USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 SER OG : rot 87:sc= 1.09 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -176:sc= 0.545 (180deg=0.537) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.0846 X(o=-0.58,f=-0.75) USER MOD Set 2.2: A 37 SER OG : rot 150:sc= -0.496 USER MOD Single : A 10 ASN : amide:sc= -0.0357 K(o=-0.036,f=-0.99) USER MOD Single : A 19 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.8!) USER MOD Single : A 20 SER OG : rot 115:sc= 1.27 USER MOD Single : A 22 GLN : amide:sc= 0.0146 K(o=0.015,f=-6.8!) USER MOD Single : A 24 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.175) USER MOD Single : A 25 SER OG : rot 35:sc= 0.638 USER MOD Single : A 26 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.7!) USER MOD Single : A 29 GLN : amide:sc= 0.0234 X(o=0.023,f=0) USER MOD Single : A 32 THR OG1 : rot -27:sc= 1.14 USER MOD Single : A 35 SER OG : rot 40:sc= 0.609 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.0125 (180deg=-0.629) 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 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= 0.00137 USER MOD Single : A 59 TYR OH : rot 152:sc= 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=-0.026) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -10.575 -8.357 6.542 1.00 0.00 N ATOM 70 CA ASN A 10 -11.041 -9.186 5.379 1.00 0.00 C ATOM 71 C ASN A 10 -11.744 -8.405 4.196 1.00 0.00 C ATOM 72 O ASN A 10 -12.974 -8.405 4.078 1.00 0.00 O ATOM 73 CB ASN A 10 -11.896 -10.349 5.983 1.00 0.00 C ATOM 74 CG ASN A 10 -12.369 -11.463 5.049 1.00 0.00 C ATOM 75 OD1 ASN A 10 -12.114 -11.513 3.853 1.00 0.00 O ATOM 76 ND2 ASN A 10 -13.082 -12.417 5.583 1.00 0.00 N ATOM 0 HA ASN A 10 -10.170 -9.573 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.314 -10.810 6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.778 -9.907 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.417 -13.188 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.304 -12.392 6.578 1.00 0.00 H new ATOM 77 N LEU A 11 -10.960 -7.769 3.302 1.00 0.00 N ATOM 78 CA LEU A 11 -11.504 -7.120 2.069 1.00 0.00 C ATOM 79 C LEU A 11 -10.490 -7.123 0.867 1.00 0.00 C ATOM 80 O LEU A 11 -9.267 -7.064 1.012 1.00 0.00 O ATOM 81 CB LEU A 11 -12.130 -5.720 2.349 1.00 0.00 C ATOM 82 CG LEU A 11 -11.200 -4.538 2.710 1.00 0.00 C ATOM 83 CD1 LEU A 11 -11.744 -3.192 2.213 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.014 -4.421 4.228 1.00 0.00 C ATOM 0 H LEU A 11 -9.948 -7.685 3.401 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.331 -7.750 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.699 -5.432 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.844 -5.837 3.164 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.251 -4.753 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.054 -2.395 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.847 -3.219 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.718 -3.004 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.355 -3.581 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.982 -4.258 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.572 -5.340 4.612 1.00 0.00 H new ATOM 85 N ASP A 12 -11.032 -7.244 -0.348 1.00 0.00 N ATOM 86 CA ASP A 12 -10.245 -7.304 -1.614 1.00 0.00 C ATOM 87 C ASP A 12 -9.867 -5.898 -2.200 1.00 0.00 C ATOM 88 O ASP A 12 -10.363 -4.857 -1.755 1.00 0.00 O ATOM 89 CB ASP A 12 -11.112 -8.128 -2.610 1.00 0.00 C ATOM 90 CG ASP A 12 -11.263 -9.616 -2.304 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.090 -10.293 -2.425 1.00 0.00 O ATOM 92 OD2 ASP A 12 -12.322 -10.146 -1.992 1.00 0.00 O ATOM 0 H ASP A 12 -12.039 -7.305 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.278 -7.770 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.107 -7.684 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.680 -8.025 -3.606 1.00 0.00 H new ATOM 93 N GLU A 13 -9.011 -5.873 -3.245 1.00 0.00 N ATOM 94 CA GLU A 13 -8.665 -4.617 -3.980 1.00 0.00 C ATOM 95 C GLU A 13 -9.928 -3.996 -4.686 1.00 0.00 C ATOM 96 O GLU A 13 -10.660 -4.668 -5.419 1.00 0.00 O ATOM 97 CB GLU A 13 -7.440 -4.917 -4.904 1.00 0.00 C ATOM 98 CG GLU A 13 -7.202 -4.012 -6.146 1.00 0.00 C ATOM 99 CD GLU A 13 -7.908 -4.461 -7.425 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.635 -5.494 -8.028 1.00 0.00 O ATOM 101 OE2 GLU A 13 -8.863 -3.583 -7.828 1.00 0.00 O ATOM 0 H GLU A 13 -8.542 -6.704 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.354 -3.825 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.542 -4.874 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.536 -5.944 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.529 -3.000 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.130 -3.963 -6.340 1.00 0.00 H new ATOM 102 N GLY A 14 -10.166 -2.705 -4.417 1.00 0.00 N ATOM 103 CA GLY A 14 -11.387 -1.980 -4.883 1.00 0.00 C ATOM 104 C GLY A 14 -12.343 -1.428 -3.788 1.00 0.00 C ATOM 105 O GLY A 14 -13.136 -0.533 -4.080 1.00 0.00 O ATOM 0 H GLY A 14 -9.529 -2.123 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.067 -1.144 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.958 -2.654 -5.522 1.00 0.00 H new ATOM 106 N GLU A 15 -12.293 -1.953 -2.554 1.00 0.00 N ATOM 107 CA GLU A 15 -13.165 -1.527 -1.425 1.00 0.00 C ATOM 108 C GLU A 15 -12.416 -0.578 -0.416 1.00 0.00 C ATOM 109 O GLU A 15 -11.189 -0.605 -0.266 1.00 0.00 O ATOM 110 CB GLU A 15 -13.689 -2.846 -0.777 1.00 0.00 C ATOM 111 CG GLU A 15 -14.854 -3.552 -1.520 1.00 0.00 C ATOM 112 CD GLU A 15 -16.221 -2.889 -1.344 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.565 -1.861 -1.920 1.00 0.00 O ATOM 114 OE2 GLU A 15 -17.007 -3.550 -0.451 1.00 0.00 O ATOM 0 H GLU A 15 -11.641 -2.695 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.001 -0.918 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.857 -3.545 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.014 -2.624 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.618 -3.590 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.918 -4.583 -1.171 1.00 0.00 H new ATOM 115 N LEU A 16 -13.181 0.277 0.282 1.00 0.00 N ATOM 116 CA LEU A 16 -12.636 1.327 1.202 1.00 0.00 C ATOM 117 C LEU A 16 -12.094 0.748 2.564 1.00 0.00 C ATOM 118 O LEU A 16 -12.762 -0.030 3.254 1.00 0.00 O ATOM 119 CB LEU A 16 -13.765 2.392 1.392 1.00 0.00 C ATOM 120 CG LEU A 16 -13.334 3.860 1.674 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.526 4.806 1.438 1.00 0.00 C ATOM 122 CD2 LEU A 16 -12.822 4.094 3.104 1.00 0.00 C ATOM 0 H LEU A 16 -14.200 0.271 0.234 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.753 1.788 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.382 2.390 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.400 2.065 2.215 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.510 4.063 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.220 5.833 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.859 4.720 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.343 4.535 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.541 5.140 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.608 3.846 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.953 3.462 3.287 1.00 0.00 H new ATOM 123 N CYS A 17 -10.860 1.132 2.930 1.00 0.00 N ATOM 124 CA CYS A 17 -10.190 0.710 4.191 1.00 0.00 C ATOM 125 C CYS A 17 -9.662 1.916 5.034 1.00 0.00 C ATOM 126 O CYS A 17 -9.278 2.958 4.494 1.00 0.00 O ATOM 127 CB CYS A 17 -9.009 -0.197 3.771 1.00 0.00 C ATOM 128 SG CYS A 17 -7.946 0.637 2.563 1.00 0.00 S ATOM 0 H CYS A 17 -10.285 1.751 2.358 