USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 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 Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.8!) USER MOD Single : A 20 SER OG : rot 82:sc= 1.87 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0.419 (180deg=0.336) USER MOD Single : A 25 SER OG : rot -120:sc= 1.23 USER MOD Single : A 26 ASN : amide:sc= -0.0019 X(o=-0.0019,f=-0.058) USER MOD Single : A 29 GLN : amide:sc= 0.0668 X(o=0.067,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=-0.069) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.021 USER MOD Single : A 37 SER OG : rot 14:sc= 0.391 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=-0.00043) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 86:sc= 1.2 USER MOD Single : A 53 THR OG1 : rot 16:sc= 1.08 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 2:sc= 1.21 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= 0.157 (180deg=0.00581) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -9.974 -9.901 5.070 1.00 0.00 N ATOM 70 CA ASN A 10 -10.024 -10.486 3.684 1.00 0.00 C ATOM 71 C ASN A 10 -11.163 -9.824 2.825 1.00 0.00 C ATOM 72 O ASN A 10 -12.298 -10.301 2.751 1.00 0.00 O ATOM 73 CB ASN A 10 -10.070 -12.042 3.557 1.00 0.00 C ATOM 74 CG ASN A 10 -8.806 -12.755 4.024 1.00 0.00 C ATOM 75 OD1 ASN A 10 -7.792 -12.783 3.340 1.00 0.00 O ATOM 76 ND2 ASN A 10 -8.818 -13.346 5.188 1.00 0.00 N ATOM 0 HA ASN A 10 -9.042 -10.232 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.916 -12.416 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.255 -12.303 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.984 -13.828 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.661 -13.325 5.762 1.00 0.00 H new ATOM 77 N LEU A 11 -10.821 -8.724 2.132 1.00 0.00 N ATOM 78 CA LEU A 11 -11.709 -8.029 1.160 1.00 0.00 C ATOM 79 C LEU A 11 -10.901 -7.507 -0.090 1.00 0.00 C ATOM 80 O LEU A 11 -9.666 -7.451 -0.107 1.00 0.00 O ATOM 81 CB LEU A 11 -12.610 -6.981 1.883 1.00 0.00 C ATOM 82 CG LEU A 11 -11.991 -5.673 2.445 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.037 -4.547 2.491 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.462 -5.853 3.876 1.00 0.00 C ATOM 0 H LEU A 11 -9.908 -8.279 2.227 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.414 -8.740 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.395 -6.692 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.096 -7.492 2.714 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.170 -5.419 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.579 -3.641 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.409 -4.354 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.866 -4.846 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.038 -4.913 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.280 -6.150 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.692 -6.624 3.885 1.00 0.00 H new ATOM 85 N ASP A 12 -11.611 -7.158 -1.174 1.00 0.00 N ATOM 86 CA ASP A 12 -10.989 -6.786 -2.480 1.00 0.00 C ATOM 87 C ASP A 12 -10.437 -5.321 -2.595 1.00 0.00 C ATOM 88 O ASP A 12 -10.736 -4.433 -1.790 1.00 0.00 O ATOM 89 CB ASP A 12 -12.080 -7.050 -3.561 1.00 0.00 C ATOM 90 CG ASP A 12 -12.472 -8.512 -3.788 1.00 0.00 C ATOM 91 OD1 ASP A 12 -11.663 -9.434 -3.813 1.00 0.00 O ATOM 92 OD2 ASP A 12 -13.816 -8.664 -3.962 1.00 0.00 O ATOM 0 H ASP A 12 -12.630 -7.122 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.091 -7.391 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.976 -6.495 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.730 -6.639 -4.508 1.00 0.00 H new ATOM 93 N GLU A 13 -9.650 -5.074 -3.661 1.00 0.00 N ATOM 94 CA GLU A 13 -9.122 -3.719 -3.997 1.00 0.00 C ATOM 95 C GLU A 13 -10.273 -2.802 -4.537 1.00 0.00 C ATOM 96 O GLU A 13 -11.142 -3.237 -5.301 1.00 0.00 O ATOM 97 CB GLU A 13 -7.921 -3.802 -4.985 1.00 0.00 C ATOM 98 CG GLU A 13 -6.717 -4.678 -4.554 1.00 0.00 C ATOM 99 CD GLU A 13 -6.815 -6.164 -4.907 1.00 0.00 C ATOM 100 OE1 GLU A 13 -6.590 -6.613 -6.024 