 1.00 0.00 O ATOM 0 H GLU A 70 14.188 -2.195 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 70 16.454 -1.698 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.412 -3.423 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.293 -2.059 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.634 -2.412 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.603 -3.142 -3.809 1.00 0.00 H new ATOM 625 N PHE A 84 10.610 6.137 -0.076 1.00 0.00 N ATOM 626 CA PHE A 84 10.188 4.724 -0.275 1.00 0.00 C ATOM 627 C PHE A 84 11.330 3.906 -0.977 1.00 0.00 C ATOM 628 O PHE A 84 12.107 4.429 -1.786 1.00 0.00 O ATOM 629 CB PHE A 84 8.873 4.718 -1.105 1.00 0.00 C ATOM 630 CG PHE A 84 7.654 5.502 -0.561 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.141 5.255 0.718 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.118 6.549 -1.318 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.134 6.064 1.243 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.112 7.356 -0.794 1.00 0.00 C ATOM 635 CZ PHE A 84 5.628 7.121 0.488 1.00 0.00 C ATOM 0 HA PHE A 84 10.001 4.243 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.104 5.110 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.568 3.680 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.528 4.433 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.487 6.733 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.747 5.872 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.707 8.165 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.859 7.758 0.899 1.00 0.00 H new ATOM 636 N GLY A 85 11.417 2.599 -0.683 1.00 0.00 N ATOM 637 CA GLY A 85 12.447 1.705 -1.305 1.00 0.00 C ATOM 638 C GLY A 85 12.001 1.027 -2.621 1.00 0.00 C ATOM 639 O GLY A 85 10.814 0.789 -2.828 1.00 0.00 O ATOM 0 H GLY A 85 10.798 2.126 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.346 2.289 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.719 0.931 -0.587 1.00 0.00 H new ATOM 640 N ILE A 86 12.928 0.638 -3.500 1.00 0.00 N ATOM 641 CA ILE A 86 12.573 0.179 -4.880 1.00 0.00 C ATOM 642 C ILE A 86 12.435 -1.383 -4.933 1.00 0.00 C ATOM 643 O ILE A 86 13.326 -2.136 -4.534 1.00 0.00 O ATOM 644 CB ILE A 86 13.632 0.678 -5.933 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.913 2.211 -5.937 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.208 0.283 -7.372 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.745 3.111 -6.385 1.00 0.00 C ATOM 0 H ILE A 86 13.928 0.625 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 86 11.608 0.616 -5.137 1.00 0.00 H new ATOM 0 HB ILE A 86 14.551 0.183 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 86 14.210 2.508 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.764 2.402 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.955 0.638 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.127 -0.802 -7.443 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.243 0.734 -7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 86 13.055 4.155 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.458 2.854 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.895 2.961 -5.720 1.00 0.00 H new ATOM 648 N CYS A 87 11.328 -1.855 -5.514 1.00 0.00 N ATOM 649 CA CYS A 87 11.063 -3.289 -5.754 1.00 0.00 C ATOM 650 C CYS A 87 12.085 -4.022 -6.687 1.00 0.00 C ATOM 651 O CYS A 87 12.263 -3.627 -7.842 1.00 0.00 O ATOM 652 CB CYS A 87 9.666 -3.288 -6.389 1.00 0.00 C ATOM 653 SG CYS A 87 8.379 -2.809 -5.223 1.00 0.00 S ATOM 0 H CYS A 87 10.575 -1.248 -5.838 1.00 0.00 H new ATOM 0 HA CYS A 87 11.149 -3.844 -4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.656 -2.604 -7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.447 -4.282 -6.779 1.00 0.00 H new ATOM 654 N HIS A 88 12.763 -5.072 -6.199 1.00 0.00 N ATOM 655 CA HIS A 88 13.664 -5.912 -7.036 1.00 0.00 C ATOM 656 C HIS A 88 13.596 -7.406 -6.588 1.00 0.00 C ATOM 657 O HIS A 88 13.565 -7.741 -5.401 1.00 0.00 O ATOM 658 CB HIS A 88 15.113 -5.385 -6.984 1.00 0.00 C ATOM 659 CG HIS A 88 15.399 -4.121 -7.797 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.611 -4.147 -9.168 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.388 -2.796 -7.322 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.716 -2.799 -9.401 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.628 -1.917 -8.362 1.00 0.00 N ATOM 0 H HIS A 88 12.710 -5.369 -5.225 1.00 0.00 H new ATOM 0 HA HIS A 88 13.324 -5.852 -8.070 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.370 -5.189 -5.943 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.778 -6.175 -7.333 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.217 -2.508 -6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.868 -2.435 -10.406 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.715 -0.901 -8.355 1.00 0.00 H new ATOM 664 N ASN A 89 13.676 -8.322 -7.553 1.00 0.00 N ATOM 665 CA ASN A 89 13.513 -9.788 -7.322 1.00 0.00 C ATOM 666 C ASN A 89 14.892 -10.504 -7.139 1.00 0.00 C ATOM 667 O ASN A 89 15.425 -11.214 -7.995 1.00 0.00 O ATOM 668 CB ASN A 89 12.704 -10.303 -8.531 1.00 0.00 C ATOM 669 CG ASN A 89 12.153 -11.727 -8.410 1.00 0.00 C ATOM 670 OD1 ASN A 89 12.856 -12.721 -8.536 1.00 0.00 O ATOM 671 ND2 ASN A 89 10.881 -11.890 -8.171 1.00 0.00 N ATOM 0 H ASN A 89 13.856 -8.084 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 89 12.985 -10.004 -6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.868 -9.624 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.339 -10.254 -9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.493 -12.830 -8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.274 -11.077 -8.062 1.00 0.00 H new ATOM 672 N VAL A 90 15.425 -10.320 -5.938 1.00 0.00 N ATOM 673 CA VAL A 90 16.755 -10.850 -5.515 1.00 0.00 C ATOM 674 C VAL A 90 16.883 -12.411 -5.333 1.00 0.00 C ATOM 675 O VAL A 90 18.003 -12.922 -5.273 1.00 0.00 O ATOM 676 CB VAL A 90 17.188 -10.050 -4.236 1.00 0.00 C ATOM 677 CG1 VAL A 90 17.429 -8.539 -4.477 1.00 0.00 C ATOM 678 CG2 VAL A 90 16.297 -10.223 -2.981 1.00 0.00 C ATOM 0 H VAL A 90 14.953 -9.792 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 90 17.441 -10.689 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 90 18.140 -10.534 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.724 -8.064 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.221 -8.410 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.512 -8.078 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 90 16.698 -9.622 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.282 -9.897 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 90 16.283 -11.272 -2.686 1.00 0.00 H new