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.907 0.194 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.424 -0.468 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.392 -1.124 3.345 1.00 0.00 H new ATOM 129 N LEU A 18 -9.592 1.762 6.369 1.00 0.00 N ATOM 130 CA LEU A 18 -8.985 2.786 7.266 1.00 0.00 C ATOM 131 C LEU A 18 -7.445 2.502 7.374 1.00 0.00 C ATOM 132 O LEU A 18 -6.666 3.325 6.911 1.00 0.00 O ATOM 133 CB LEU A 18 -9.685 2.856 8.659 1.00 0.00 C ATOM 134 CG LEU A 18 -11.167 3.309 8.728 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.150 2.179 8.375 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.494 3.803 10.149 1.00 0.00 C ATOM 0 H LEU A 18 -9.946 0.941 6.859 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.136 3.775 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.621 1.866 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.104 3.531 9.287 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.285 4.106 7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.172 2.552 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.955 1.830 7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.021 1.353 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.536 4.120 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.330 2.995 10.862 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.848 4.644 10.399 1.00 0.00 H new ATOM 137 N ASN A 19 -6.992 1.440 8.068 1.00 0.00 N ATOM 138 CA ASN A 19 -5.553 1.017 8.104 1.00 0.00 C ATOM 139 C ASN A 19 -5.173 -0.103 7.062 1.00 0.00 C ATOM 140 O ASN A 19 -6.038 -0.713 6.427 1.00 0.00 O ATOM 141 CB ASN A 19 -5.220 0.662 9.587 1.00 0.00 C ATOM 142 CG ASN A 19 -5.924 -0.557 10.189 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.563 -1.694 9.929 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.944 -0.371 10.984 1.00 0.00 N ATOM 0 H ASN A 19 -7.603 0.842 8.624 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.920 1.840 7.772 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.144 0.503 9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.458 1.529 10.204 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.433 -1.173 11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.252 0.576 11.206 1.00 0.00 H new ATOM 145 N SER A 20 -3.867 -0.434 6.948 1.00 0.00 N ATOM 146 CA SER A 20 -3.388 -1.543 6.051 1.00 0.00 C ATOM 147 C SER A 20 -3.568 -3.003 6.565 1.00 0.00 C ATOM 148 O SER A 20 -3.559 -3.921 5.742 1.00 0.00 O ATOM 149 CB SER A 20 -1.928 -1.268 5.654 1.00 0.00 C ATOM 150 OG SER A 20 -1.881 -0.191 4.717 1.00 0.00 O ATOM 0 H SER A 20 -3.120 0.039 7.457 1.00 0.00 H new ATOM 0 HA SER A 20 -4.054 -1.516 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.341 -1.020 6.538 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.485 -2.163 5.217 1.00 0.00 H new ATOM 0 HG SER A 20 -1.413 0.571 5.118 1.00 0.00 H new ATOM 151 N ALA A 21 -3.761 -3.230 7.875 1.00 0.00 N ATOM 152 CA ALA A 21 -4.103 -4.584 8.402 1.00 0.00 C ATOM 153 C ALA A 21 -5.606 -5.037 8.219 1.00 0.00 C ATOM 154 O ALA A 21 -6.024 -6.069 8.749 1.00 0.00 O ATOM 155 CB ALA A 21 -3.723 -4.523 9.887 1.00 0.00 C ATOM 0 H ALA A 21 -3.689 -2.508 8.592 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.561 -5.338 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.941 -5.481 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.659 -4.306 9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.298 -3.738 10.378 1.00 0.00 H new ATOM 156 N GLN A 22 -6.395 -4.291 7.427 1.00 0.00 N ATOM 157 CA GLN A 22 -7.805 -4.605 7.117 1.00 0.00 C ATOM 158 C GLN A 22 -7.975 -5.406 5.791 1.00 0.00 C ATOM 159 O GLN A 22 -8.726 -6.378 5.804 1.00 0.00 O ATOM 160 CB GLN A 22 -8.619 -3.286 7.094 1.00 0.00 C ATOM 161 CG GLN A 22 -8.951 -2.703 8.489 1.00 0.00 C ATOM 162 CD GLN A 22 -9.881 -1.502 8.442 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.444 -0.365 8.394 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.176 -1.697 8.453 1.00 0.00 N ATOM 0 H GLN A 22 -6.067 -3.437 6.975 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.187 -5.261 7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.060 -2.541 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.552 -3.460 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.408 -3.482 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.023 -2.414 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.549 -2.646 8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.812 -0.900 8.421 1.00 0.00 H new ATOM 165 N CYS A 23 -7.344 -5.053 4.658 1.00 0.00 N ATOM 166 CA CYS A 23 -7.478 -5.838 3.408 1.00 0.00 C ATOM 167 C CYS A 23 -6.858 -7.284 3.499 1.00 0.00 C ATOM 168 O CYS A 23 -5.866 -7.507 4.199 1.00 0.00 O ATOM 169 CB CYS A 23 -6.767 -5.047 2.291 1.00 0.00 C ATOM 170 SG CYS A 23 -7.000 -3.251 2.329 1.00 0.00 S ATOM 0 H CYS A 23 -6.739 -4.236 4.577 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.540 -5.979 3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.699 -5.257 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.117 -5.420 1.328 1.00 0.00 H new ATOM 171 N LYS A 24 -7.415 -8.267 2.765 1.00 0.00 N ATOM 172 CA LYS A 24 -6.810 -9.637 2.650 1.00 0.00 C ATOM 173 C LYS A 24 -5.360 -9.551 2.046 1.00 0.00 C ATOM 174 O LYS A 24 -4.403 -10.063 2.633 1.00 0.00 O ATOM 175 CB LYS A 24 -7.776 -10.544 1.841 1.00 0.00 C ATOM 176 CG LYS A 24 -9.020 -11.090 2.572 1.00 0.00 C ATOM 177 CD LYS A 24 -8.755 -11.938 3.842 1.00 0.00 C ATOM 178 CE LYS A 24 -8.064 -13.300 3.636 1.00 0.00 C ATOM 179 NZ LYS A 24 -6.592 -13.180 3.631 1.00 0.00 N ATOM 0 H LYS A 24 -8.281 -8.152 2.239 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.687 -10.091 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.117 -9.982 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.205 -11.394 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.651 -10.246 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.591 -11.697 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.144 -11.347 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.709 -12.113 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.369 -13.984 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.395 -13.735 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.176 -13.991 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.248 -13.165 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.314 -12.299 4.108 1.00 0.00 H new ATOM 180 N SER A 25 -5.208 -8.899 0.877 1.00 0.00 N ATOM 181 CA SER A 25 -3.877 -8.519 0.335 1.00 0.00 C ATOM 182 C SER A 25 -3.579 -7.177 1.098 1.00 0.00 C ATOM 183 O SER A 25 -4.091 -6.126 0.701 1.00 0.00 O ATOM 184 CB SER A 25 -3.937 -8.393 -1.208 1.00 0.00 C ATOM 185 OG SER A 25 -4.848 -7.379 -1.649 1.00 0.00 O ATOM 0 H SER A 25 -5.990 -8.621 0.284 1.00 0.00 H new ATOM 0 HA SER A 25 -3.080 -9.246 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.940 -8.169 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.233 -9.351 -1.635 1.00 0.00 H new ATOM 0 HG SER A 25 -4.835 -6.630 -1.017 1.00 0.00 H new ATOM 186 N ASN A 26 -2.757 -7.224 2.164 1.00 0.00 N ATOM 187 CA ASN A 26 -2.547 -6.078 3.111 1.00 0.00 C ATOM 188 C ASN A 26 -1.809 -4.843 2.488 1.00 0.00 C ATOM 189 O ASN A 26 -0.595 -4.630 2.556 1.00 0.00 O ATOM 190 CB ASN A 26 -1.776 -6.643 4.341 1.00 0.00 C ATOM 191 CG ASN A 26 -2.569 -7.556 5.281 1.00 0.00 C ATOM 192 OD1 ASN A 26 -3.241 -7.116 6.202 1.00 0.00 O ATOM 193 ND2 ASN A 26 -2.517 -8.851 5.112 1.00 0.00 N ATOM 0 H ASN A 26 -2.213 -8.052 2.405 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.521 -5.679 3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.910 -7.196 