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.185 -6.937 -3.851 1.00 0.00 O ATOM 0 H GLU A 13 -9.358 -5.799 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.738 -3.263 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.291 -4.180 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.558 -2.790 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.815 -4.274 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.594 -4.588 -3.475 1.00 0.00 H new ATOM 102 N GLY A 14 -10.282 -1.532 -4.114 1.00 0.00 N ATOM 103 CA GLY A 14 -11.412 -0.600 -4.411 1.00 0.00 C ATOM 104 C GLY A 14 -12.537 -0.517 -3.336 1.00 0.00 C ATOM 105 O GLY A 14 -13.535 0.165 -3.564 1.00 0.00 O ATOM 0 H GLY A 14 -9.530 -1.114 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.002 0.400 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.863 -0.900 -5.357 1.00 0.00 H new ATOM 106 N GLU A 15 -12.379 -1.176 -2.175 1.00 0.00 N ATOM 107 CA GLU A 15 -13.312 -1.091 -1.020 1.00 0.00 C ATOM 108 C GLU A 15 -12.641 -0.295 0.151 1.00 0.00 C ATOM 109 O GLU A 15 -11.434 -0.417 0.390 1.00 0.00 O ATOM 110 CB GLU A 15 -13.689 -2.530 -0.573 1.00 0.00 C ATOM 111 CG GLU A 15 -14.509 -3.377 -1.585 1.00 0.00 C ATOM 112 CD GLU A 15 -15.177 -4.606 -0.969 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.167 -4.550 -0.252 1.00 0.00 O ATOM 114 OE2 GLU A 15 -14.569 -5.776 -1.305 1.00 0.00 O ATOM 0 H GLU A 15 -11.588 -1.796 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.219 -0.560 -1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.769 -3.068 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.258 -2.461 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.276 -2.746 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.850 -3.700 -2.391 1.00 0.00 H new ATOM 115 N LEU A 16 -13.429 0.494 0.902 1.00 0.00 N ATOM 116 CA LEU A 16 -12.898 1.392 1.974 1.00 0.00 C ATOM 117 C LEU A 16 -12.296 0.611 3.201 1.00 0.00 C ATOM 118 O LEU A 16 -12.993 -0.110 3.921 1.00 0.00 O ATOM 119 CB LEU A 16 -14.039 2.376 2.385 1.00 0.00 C ATOM 120 CG LEU A 16 -13.602 3.787 2.872 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.831 4.705 2.989 1.00 0.00 C ATOM 122 CD2 LEU A 16 -12.874 3.784 4.227 1.00 0.00 C ATOM 0 H LEU A 16 -14.442 0.537 0.795 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.051 1.954 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.704 2.502 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.623 1.908 3.178 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.897 4.150 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.517 5.691 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.312 4.794 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.535 4.281 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.602 4.805 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.531 3.369 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.972 3.176 4.154 1.00 0.00 H new ATOM 123 N CYS A 17 -10.981 0.766 3.408 1.00 0.00 N ATOM 124 CA CYS A 17 -10.227 0.128 4.514 1.00 0.00 C ATOM 125 C CYS A 17 -9.731 1.145 5.589 1.00 0.00 C ATOM 126 O CYS A 17 -9.457 2.317 5.308 1.00 0.00 O ATOM 127 CB CYS A 17 -9.027 -0.584 3.847 1.00 0.00 C ATOM 128 SG CYS A 17 -8.108 0.536 2.754 1.00 0.00 S ATOM 0 H CYS A 17 -10.396 1.346 2.807 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.876 -0.561 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.359 -0.971 4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.384 -1.440 3.275 1.00 0.00 H new ATOM 129 N LEU A 18 -9.563 0.664 6.834 1.00 0.00 N ATOM 130 CA LEU A 18 -8.975 1.480 7.933 1.00 0.00 C ATOM 131 C LEU A 18 -7.413 1.379 7.839 1.00 0.00 C ATOM 132 O LEU A 18 -6.765 2.337 7.429 1.00 0.00 O ATOM 133 CB LEU A 18 -9.596 1.028 9.293 1.00 0.00 C ATOM 134 CG LEU A 18 -11.109 1.289 9.517 1.00 0.00 C ATOM 135 CD1 LEU A 18 -11.575 0.596 10.808 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.447 2.787 9.602 1.00 0.00 C ATOM 0 H LEU A 18 -9.823 -0.282 7.112 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.215 2.540 