3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.396 -5.802 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.030 -9.468 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.963 -9.244 4.351 1.00 0.00 H new ATOM 194 N CYS A 27 -2.667 -4.029 1.870 1.00 0.00 N ATOM 195 CA CYS A 27 -2.284 -2.851 1.068 1.00 0.00 C ATOM 196 C CYS A 27 -3.420 -1.779 1.083 1.00 0.00 C ATOM 197 O CYS A 27 -4.172 -1.656 0.110 1.00 0.00 O ATOM 198 CB CYS A 27 -1.976 -3.406 -0.356 1.00 0.00 C ATOM 199 SG CYS A 27 -1.997 -2.143 -1.649 1.00 0.00 S ATOM 0 H CYS A 27 -3.676 -4.169 1.911 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.411 -2.334 1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.997 -3.886 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.706 -4.177 -0.602 1.00 0.00 H new ATOM 200 N CYS A 28 -3.574 -0.987 2.168 1.00 0.00 N ATOM 201 CA CYS A 28 -4.531 0.158 2.163 1.00 0.00 C ATOM 202 C CYS A 28 -3.784 1.331 1.468 1.00 0.00 C ATOM 203 O CYS A 28 -2.780 1.853 1.966 1.00 0.00 O ATOM 204 CB CYS A 28 -5.025 0.517 3.569 1.00 0.00 C ATOM 205 SG CYS A 28 -6.448 1.617 3.465 1.00 0.00 S ATOM 0 H CYS A 28 -3.064 -1.109 3.043 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.443 -0.095 1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.296 -0.390 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.225 0.997 4.132 1.00 0.00 H new ATOM 206 N GLN A 29 -4.250 1.683 0.274 1.00 0.00 N ATOM 207 CA GLN A 29 -3.579 2.663 -0.603 1.00 0.00 C ATOM 208 C GLN A 29 -4.261 4.059 -0.518 1.00 0.00 C ATOM 209 O GLN A 29 -5.481 4.201 -0.628 1.00 0.00 O ATOM 210 CB GLN A 29 -3.588 2.001 -2.006 1.00 0.00 C ATOM 211 CG GLN A 29 -2.367 2.361 -2.903 1.00 0.00 C ATOM 212 CD GLN A 29 -2.630 3.223 -4.130 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.304 2.868 -5.256 1.00 0.00 O ATOM 214 NE2 GLN A 29 -3.187 4.385 -3.955 1.00 0.00 N ATOM 0 H GLN A 29 -5.108 1.300 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.552 2.884 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.624 0.919 -1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.501 2.293 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.632 2.874 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.908 1.430 -3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.460 4.684 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.351 4.997 -4.754 1.00 0.00 H new ATOM 215 N HIS A 30 -3.447 5.094 -0.311 1.00 0.00 N ATOM 216 CA HIS A 30 -3.924 6.476 -0.067 1.00 0.00 C ATOM 217 C HIS A 30 -4.355 7.262 -1.353 1.00 0.00 C ATOM 218 O HIS A 30 -4.201 6.819 -2.493 1.00 0.00 O ATOM 219 CB HIS A 30 -2.748 7.144 0.723 1.00 0.00 C ATOM 220 CG HIS A 30 -3.087 8.298 1.667 1.00 0.00 C ATOM 221 ND1 HIS A 30 -4.345 8.568 2.199 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.125 9.167 2.209 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.015 9.627 3.007 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.723 10.061 3.076 1.00 0.00 N ATOM 0 H HIS A 30 -2.431 5.008 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.858 6.481 0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.254 6.368 1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.021 7.508 -0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.070 9.140 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.780 10.118 3.590 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.316 10.826 3.614 1.00 0.00 H new ATOM 225 N ASP A 31 -4.917 8.457 -1.140 1.00 0.00 N ATOM 226 CA ASP A 31 -5.259 9.407 -2.229 1.00 0.00 C ATOM 227 C ASP A 31 -3.947 10.163 -2.638 1.00 0.00 C ATOM 228 O ASP A 31 -3.462 10.043 -3.764 1.00 0.00 O ATOM 229 CB ASP A 31 -6.466 10.276 -1.783 1.00 0.00 C ATOM 230 CG ASP A 31 -6.422 11.110 -0.499 1.00 0.00 C ATOM 231 OD1 ASP A 31 -5.507 11.101 0.319 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.536 11.869 -0.353 1.00 0.00 O ATOM 0 H ASP A 31 -5.152 8.802 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.607 8.924 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.680 10.965 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.323 9.608 -1.697 1.00 0.00 H new ATOM 233 N THR A 32 -3.384 10.944 -1.705 1.00 0.00 N ATOM 234 CA THR A 32 -2.056 11.584 -1.834 1.00 0.00 C ATOM 235 C THR A 32 -1.649 11.938 -0.368 1.00 0.00 C ATOM 236 O THR A 32 -0.958 11.142 0.256 1.00 0.00 O ATOM 237 CB THR A 32 -1.952 12.771 -2.843 1.00 0.00 C ATOM 238 OG1 THR A 32 -2.667 12.541 -4.051 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.497 12.980 -3.252 1.00 0.00 C ATOM 0 H THR A 32 -3.844 11.156 -0.820 1.00 0.00 H new ATOM 0 HA THR A 32 -1.351 10.898 -2.303 1.00 0.00 H new ATOM 0 HB THR A 32 -2.374 13.633 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.724 11.577 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.433 13.810 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.100 13.206 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.118 12.074 -3.724 1.00 0.00 H new ATOM 240 N ILE A 33 -2.091 13.077 0.200 1.00 0.00 N ATOM 241 CA ILE A 33 -1.803 13.470 1.624 1.00 0.00 C ATOM 242 C ILE A 33 -3.118 13.737 2.465 1.00 0.00 C ATOM 243 O ILE A 33 -3.037 13.645 3.692 1.00 0.00 O ATOM 244 CB ILE A 33 -0.760 14.662 1.607 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.652 14.161 1.164 1.00 0.00 C ATOM 246 CG2 ILE A 33 -0.586 15.374 2.977 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.683 15.216 0.741 1.00 0.00 C ATOM 0 H ILE A 33 -2.658 13.761 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.345 12.639 2.160 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.176 15.378 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.078 13.587 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.517 13.471 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.145 16.177 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.542 15.790 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.238 14.655 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.614 14.723 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.300 15.779 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.869 15.897 1.572 1.00 0.00 H new ATOM 248 N LEU A 34 -4.302 14.056 1.884 1.00 0.00 N ATOM 249 CA LEU A 34 -5.553 14.315 2.667 1.00 0.00 C ATOM 250 C LEU A 34 -6.208 12.975 3.176 1.00 0.00 C ATOM 251 O LEU A 34 -5.595 12.323 4.024 1.00 0.00 O ATOM 252 CB LEU A 34 -6.430 15.260 1.783 1.00 0.00 C ATOM 253 CG LEU A 34 -7.652 15.921 2.480 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.233 17.001 3.492 1.00 0.00 C ATOM 255 CD2 LEU A 34 -8.581 16.554 1.433 1.00 0.00 C ATOM 0 H LEU A 34 -4.424 14.142 0.875 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.378 14.831 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.791 16.051 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.792 14.689 0.928 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.172 15.131 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.122 17.433 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.606 16.553 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.674 17.783 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.433 17.014 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.035 17.314 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.935 15.784 0.748 1.00 0.00 H new ATOM 256 N SER A 35 -7.413 12.535 2.737 1.00 0.00 N ATOM 257 CA SER A 35 -8.010 11.265 3.260 1.00 0.00 C ATOM 258 C SER A 35 -9.136 10.634 2.376 1.00 0.00 C ATOM 259 O SER A 35 -10.295 11.060 2.391 1.00 0.00 O ATOM 260 CB SER A 35 -8.555 11.494 4.701 1.00 0.00 C ATOM 261 OG SER A 35 -9.670 12.392 4.721 1.00 0.00 O ATOM 0 H SER A 35 -7.982 13.019 2.043 1.00 0.00 H new ATOM 0 HA SER A 35 -7.193 10.544 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.853 10.538 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.759 11.892 5.330 1.00 0.00 H new ATOM 0 HG SER A 35 -10.253 12.207 3.955 1.00 0.00 H new ATOM 262 N LEU A 36 -8.766 9.595 1.621 1.00 0.00 N ATOM 263 CA LEU A 36 -9.698 8.746 0.826 1.00 0.00 C ATOM 264 C LEU A 36 -8.854 7.472 0.497 1.00 0.00 C ATOM 265 O LEU A 36 -8.180 7.402 -0.535 1.00 0.00 O ATOM 266 CB LEU A 36 -10.280 9.487 -0.416 1.00 0.00 C ATOM 267 CG LEU A 36 -11.301 8.687 -1.267 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.598 8.372 -0.500 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.650 9.469 -2.542 1.00 0.00 C ATOM 0 H LEU A 36 -7.792 9.303 1.535 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.606 8.482 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.760 10.404 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.451 9.781 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.825 7.739 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.275 7.811 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.363 7.778 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.076 9.303 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.367 8.900 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.085 10.431 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.745 9.632 -3.128 1.00 0.00 H new ATOM 270 N SER A 37 -8.853 6.488 1.412 1.00 0.00 N ATOM 271 CA SER A 37 -7.978 5.291 1.305 1.00 0.00 C ATOM 272 C SER A 37 -8.764 4.003 0.886 1.00 0.00 C ATOM 273 O SER A 37 -9.799 3.642 1.455 1.00 0.00 O ATOM 274 CB SER A 37 -7.241 5.125 2.658 1.00 0.00 C ATOM 275 OG SER A 37 -6.629 6.337 3.124 1.00 0.00 O ATOM 0 H SER A 37 -9.448 6.491 2.240 1.00 0.00 H new ATOM 0 HA SER A 37 -7.252 5.438 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.949 4.772 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.475 4.356 2.555 1.00 0.00 H new ATOM 0 HG SER A 37 -6.612 6.339 4.104 1.00 0.00 H new ATOM 276 N ARG A 38 -8.249 3.314 -0.137 1.00 0.00 N ATOM 277 CA ARG A 38 -8.892 2.120 -0.756 1.00 0.00 C ATOM 278 C ARG A 38 -7.854 0.960 -0.927 1.00 0.00 C ATOM 279 O ARG A 38 -6.670 1.195 -1.186 1.00 0.00 O ATOM 280 CB ARG A 38 -9.465 2.609 -2.116 1.00 0.00 C ATOM 281 CG ARG A 38 -10.448 1.642 -2.829 1.00 0.00 C ATOM 282 CD ARG A 38 -10.365 1.705 -4.365 1.00 0.00 C ATOM 283 NE ARG A 38 -9.169 0.945 -4.817 1.00 0.00 N ATOM 284 CZ ARG A 38 -8.758 0.828 -6.069 1.00 0.00 C ATOM 285 NH1 ARG A 38 -9.337 1.401 -7.091 1.00 0.00 N ATOM 286 NH2 ARG A 38 -7.713 0.095 -6.286 1.00 0.00 N ATOM 0 H ARG A 38 -7.362 3.563 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.687 1.710 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.975 3.558 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.631 2.808 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.242 0.622 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.466 1.877 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.268 1.285 -4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.300 2.741 -4.696 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.618 0.473 -4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.162 1.983 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.964 1.266 -8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.242 -0.364 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.361 -0.023 -7.236 1.00 0.00 H new ATOM 287 N CYS A 39 -8.272 -0.312 -0.805 1.00 0.00 N ATOM 288 CA CYS A 39 -7.364 -1.466 -1.021 1.00 0.00 C ATOM 289 C CYS A 39 -6.904 -1.631 -2.506 1.00 0.00 C ATOM 290 O CYS A 39 -7.647 -1.431 -3.471 1.00 0.00 O ATOM 291 CB CYS A 39 -8.066 -2.747 -0.545 1.00 0.00 C ATOM 292 SG CYS A 39 -8.553 -2.725 1.189 1.00 0.00 S ATOM 0 H CYS A 39 -9.227 -0.572 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.459 -1.277 -0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.953 -2.910 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.402 -3.595 -0.713 1.00 0.00 H new ATOM 293 N ALA A 40 -5.642 -2.023 -2.645 1.00 0.00 N ATOM 294 CA ALA A 40 -4.946 -2.127 -3.947 1.00 0.00 C ATOM 295 C ALA A 40 -4.003 -3.376 -4.059 1.00 0.00 C ATOM 296 O ALA A 40 -3.974 -4.263 -3.198 1.00 0.00 O ATOM 297 CB ALA A 40 -4.246 -0.760 -4.052 1.00 0.00 C ATOM 0 H ALA A 40 -5.055 -2.284 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.612 -2.312 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.687 -0.708 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.993 0.034 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.562 -0.636 -3.213 1.00 0.00 H new ATOM 298 N LEU A 41 -3.249 -3.454 -5.164 1.00 0.00 N ATOM 299 CA LEU A 41 -2.252 -4.540 -5.395 1.00 0.00 C ATOM 300 C LEU A 41 -0.812 -4.157 -4.900 1.00 0.00 C ATOM 301 O LEU A 41 -0.422 -2.986 -4.836 1.00 0.00 O ATOM 302 CB LEU A 41 -2.217 -4.874 -6.920 1.00 0.00 C ATOM 303 CG LEU A 41 -3.497 -5.433 -7.595 1.00 0.00 C ATOM 304 CD1 LEU A 41 -3.249 -5.642 -9.098 1.00 0.00 C ATOM 305 CD2 LEU A 41 -3.978 -6.758 -6.980 1.00 0.00 C ATOM 0 H LEU A 41 -3.302 -2.777 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.563 -5.409 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.935 -3.964 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.417 -5.597 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.280 -4.693 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.152 -6.035 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.987 -4.690 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.432 -6.350 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.876 -7.094 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.197 -7.511 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.202 -6.609 -5.924 1.00 0.00 H new ATOM 306 N LYS A 42 -0.014 -5.182 -4.572 1.00 0.00 N ATOM 307 CA LYS A 42 1.427 -5.026 -4.208 1.00 0.00 C ATOM 308 C LYS A 42 2.345 -4.816 -5.470 1.00 0.00 C ATOM 309 O LYS A 42 2.049 -5.294 -6.572 1.00 0.00 O ATOM 310 CB LYS A 42 1.809 -6.246 -3.320 1.00 0.00 C ATOM 311 CG LYS A 42 1.749 -7.665 -3.948 1.00 0.00 C ATOM 312 CD LYS A 42 1.848 -8.822 -2.926 1.00 0.00 C ATOM 313 CE LYS A 42 0.528 -9.258 -2.258 1.00 0.00 C ATOM 314 NZ LYS A 42 0.127 -8.360 -1.157 1.00 0.00 N ATOM 0 H LYS A 42 -0.336 -6.149 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 42 1.591 -4.114 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.824 -6.087 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.154 -6.241 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.815 -7.765 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.560 -7.764 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.279 -9.687 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.547 -8.528 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.263 -9.284 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.637 -10.272 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.532 -8.858 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.970 -8.071 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.340 -7.517 -1.549 1.00 0.00 H new ATOM 315 N ALA A 43 3.466 -4.097 -5.314 1.00 0.00 N ATOM 316 CA ALA A 43 4.343 -3.713 -6.447 1.00 0.00 C ATOM 317 C ALA A 43 5.292 -4.828 -7.008 1.00 0.00 C ATOM 318 O ALA A 43 5.644 -5.824 -6.369 1.00 0.00 O ATOM 319 CB ALA A 43 5.137 -2.492 -5.938 1.00 0.00 C ATOM 0 H ALA A 43 3.795 -3.764 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 43 3.719 -3.502 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.812 -2.145 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.445 -1.692 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.716 -2.775 -5.059 1.00 0.00 H new ATOM 320 N ARG A 44 5.705 -4.596 -8.255 1.00 0.00 N ATOM 321 CA ARG A 44 6.589 -5.500 -9.038 1.00 0.00 C ATOM 322 C ARG A 44 7.962 -4.825 -9.350 1.00 0.00 C ATOM 323 O ARG A 44 8.166 -3.623 -9.165 1.00 0.00 O ATOM 324 CB ARG A 44 5.792 -5.901 -10.317 1.00 0.00 C ATOM 325 CG ARG A 44 4.877 -7.141 -10.125 1.00 0.00 C ATOM 326 CD ARG A 44 3.472 -7.010 -10.741 1.00 0.00 C ATOM 327 NE ARG A 44 2.598 -6.193 -9.857 1.00 0.00 N ATOM 328 CZ ARG A 44 1.397 -5.731 -10.179 1.00 0.00 C ATOM 329 NH1 ARG A 44 0.829 -5.901 -11.344 1.00 0.00 N ATOM 330 NH2 ARG A 44 0.746 -5.069 -9.276 1.00 0.00 N ATOM 0 H ARG A 44 5.435 -3.759 -8.772 1.00 0.00 H new ATOM 0 HA ARG A 44 6.848 -6.396 -8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.180 -5.056 -10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.497 -6.103 -11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.370 -8.010 -10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.773 -7.336 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.540 -6.547 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.036 -7.999 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 44 2.951 -5.970 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.314 -6.419 -12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.099 -5.516 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.160 -4.919 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.181 -4.697 -9.485 1.00 0.00 H new ATOM 331 N GLU A 45 8.918 -5.625 -9.840 1.00 0.00 N ATOM 332 CA GLU A 45 10.325 -5.191 -10.086 1.00 0.00 C ATOM 333 C GLU A 45 10.470 -3.910 -10.980 1.00 0.00 C ATOM 334 O GLU A 45 9.878 -3.794 -12.055 1.00 0.00 O ATOM 335 CB GLU A 45 11.099 -6.405 -10.672 1.00 0.00 C ATOM 336 CG GLU A 45 12.635 -6.310 -10.474 1.00 0.00 C ATOM 337 CD GLU A 45 13.422 -7.400 -11.187 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.843 -7.299 -12.334 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.606 -8.502 -10.413 1.00 0.00 O ATOM 0 H GLU A 45 8.749 -6.601 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 45 10.754 -4.880 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.735 -7.319 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.882 -6.485 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.977 -5.338 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.857 -6.355 -9.408 1.00 0.00 H new ATOM 340 N ASN A 46 11.270 -2.955 -10.483 1.00 0.00 N ATOM 341 CA ASN A 46 11.452 -1.586 -11.083 1.00 0.00 C ATOM 342 C ASN A 46 10.205 -0.630 -10.901 1.00 0.00 C ATOM 343 O ASN A 46 10.023 0.317 -11.669 1.00 0.00 O ATOM 344 CB ASN A 46 11.986 -1.640 -12.550 1.00 0.00 C ATOM 345 CG ASN A 46 13.358 -2.290 -12.725 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.395 -1.696 -12.460 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.415 -3.519 -13.165 1.00 0.00 N ATOM 0 H ASN A 46 11.826 -3.095 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 46 12.239 -1.116 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.265 -2.183 -13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.032 -0.623 -12.939 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.319 -3.976 -13.285 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.556 -4.021 -13.388 1.00 0.00 H new ATOM 348 N SER A 47 9.398 -0.817 -9.836 1.00 0.00 N ATOM 349 CA SER A 47 8.263 0.078 -9.479 1.00 0.00 C ATOM 350 C SER A 47 8.412 0.584 -8.008 1.00 0.00 C ATOM 351 O SER A 47 8.966 -0.096 -7.135 1.00 0.00 O ATOM 352 CB SER A 47 6.927 -0.682 -9.670 1.00 0.00 C ATOM 353 OG SER A 47 6.768 -1.144 -11.012 1.00 0.00 O ATOM 0 H SER A 47 9.512 -1.598 -9.190 1.00 0.00 H new ATOM 0 HA SER A 47 8.269 0.949 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.890 -1.530 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.096 -0.027 -9.410 1.00 0.00 H new ATOM 0 HG SER A 47 5.915 -1.620 -11.095 1.00 0.00 H new ATOM 354 N GLU A 48 7.903 1.793 -7.722 1.00 0.00 N ATOM 355 CA GLU A 48 7.996 2.423 -6.392 1.00 0.00 C ATOM 356 C GLU A 48 7.068 1.728 -5.333 1.00 0.00 C ATOM 357 O GLU A 48 5.881 1.472 -5.547 1.00 0.00 O ATOM 358 CB GLU A 48 7.708 3.939 -6.569 1.00 0.00 C ATOM 359 CG GLU A 48 8.289 4.786 -5.408 1.00 0.00 C ATOM 360 CD GLU A 48 7.984 6.279 -5.453 1.00 0.00 C ATOM 361 OE1 GLU A 48 6.654 6.545 -5.357 1.00 0.00 O ATOM 362 OE2 GLU A 48 8.844 7.148 -5.531 1.00 0.00 O ATOM 0 H GLU A 48 7.413 2.365 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 48 8.999 2.296 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.133 4.280 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.631 4.098 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.910 4.386 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.371 4.657 -5.396 1.00 0.00 H new ATOM 363 N CYS A 49 7.683 1.438 -4.191 1.00 0.00 N ATOM 364 CA CYS A 49 7.074 0.681 -3.066 1.00 0.00 C ATOM 365 C CYS A 49 7.304 1.303 -1.650 1.00 0.00 C ATOM 366 O CYS A 49 8.226 2.092 -1.404 1.00 0.00 O ATOM 367 CB CYS A 49 7.700 -0.727 -3.168 1.00 0.00 C ATOM 368 SG CYS A 49 9.509 -0.647 -3.092 1.00 0.00 S ATOM 0 H CYS A 49 8.644 1.723 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 49 5.988 0.686 -3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.327 -1.353 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.393 -1.198 -4.102 1.00 0.00 H new ATOM 369 N SER A 50 6.454 0.889 -0.690 1.00 0.00 N ATOM 370 CA SER A 50 6.561 1.314 0.733 1.00 0.00 C ATOM 371 C SER A 50 7.668 0.489 1.443 1.00 0.00 C ATOM 372 O SER A 50 7.479 -0.674 1.813 1.00 0.00 O ATOM 373 CB SER A 50 5.193 1.150 1.434 1.00 0.00 C ATOM 374 OG SER A 50 4.249 2.111 0.969 1.00 0.00 O ATOM 0 H SER A 50 5.676 0.254 -0.870 1.00 0.00 H new ATOM 0 HA SER A 50 6.839 2.367 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.809 0.146 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.320 1.255 2.511 1.00 0.00 H new ATOM 0 HG SER A 50 3.799 1.767 0.170 1.00 0.00 H new ATOM 375 N ALA A 51 8.835 1.122 1.615 1.00 0.00 N ATOM 376 CA ALA A 51 10.026 0.435 2.163 1.00 0.00 C ATOM 377 C ALA A 51 10.025 0.202 3.717 1.00 0.00 C ATOM 378 O ALA A 51 10.320 -0.897 4.189 1.00 0.00 O ATOM 379 CB ALA A 51 11.215 1.300 1.697 1.00 0.00 C ATOM 0 H ALA A 51 8.986 2.104 1.386 1.00 0.00 H new ATOM 0 HA ALA A 51 10.066 -0.590 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.146 0.864 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.232 1.339 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.108 2.309 2.094 1.00 0.00 H new ATOM 380 N PHE A 52 9.701 1.243 4.496 1.00 0.00 N ATOM 381 CA PHE A 52 9.541 1.175 5.970 1.00 0.00 C ATOM 382 C PHE A 52 8.007 1.159 6.292 1.00 0.00 C ATOM 383 O PHE A 52 7.322 2.181 6.165 1.00 0.00 O ATOM 384 CB PHE A 52 10.340 2.366 6.596 1.00 0.00 C ATOM 385 CG PHE A 52 9.771 3.793 6.418 1.00 0.00 C ATOM 386 CD1 PHE A 52 9.780 4.411 5.161 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.082 4.401 7.473 1.00 0.00 C ATOM 388 CE1 PHE A 52 9.098 5.604 4.960 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.424 5.612 7.276 1.00 0.00 C ATOM 390 CZ PHE A 52 8.435 6.213 6.020 1.00 0.00 C ATOM 0 H PHE A 52 9.538 2.177 4.120 1.00 0.00 H new ATOM 0 HA PHE A 52 9.952 0.267 6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.439 2.177 7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.345 2.352 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.320 3.957 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.060 3.929 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.083 6.059 3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.905 6.085 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.927 7.154 5.869 1.00 0.00 H new ATOM 391 N THR A 53 7.433 0.007 6.667 1.00 0.00 N ATOM 392 CA THR A 53 5.956 -0.080 6.869 1.00 0.00 C ATOM 393 C THR A 53 5.520 0.037 8.350 1.00 0.00 C ATOM 394 O THR A 53 6.010 -0.637 9.261 1.00 0.00 O ATOM 395 CB THR A 53 5.314 -1.378 6.311 1.00 0.00 C ATOM 396 OG1 THR A 53 5.972 -2.545 6.799 1.00 0.00 O ATOM 397 CG2 THR A 53 5.357 -1.402 4.787 1.00 0.00 C ATOM 0 H THR A 53 7.940 -0.862 6.836 1.00 0.00 H new ATOM 0 HA THR A 53 5.596 0.780 6.304 1.00 0.00 H new ATOM 0 HB THR A 53 4.279 -1.381 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.540 -3.343 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.900 -2.323 4.