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.420 -0.042 9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.048 1.525 10.094 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.630 0.880 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.638 0.784 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.404 -0.477 10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.014 0.990 11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.519 2.910 9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.904 3.236 10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.158 3.279 8.673 1.00 0.00 H new ATOM 137 N ASN A 19 -6.806 0.280 8.309 1.00 0.00 N ATOM 138 CA ASN A 19 -5.346 -0.007 8.140 1.00 0.00 C ATOM 139 C ASN A 19 -5.035 -0.942 6.907 1.00 0.00 C ATOM 140 O ASN A 19 -5.947 -1.444 6.242 1.00 0.00 O ATOM 141 CB ASN A 19 -4.837 -0.511 9.529 1.00 0.00 C ATOM 142 CG ASN A 19 -5.422 -1.820 10.065 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.127 -2.897 9.571 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.276 -1.786 11.053 1.00 0.00 N ATOM 0 H ASN A 19 -7.303 -0.448 8.822 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.786 0.888 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.755 -0.626 9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.034 0.271 10.263 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.687 -2.652 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.532 -0.894 11.475 1.00 0.00 H new ATOM 145 N SER A 20 -3.747 -1.234 6.629 1.00 0.00 N ATOM 146 CA SER A 20 -3.362 -2.204 5.546 1.00 0.00 C ATOM 147 C SER A 20 -3.516 -3.721 5.883 1.00 0.00 C ATOM 148 O SER A 20 -3.628 -4.525 4.957 1.00 0.00 O ATOM 149 CB SER A 20 -1.923 -1.900 5.086 1.00 0.00 C ATOM 150 OG SER A 20 -1.908 -0.713 4.298 1.00 0.00 O ATOM 0 H SER A 20 -2.955 -0.825 7.124 1.00 0.00 H new ATOM 0 HA SER A 20 -4.087 -2.042 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.272 -1.780 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.532 -2.737 4.507 1.00 0.00 H new ATOM 0 HG SER A 20 -1.899 0.070 4.887 1.00 0.00 H new ATOM 151 N ALA A 21 -3.589 -4.127 7.160 1.00 0.00 N ATOM 152 CA ALA A 21 -3.868 -5.544 7.543 1.00 0.00 C ATOM 153 C ALA A 21 -5.370 -6.026 7.433 1.00 0.00 C ATOM 154 O ALA A 21 -5.746 -7.062 7.981 1.00 0.00 O ATOM 155 CB ALA A 21 -3.355 -5.616 8.991 1.00 0.00 C ATOM 0 H ALA A 21 -3.460 -3.502 7.956 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.380 -6.222 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.509 -6.622 9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.292 -5.377 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.900 -4.900 9.606 1.00 0.00 H new ATOM 156 N GLN A 22 -6.202 -5.291 6.685 1.00 0.00 N ATOM 157 CA GLN A 22 -7.654 -5.553 6.513 1.00 0.00 C ATOM 158 C GLN A 22 -8.011 -6.354 5.211 1.00 0.00 C ATOM 159 O GLN A 22 -8.795 -7.300 5.280 1.00 0.00 O ATOM 160 CB GLN A 22 -8.365 -4.163 6.528 1.00 0.00 C ATOM 161 CG GLN A 22 -8.221 -3.258 7.786 1.00 0.00 C ATOM 162 CD GLN A 22 -8.942 -3.681 9.064 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.951 -3.105 9.449 1.00 0.00 O ATOM 164 NE2 GLN A 22 -8.438 -4.646 9.788 1.00 0.00 N ATOM 0 H GLN A 22 -5.885 -4.473 6.165 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.994 -6.195 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.000 -3.597 5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.429 -4.335 6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.159 -3.173 8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.571 -2.260 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.597 -5.132 9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.885 -4.913 10.665 1.00 0.00 H new ATOM 165 N CYS A 23 -7.500 -5.961 4.033 1.00 0.00 N ATOM 166 CA CYS A 23 -7.814 -6.609 2.735 1.00 0.00 C ATOM 167 C CYS A 23 -7.016 -7.919 2.411 1.00 0.00 C ATOM 168 O CYS A 23 -6.049 -8.285 3.083 1.00 0.00 O ATOM 169 CB CYS A 23 -7.513 -5.512 1.702 1.00 0.00 C ATOM 170 SG CYS A 23 -8.699 -4.173 1.900 1.00 0.00 S ATOM 0 H CYS A 23 -6.851 -5.179 3.947 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.845 -6.963 2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.498 -5.138 1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.572 -5.920 0.693 1.00 0.00 H new ATOM 171 N LYS A 24 -7.431 -8.617 1.334 1.00 0.00 N ATOM 172 CA LYS A 24 -6.683 -9.787 0.765 1.00 0.00 C ATOM 173 C LYS A 24 -5.274 -9.304 0.252 1.00 0.00 C ATOM 174 O LYS A 24 -4.234 -9.818 0.668 1.00 0.00 O ATOM 175 CB LYS A 24 -7.554 -10.405 -0.363 1.00 0.00 C ATOM 176 CG LYS A 24 -8.825 -11.174 0.059 1.00 0.00 C ATOM 177 CD LYS A 24 -9.883 -11.315 -1.055 1.00 0.00 C ATOM 178 CE LYS A 24 -9.442 -12.189 -2.240 1.00 0.00 C ATOM 179 NZ LYS A 24 -10.522 -12.246 -3.243 1.00 0.00 N ATOM 0 H LYS A 24 -8.288 -8.397 0.827 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.499 -10.555 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.855 -9.601 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.926 -11.084 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.537 -12.169 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.277 -10.665 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.791 -11.737 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.137 -10.322 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.537 -11.780 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.201 -13.194 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.152 -12.645 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.294 -12.846 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.883 -11.287 -3.419 1.00 0.00 H new ATOM 180 N SER A 25 -5.254 -8.298 -0.651 1.00 0.00 N ATOM 181 CA SER A 25 -4.011 -7.588 -1.041 1.00 0.00 C ATOM 182 C SER A 25 -3.809 -6.520 0.088 1.00 0.00 C ATOM 183 O SER A 25 -4.480 -5.481 0.094 1.00 0.00 O ATOM 184 CB SER A 25 -4.190 -6.970 -2.446 1.00 0.00 C ATOM 185 OG SER A 25 -3.064 -6.172 -2.823 1.00 0.00 O ATOM 0 H SER A 25 -6.089 -7.957 -1.127 1.00 0.00 H new ATOM 0 HA SER A 25 -3.133 -8.230 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.333 -7.765 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.091 -6.357 -2.461 1.00 0.00 H new ATOM 0 HG SER A 25 -3.355 -5.250 -2.983 1.00 0.00 H new ATOM 186 N ASN A 26 -2.916 -6.804 1.050 1.00 0.00 N ATOM 187 CA ASN A 26 -2.706 -5.956 2.268 1.00 0.00 C ATOM 188 C ASN A 26 -1.966 -4.593 1.992 1.00 0.00 C ATOM 189 O ASN A 26 -0.820 -4.321 2.360 1.00 0.00 O ATOM 190 CB ASN A 26 -2.016 -6.859 3.338 1.00 0.00 C ATOM 191 CG ASN A 26 -0.671 -7.531 3.023 1.00 0.00 C ATOM 192 OD1 ASN A 26 -0.598 -8.694 2.650 1.00 0.00 O ATOM 193 ND2 ASN A 26 0.432 -6.847 3.168 1.00 0.00 N ATOM 0 H ASN A 26 -2.312 -7.625 1.019 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.668 -5.608 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.874 -6.252 4.232 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.720 -7.649 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.333 -7.284 2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.393 -5.876 3.478 1.00 0.00 H new ATOM 194 N CYS A 27 -2.737 -3.719 1.344 1.00 0.00 N ATOM 195 CA CYS A 27 -2.292 -2.412 0.824 1.00 0.00 C ATOM 196 C CYS A 27 -3.474 -1.397 0.886 1.00 0.00 C ATOM 197 O CYS A 27 -4.215 -1.225 -0.087 1.00 0.00 O ATOM 198 CB CYS A 27 -1.798 -2.722 -0.617 1.00 0.00 C ATOM 199 SG CYS A 27 -1.691 -1.270 -1.682 1.00 0.00 S ATOM 0 H CYS A 27 -3.723 -3.901 1.157 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.493 -1.944 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.816 -3.192 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.472 -3.446 -1.074 1.00 0.00 H new ATOM 200 N CYS A 28 -3.675 -0.716 2.028 1.00 0.00 N ATOM 201 CA CYS A 28 -4.688 0.366 2.141 1.00 0.00 C ATOM 202 C CYS A 28 -4.071 1.666 1.537 1.00 0.00 C ATOM 203 O CYS A 28 -3.023 2.156 1.964 1.00 0.00 O ATOM 204 CB CYS A 28 -5.132 0.495 3.607 1.00 0.00 C ATOM 205 SG CYS A 28 -6.634 1.485 3.728 1.00 0.00 S ATOM 0 H CYS A 28 -3.154 -0.890 2.888 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.595 0.148 1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.307 -0.495 4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.338 0.956 4.194 1.00 0.00 H new ATOM 206 N GLN A 29 -4.718 2.182 0.499 1.00 0.00 N ATOM 207 CA GLN A 29 -4.230 3.316 -0.313 1.00 0.00 C ATOM 208 C GLN A 29 -4.915 4.662 0.042 1.00 0.00 C ATOM 209 O GLN A 29 -6.119 4.836 -0.163 1.00 0.00 O ATOM 210 CB GLN A 29 -4.505 2.834 -1.770 1.00 0.00 C ATOM 211 CG GLN A 29 -4.131 3.726 -2.977 1.00 0.00 C ATOM 212 CD GLN A 29 -2.661 4.100 -3.047 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.792 3.387 -3.534 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.378 5.205 -2.438 1.00 0.00 N ATOM 0 H GLN A 29 -5.619 1.823 0.182 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.179 3.548 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.985 1.885 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.572 2.625 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.406 3.208 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.725 4.639 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.126 5.776 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.407 5.506 -2.352 1.00 0.00 H new ATOM 215 N HIS A 30 -4.109 5.622 0.516 1.00 0.00 N ATOM 216 CA HIS A 30 -4.565 6.995 0.854 1.00 0.00 C ATOM 217 C HIS A 30 -5.173 7.820 -0.331 1.00 0.00 C ATOM 218 O HIS A 30 -4.899 7.595 -1.514 1.00 0.00 O ATOM 219 CB HIS A 30 -3.311 7.780 1.349 1.00 0.00 C ATOM 220 CG HIS A 30 -2.880 7.683 2.806 1.00 0.00 C ATOM 221 ND1 HIS A 30 -1.552 7.515 3.167 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.632 8.150 3.899 1.00 0.00 C ATOM 223 CE1 HIS A 30 -1.624 7.893 4.480 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.825 8.281 5.015 1.00 0.00 N ATOM 0 H HIS A 30 -3.113 5.475 0.680 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.362 6.879 1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.466 7.460 0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.481 8.834 1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.688 8.374 3.871 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.736 7.886 5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.057 8.580 5.962 1.00 0.00 H new ATOM 225 N ASP A 31 -5.954 8.848 0.041 1.00 0.00 N ATOM 226 CA ASP A 31 -6.459 9.855 -0.931 1.00 0.00 C ATOM 227 C ASP A 31 -5.389 11.013 -0.997 1.00 0.00 C ATOM 228 O ASP A 31 -5.670 12.165 -0.662 1.00 0.00 O ATOM 229 CB ASP A 31 -7.919 10.227 -0.561 1.00 0.00 C ATOM 230 CG ASP A 31 -8.258 11.288 0.487 1.00 0.00 C ATOM 231 OD1 ASP A 31 -7.499 11.187 1.604 1.00 0.00 O ATOM 232 OD2 ASP A 31 -9.128 12.137 0.325 1.00 0.00 O ATOM 0 H ASP A 31 -6.253 9.011 1.002 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.551 9.497 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.406 10.536 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.403 9.305 -0.239 1.00 0.00 H new ATOM 233 N THR A 32 -4.139 10.691 -1.397 1.00 0.00 N ATOM 234 CA THR A 32 -2.944 11.597 -1.299 1.00 0.00 C ATOM 235 C THR A 32 -2.436 11.489 0.192 1.00 0.00 C ATOM 236 O THR A 32 -1.428 10.831 0.451 1.00 0.00 O ATOM 237 CB THR A 32 -3.126 13.064 -1.800 1.00 0.00 C ATOM 238 OG1 THR A 32 -3.797 13.100 -3.052 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.792 13.771 -2.000 1.00 0.00 C ATOM 0 H THR A 32 -3.915 9.783 -1.805 1.00 0.00 H new ATOM 0 HA THR A 32 -2.192 11.255 -2.010 1.00 0.00 H new ATOM 0 HB THR A 32 -3.707 13.567 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.899 14.031 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.968 14.788 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.250 13.800 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.201 13.231 -2.740 1.00 0.00 H new ATOM 240 N ILE A 33 -3.141 12.125 1.153 1.00 0.00 N ATOM 241 CA ILE A 33 -2.877 11.983 2.619 1.00 0.00 C ATOM 242 C ILE A 33 -4.327 11.885 3.248 1.00 0.00 C ATOM 243 O ILE A 33 -5.045 10.926 2.944 1.00 0.00 O ATOM 244 CB ILE A 33 -1.924 13.095 3.226 1.00 0.00 C ATOM 245 CG1 ILE A 33 -0.699 13.482 2.358 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.439 12.625 4.626 1.00 0.00 C