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.809 -0.546 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.393 -1.354 4.451 1.00 0.00 H new ATOM 398 N LEU A 54 4.494 0.864 8.513 1.00 0.00 N ATOM 399 CA LEU A 54 3.771 1.048 9.789 1.00 0.00 C ATOM 400 C LEU A 54 2.455 0.178 9.762 1.00 0.00 C ATOM 401 O LEU A 54 2.206 -0.610 8.837 1.00 0.00 O ATOM 402 CB LEU A 54 3.601 2.599 9.944 1.00 0.00 C ATOM 403 CG LEU A 54 2.390 3.318 9.275 1.00 0.00 C ATOM 404 CD1 LEU A 54 2.420 4.810 9.621 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.323 3.141 7.749 1.00 0.00 C ATOM 0 H LEU A 54 4.126 1.440 7.756 1.00 0.00 H new ATOM 0 HA LEU A 54 4.288 0.691 10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.558 2.816 11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.508 3.065 9.560 1.00 0.00 H new ATOM 0 HG LEU A 54 1.494 2.845 9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.572 5.309 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.361 4.934 10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.348 5.250 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.454 3.670 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.228 3.546 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.240 2.081 7.509 1.00 0.00 H new ATOM 406 N TYR A 55 1.570 0.356 10.753 1.00 0.00 N ATOM 407 CA TYR A 55 0.233 -0.327 10.744 1.00 0.00 C ATOM 408 C TYR A 55 -0.833 0.688 10.240 1.00 0.00 C ATOM 409 O TYR A 55 -1.790 1.064 10.920 1.00 0.00 O ATOM 410 CB TYR A 55 -0.019 -0.977 12.138 1.00 0.00 C ATOM 411 CG TYR A 55 0.726 -2.318 12.226 1.00 0.00 C ATOM 412 CD1 TYR A 55 0.164 -3.438 11.606 1.00 0.00 C ATOM 413 CD2 TYR A 55 2.077 -2.333 12.584 1.00 0.00 C ATOM 414 CE1 TYR A 55 0.962 -4.528 11.278 1.00 0.00 C ATOM 415 CE2 TYR A 55 2.875 -3.422 12.250 1.00 0.00 C ATOM 416 CZ TYR A 55 2.317 -4.522 11.600 1.00 0.00 C ATOM 417 OH TYR A 55 3.110 -5.569 11.215 1.00 0.00 O ATOM 0 H TYR A 55 1.734 0.952 11.564 1.00 0.00 H new ATOM 0 HA TYR A 55 0.180 -1.163 10.046 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.321 -0.308 12.929 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.087 -1.133 12.290 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.892 -3.456 11.381 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.502 -1.498 13.121 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.531 -5.380 10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.927 -3.416 12.494 1.00 0.00 H new ATOM 0 HH TYR A 55 4.029 -5.411 11.516 1.00 0.00 H new ATOM 418 N GLY A 56 -0.623 1.112 8.987 1.00 0.00 N ATOM 419 CA GLY A 56 -1.439 2.173 8.367 1.00 0.00 C ATOM 420 C GLY A 56 -1.213 2.338 6.860 1.00 0.00 C ATOM 421 O GLY A 56 -0.598 1.524 6.170 1.00 0.00 O ATOM 0 H GLY A 56 0.106 0.738 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.492 1.956 8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.221 3.120 8.862 1.00 0.00 H new ATOM 422 N VAL A 57 -1.763 3.431 6.358 1.00 0.00 N ATOM 423 CA VAL A 57 -1.994 3.616 4.892 1.00 0.00 C ATOM 424 C VAL A 57 -0.692 4.024 4.124 1.00 0.00 C ATOM 425 O VAL A 57 0.202 4.714 4.626 1.00 0.00 O ATOM 426 CB VAL A 57 -3.171 4.622 4.664 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.728 4.583 3.229 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.417 4.308 5.506 1.00 0.00 C ATOM 0 H VAL A 57 -2.067 4.220 6.928 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.283 2.654 4.468 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.711 5.575 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.541 5.303 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.936 4.836 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.102 3.583 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.192 5.045 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.785 3.313 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.159 4.342 6.564 1.00 0.00 H new ATOM 429 N TYR A 58 -0.626 3.566 2.873 1.00 0.00 N ATOM 430 CA TYR A 58 0.562 3.695 2.008 1.00 0.00 C ATOM 431 C TYR A 58 0.310 4.555 0.737 1.00 0.00 C ATOM 432 O TYR A 58 -0.699 4.412 0.044 1.00 0.00 O ATOM 433 CB TYR A 58 0.919 2.239 1.586 1.00 0.00 C ATOM 434 CG TYR A 58 1.218 1.191 2.684 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.006 1.492 3.802 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.617 -0.066 2.589 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.205 0.537 4.797 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.850 -1.033 3.565 1.00 0.00 C ATOM 439 CZ TYR A 58 1.625 -0.723 4.679 1.00 0.00 C ATOM 440 OH TYR A 58 1.745 -1.639 5.690 1.00 0.00 O ATOM 0 H TYR A 58 -1.404 3.087 2.420 1.00 0.00 H new ATOM 0 HA TYR A 58 1.360 4.202 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.093 1.859 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.791 2.290 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.461 2.467 3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.032 -0.290 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.809 0.774 5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.430 -2.022 3.457 1.00 0.00 H new ATOM 0 HH TYR A 58 1.878 -1.171 6.541 1.00 0.00 H new ATOM 441 N TYR A 59 1.275 5.410 0.388 1.00 0.00 N ATOM 442 CA TYR A 59 1.250 6.190 -0.894 1.00 0.00 C ATOM 443 C TYR A 59 1.436 5.269 -2.176 1.00 0.00 C ATOM 444 O TYR A 59 0.871 5.536 -3.236 1.00 0.00 O ATOM 445 CB TYR A 59 2.357 7.292 -0.829 1.00 0.00 C ATOM 446 CG TYR A 59 2.320 8.334 0.305 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.799 7.998 1.578 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.852 9.630 0.076 1.00 0.00 C ATOM 449 CE1 TYR A 59 2.748 8.921 2.615 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.835 10.560 1.112 1.00 0.00 C ATOM 451 CZ TYR A 59 2.268 10.203 2.384 1.00 0.00 C ATOM 452 OH TYR A 59 2.191 11.104 3.412 1.00 0.00 O ATOM 0 H TYR A 59 2.095 5.594 0.965 1.00 0.00 H new ATOM 0 HA TYR A 59 0.267 6.650 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.321 6.785 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.334 7.835 -1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.211 7.015 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.503 9.911 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.082 8.641 3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.484 11.564 0.927 1.00 0.00 H new ATOM 0 HH TYR A 59 2.284 12.013 3.058 1.00 0.00 H new ATOM 453 N LYS A 60 2.224 4.186 -2.045 1.00 0.00 N ATOM 454 CA LYS A 60 2.510 3.168 -3.075 1.00 0.00 C ATOM 455 C LYS A 60 2.804 1.849 -2.283 1.00 0.00 C ATOM 456 O LYS A 60 3.796 1.753 -1.561 1.00 0.00 O ATOM 457 CB LYS A 60 3.668 3.629 -4.011 1.00 0.00 C ATOM 458 CG LYS A 60 5.094 3.957 -3.490 1.00 0.00 C ATOM 459 CD LYS A 60 5.281 5.031 -2.390 1.00 0.00 C ATOM 460 CE LYS A 60 5.646 4.427 -1.017 1.00 0.00 C ATOM 461 NZ LYS A 60 4.990 5.086 0.125 1.00 0.00 N ATOM 0 H LYS A 60 2.706 3.986 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 60 1.676 3.006 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.785 2.851 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.313 4.522 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.525 3.029 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.692 4.263 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.064 5.725 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.362 5.610 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.379 3.370 -1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.726 4.483 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.337 4.669 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.208 6.103 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.961 4.952 0.059 1.00 0.00 H new ATOM 462 N CYS A 61 1.921 0.844 -2.326 1.00 0.00 N ATOM 463 CA CYS A 61 2.066 -0.402 -1.509 1.00 0.00 C ATOM 464 C CYS A 61 3.439 -1.204 -1.572 1.00 0.00 C ATOM 465 O CYS A 61 4.172 -1.072 -2.557 1.00 0.00 O ATOM 466 CB CYS A 61 0.907 -1.301 -1.970 1.00 0.00 C ATOM 467 SG CYS A 61 -0.655 -0.712 -1.311 1.00 0.00 S ATOM 0 H CYS A 61 1.089 0.855 -2.916 1.00 0.00 H new ATOM 0 HA CYS A 61 2.052 -0.099 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.865 -1.318 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.082 -2.326 -1.642 1.00 0.00 H new ATOM 468 N PRO A 62 3.826 -2.045 -0.554 1.00 0.00 N ATOM 469 CA PRO A 62 5.068 -2.881 -0.603 1.00 0.00 C ATOM 470 C PRO A 62 5.267 -3.832 -1.831 1.00 0.00 C ATOM 471 O PRO A 62 4.338 -4.092 -2.598 1.00 0.00 O ATOM 472 CB PRO A 62 4.957 -3.690 0.709 1.00 0.00 C ATOM 473 CG PRO A 62 4.122 -2.826 1.644 1.00 0.00 C ATOM 474 CD PRO A 62 3.095 -2.179 0.725 1.00 0.00 C ATOM 0 HA PRO A 62 5.940 -2.236 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.482 -4.656 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.941 -3.890 1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.644 -3.424 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.733 -2.078 2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.204 -2.798 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.767 -1.211 1.105 1.00 0.00 H new ATOM 475 N CYS A 63 6.484 -4.370 -1.999 1.00 0.00 N ATOM 476 CA CYS A 63 6.796 -5.333 -3.090 1.00 0.00 C ATOM 477 C CYS A 63 6.164 -6.764 -2.916 1.00 0.00 C ATOM 478 O CYS A 63 5.750 -7.180 -1.829 1.00 0.00 O ATOM 479 CB CYS A 63 8.341 -5.392 -3.141 1.00 0.00 C ATOM 480 SG CYS A 63 9.057 -3.767 -3.445 1.00 0.00 S ATOM 0 H CYS A 63 7.278 -4.159 -1.395 1.00 0.00 H new ATOM 0 HA CYS A 63 6.350 -4.988 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.722 -5.788 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.654 -6.081 -3.926 1.00 0.00 H new ATOM 481 N GLU A 64 6.106 -7.526 -4.021 1.00 0.00 N ATOM 482 CA GLU A 64 5.601 -8.928 -4.033 1.00 0.00 C ATOM 483 C GLU A 64 6.423 -9.956 -3.166 1.00 0.00 C ATOM 484 O GLU A 64 7.583 -9.720 -2.816 1.00 0.00 O ATOM 485 CB GLU A 64 5.491 -9.319 -5.539 1.00 0.00 C ATOM 486 CG GLU A 64 6.824 -9.538 -6.313 1.00 0.00 C ATOM 487 CD GLU A 64 6.687 -9.772 -7.813 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.998 -10.909 -8.102 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.163 -9.031 -8.668 1.00 0.00 O ATOM 0 H GLU A 64 6.406 -7.195 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 64 4.633 -8.974 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.905 -10.235 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.927 -8.539 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.461 -8.667 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.340 -10.393 -5.876 1.00 0.00 H new ATOM 490 N ARG A 65 5.822 -11.115 -2.823 1.00 0.00 N ATOM 491 CA ARG A 65 6.454 -12.126 -1.923 1.00 0.00 C ATOM 492 C ARG A 65 7.788 -12.716 -2.508 1.00 0.00 C ATOM 493 O ARG A 65 7.821 -13.361 -3.559 1.00 0.00 O ATOM 494 CB ARG A 65 5.398 -13.217 -1.615 1.00 0.00 C ATOM 495 CG ARG A 65 5.789 -14.140 -0.434 1.00 0.00 C ATOM 496 CD ARG A 65 4.683 -15.149 -0.110 1.00 0.00 C ATOM 497 NE ARG A 65 5.085 -15.987 1.048 1.00 0.00 N ATOM 498 CZ ARG A 65 4.329 -16.924 1.609 1.00 0.00 C ATOM 499 NH1 ARG A 65 3.122 -17.233 1.209 1.00 0.00 N ATOM 500 NH2 ARG A 65 4.818 -17.575 2.618 1.00 0.00 N ATOM 0 H ARG A 65 4.895 -11.383 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 65 6.760 -11.644 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.446 -12.737 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.245 -13.826 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.708 -14.674 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.997 -13.534 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.755 -14.624 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.490 -15.781 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 65 6.013 -15.831 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.705 -16.742 0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.598 -17.965 1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.756 -17.361 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.265 -18.301 3.073 1.00 0.00 H new ATOM 501 N GLY A 66 8.879 -12.455 -1.781 1.00 0.00 N ATOM 502 CA GLY A 66 10.266 -12.784 -2.240 1.00 0.00 C ATOM 503 C GLY A 66 11.130 -11.608 -2.790 1.00 0.00 C ATOM 504 O GLY A 66 12.356 -11.717 -2.820 1.00 0.00 O ATOM 0 H GLY A 66 8.845 -12.013 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.801 -13.235 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.193 -13.543 -3.019 1.00 0.00 H new ATOM 505 N LEU A 67 10.506 -10.507 -3.233 1.00 0.00 N ATOM 506 CA LEU A 67 11.189 -9.315 -3.800 1.00 0.00 C ATOM 507 C LEU A 67 11.319 -8.164 -2.737 1.00 0.00 C ATOM 508 O LEU A 67 10.399 -7.924 -1.948 1.00 0.00 O ATOM 509 CB LEU A 67 10.324 -8.910 -5.030 1.00 0.00 C ATOM 510 CG LEU A 67 11.065 -8.115 -6.128 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.926 -9.034 -7.007 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.064 -7.404 -7.038 1.00 0.00 C ATOM 0 H LEU A 67 9.491 -10.409 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 67 12.217 -9.525 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.911 -9.815 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.481 -8.314 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 67 11.704 -7.394 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.432 -8.440 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.668 -9.539 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.290 -9.776 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.602 -6.848 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.415 -8.141 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.461 -6.715 -6.447 1.00 0.00 H new ATOM 513 N THR A 68 12.449 -7.434 -2.708 1.00 0.00 N ATOM 514 CA THR A 68 12.718 -6.400 -1.661 1.00 0.00 C ATOM 515 C THR A 68 12.420 -4.937 -2.123 1.00 0.00 C ATOM 516 O THR A 68 12.566 -4.580 -3.292 1.00 0.00 O ATOM 517 CB THR A 68 14.204 -6.565 -1.181 1.00 0.00 C ATOM 518 OG1 THR A 68 14.250 -6.393 0.229 1.00 0.00 O ATOM 519 CG2 THR A 68 15.241 -5.575 -1.734 1.00 0.00 C ATOM 0 H THR A 68 13.198 -7.532 -3.393 1.00 0.00 H new ATOM 0 HA THR A 68 12.028 -6.568 -0.834 1.00 0.00 H new ATOM 0 HB THR A 68 14.476 -7.553 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.173 -6.496 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.222 -5.806 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.278 -5.656 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.959 -4.560 -1.455 1.00 0.00 H new ATOM 520 N CYS A 69 12.063 -4.087 -1.160 1.00 0.00 N ATOM 521 CA CYS A 69 11.895 -2.628 -1.394 1.00 0.00 C ATOM 522 C CYS A 69 13.208 -1.856 -1.015 1.00 0.00 C ATOM 523 O CYS A 69 13.438 -1.584 0.167 1.00 0.00 O ATOM 524 CB CYS A 69 10.639 -2.180 -0.625 1.00 0.00 C ATOM 525 SG CYS A 69 10.155 -0.540 -1.198 1.00 0.00 S ATOM 0 H CYS A 69 11.880 -4.374 -0.198 1.00 0.00 H new ATOM 0 HA CYS A 69 11.738 -2.396 -2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.827 -2.889 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.840 -2.161 0.446 1.00 0.00 H new ATOM 526 N GLU A 70 14.073 -1.496 -1.978 1.00 0.00 N ATOM 527 CA GLU A 70 15.345 -0.763 -1.684 1.00 0.00 C ATOM 528 C GLU A 70 15.152 0.776 -1.907 1.00 0.00 C ATOM 529 O GLU A 70 14.852 1.233 -3.015 1.00 0.00 O ATOM 530 CB GLU A 70 16.515 -1.385 -2.499 1.00 0.00 C ATOM 531 CG GLU A 70 16.407 -1.428 -4.047 1.00 0.00 C ATOM 532 CD GLU A 70 17.642 -1.996 -4.743 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.075 -3.128 -4.554 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.195 -1.117 -5.619 1.00 0.00 O ATOM 0 H GLU A 70 13.928 -1.694 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 70 15.614 -0.876 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.422 -0.836 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.654 -2.408 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.540 -2.027 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.227 -0.418 -4.416 1.00 0.00 H new ATOM 625 N PHE A 84 10.742 7.088 0.078 1.00 0.00 N ATOM 626 CA PHE A 84 10.342 5.974 -0.836 1.00 0.00 C ATOM 627 C PHE A 84 11.513 5.130 -1.455 1.00 0.00 C ATOM 628 O PHE A 84 12.693 5.497 -1.422 1.00 0.00 O ATOM 629 CB PHE A 84 9.402 6.616 -1.917 1.00 0.00 C ATOM 630 CG PHE A 84 8.162 7.464 -1.497 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.493 7.264 -0.282 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.704 8.470 -2.357 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.402 8.053 0.068 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.615 9.266 -2.001 1.00 0.00 C ATOM 635 CZ PHE A 84 5.970 9.061 -0.784 1.00 0.00 C ATOM 0 HA PHE A 84 9.829 5.210 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.025 7.251 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.036 5.804 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.828 6.488 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.198 8.631 -3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.890 7.881 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.272 10.042 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.135 9.685 -0.503 1.00 0.00 H new ATOM 636 N GLY A 85 11.159 3.952 -2.003 1.00 0.00 N ATOM 637 CA GLY A 85 12.125 3.041 -2.681 1.00 0.00 C ATOM 638 C GLY A 85 11.571 2.241 -3.875 1.00 0.00 C ATOM 639 O GLY A 85 10.380 2.281 -4.168 1.00 0.00 O ATOM 0 H GLY A 85 10.202 3.599 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.972 3.634 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.509 2.336 -1.943 1.00 0.00 H new ATOM 640 N ILE A 86 12.447 1.505 -4.565 1.00 0.00 N ATOM 641 CA ILE A 86 12.084 0.708 -5.781 1.00 0.00 C ATOM 642 C ILE A 86 12.181 -0.830 -5.461 1.00 0.00 C ATOM 643 O ILE A 86 13.085 -1.301 -4.762 1.00 0.00 O ATOM 644 CB ILE A 86 13.003 1.126 -6.994 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.987 2.643 -7.365 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.654 0.341 -8.287 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.672 3.204 -7.943 1.00 0.00 C ATOM 0 H ILE A 86 13.432 1.433 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 86 11.053 0.918 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 86 13.999 0.881 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.236 3.214 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.781 2.824 -8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.311 0.661 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.788 -0.727 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.618 0.537 -8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.793 4.266 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.423 2.674 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.869 3.070 -7.218 1.00 0.00 H new ATOM 648 N CYS A 87 11.265 -1.627 -6.030 1.00 0.00 N ATOM 649 CA CYS A 87 11.279 -3.107 -5.921 1.00 0.00 C ATOM 650 C CYS A 87 12.422 -3.822 -6.724 1.00 0.00 C ATOM 651 O CYS A 87 12.494 -3.689 -7.950 1.00 0.00 O ATOM 652 CB CYS A 87 9.902 -3.539 -6.442 1.00 0.00 C ATOM 653 SG CYS A 87 8.593 -3.119 -5.283 1.00 0.00 S ATOM 0 H CYS A 87 10.487 -1.269 -6.583 1.00 0.00 H new ATOM 0 HA CYS A 87 11.478 -3.397 -4.889 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.708 -3.058 -7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.901 -4.615 -6.619 1.00 0.00 H new ATOM 654 N HIS A 88 13.307 -4.586 -6.057 1.00 0.00 N ATOM 655 CA HIS A 88 14.398 -5.344 -6.727 1.00 0.00 C ATOM 656 C HIS A 88 14.630 -6.740 -6.058 1.00 0.00 C ATOM 657 O HIS A 88 14.272 -7.009 -4.909 1.00 0.00 O ATOM 658 CB HIS A 88 15.688 -4.491 -6.708 1.00 0.00 C ATOM 659 CG HIS A 88 15.757 -3.374 -7.749 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.142 -3.595 -9.063 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.367 -2.040 -7.563 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.950 -2.330 -9.562 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.527 -1.328 -8.737 1.00 0.00 N ATOM 0 H HIS A 88 13.293 -4.700 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 88 14.109 -5.540 -7.760 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.794 -4.048 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.542 -5.153 -6.854 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.995 -1.628 -6.636 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.134 -2.128 -10.607 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.373 -0.339 -8.931 1.00 0.00 H new ATOM 664 N ASN A 89 15.288 -7.637 -6.801 1.00 0.00 N ATOM 665 CA ASN A 89 15.567 -9.024 -6.346 1.00 0.00 C ATOM 666 C ASN A 89 17.015 -9.136 -5.768 1.00 0.00 C ATOM 667 O ASN A 89 18.012 -9.211 -6.493 1.00 0.00 O ATOM 668 CB ASN A 89 15.339 -9.910 -7.584 1.00 0.00 C ATOM 669 CG ASN A 89 15.248 -11.407 -7.308 1.00 0.00 C ATOM 670 OD1 ASN A 89 14.201 -11.936 -6.967 1.00 0.00 O ATOM 671 ND2 ASN A 89 16.323 -12.139 -7.439 1.00 0.00 N ATOM 0 H ASN A 89 15.646 -7.433 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 89 14.916 -9.339 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.419 -9.591 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.152 -9.736 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.282 -13.142 -7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.202 -11.707 -7.723 1.00 0.00 H new ATOM 672 N VAL A 90 17.089 -9.157 -4.441 1.00 0.00 N ATOM 673 CA VAL A 90 18.379 -9.153 -3.679 1.00 0.00 C ATOM 674 C VAL A 90 18.390 -10.385 -2.704 1.00 0.00 C ATOM 675 O VAL A 90 18.261 -10.262 -1.483 1.00 0.00 O ATOM 676 CB VAL A 90 18.579 -7.772 -2.954 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.946 -7.655 -2.236 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.470 -6.518 -3.859 1.00 0.00 C ATOM 0 H VAL A 90 16.264 -9.178 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 90 19.231 -9.260 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 90 17.748 -7.780 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.022 -6.680 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.029 -8.438 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.750 -7.765 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.624 -5.621 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.229 -6.566 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.481 -6.484 -4.315 1.00 0.00 H new