ATOM 247 CD1 ILE A 33 0.125 14.674 2.869 1.00 0.00 C ATOM 0 H ILE A 33 -3.914 12.756 0.942 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.286 11.099 2.859 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.526 14.002 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.042 12.615 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.047 13.709 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.782 13.381 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.299 12.478 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.895 11.686 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.957 14.860 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.508 15.560 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.512 14.449 3.863 1.00 0.00 H new ATOM 248 N LEU A 34 -4.767 12.863 4.082 1.00 0.00 N ATOM 249 CA LEU A 34 -6.137 12.997 4.676 1.00 0.00 C ATOM 250 C LEU A 34 -6.771 11.650 5.183 1.00 0.00 C ATOM 251 O LEU A 34 -6.344 11.138 6.222 1.00 0.00 O ATOM 252 CB LEU A 34 -7.001 13.875 3.698 1.00 0.00 C ATOM 253 CG LEU A 34 -6.781 15.411 3.596 1.00 0.00 C ATOM 254 CD1 LEU A 34 -6.967 16.139 4.937 1.00 0.00 C ATOM 255 CD2 LEU A 34 -5.445 15.817 2.953 1.00 0.00 C ATOM 0 H LEU A 34 -4.151 13.620 4.377 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.084 13.527 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.865 13.466 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.046 13.719 3.967 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.571 15.737 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.800 17.207 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.981 15.975 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.253 15.752 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.372 16.904 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.621 15.415 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.394 15.420 1.939 1.00 0.00 H new ATOM 256 N SER A 35 -7.784 11.094 4.497 1.00 0.00 N ATOM 257 CA SER A 35 -8.341 9.756 4.822 1.00 0.00 C ATOM 258 C SER A 35 -8.937 9.109 3.537 1.00 0.00 C ATOM 259 O SER A 35 -8.122 8.741 2.685 1.00 0.00 O ATOM 260 CB SER A 35 -9.266 9.826 6.074 1.00 0.00 C ATOM 261 OG SER A 35 -10.399 10.668 5.854 1.00 0.00 O ATOM 0 H SER A 35 -8.241 11.549 3.707 1.00 0.00 H new ATOM 0 HA SER A 35 -7.558 9.065 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.604 8.822 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.697 10.199 6.925 1.00 0.00 H new ATOM 0 HG SER A 35 -10.956 10.685 6.660 1.00 0.00 H new ATOM 262 N LEU A 36 -10.276 8.926 3.393 1.00 0.00 N ATOM 263 CA LEU A 36 -10.958 8.204 2.250 1.00 0.00 C ATOM 264 C LEU A 36 -10.067 7.160 1.472 1.00 0.00 C ATOM 265 O LEU A 36 -9.767 7.275 0.281 1.00 0.00 O ATOM 266 CB LEU A 36 -11.603 9.298 1.349 1.00 0.00 C ATOM 267 CG LEU A 36 -12.622 8.781 0.300 1.00 0.00 C ATOM 268 CD1 LEU A 36 -13.949 8.327 0.932 1.00 0.00 C ATOM 269 CD2 LEU A 36 -12.910 9.876 -0.739 1.00 0.00 C ATOM 0 H LEU A 36 -10.942 9.281 4.079 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.725 7.543 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.104 10.024 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.808 9.830 0.827 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.167 7.912 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.623 7.976 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.758 7.518 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.408 9.165 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.626 9.503 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.324 10.752 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.984 10.150 -1.245 1.00 0.00 H new ATOM 270 N SER A 37 -9.614 6.156 2.226 1.00 0.00 N ATOM 271 CA SER A 37 -8.605 5.184 1.751 1.00 0.00 C ATOM 272 C SER A 37 -9.248 3.853 1.273 1.00 0.00 C ATOM 273 O SER A 37 -9.908 3.152 2.045 1.00 0.00 O ATOM 274 CB SER A 37 -7.622 4.978 2.929 1.00 0.00 C ATOM 275 OG SER A 37 -7.035 6.221 3.334 1.00 0.00 O ATOM 0 H SER A 37 -9.930 5.987 3.181 1.00 0.00 H new ATOM 0 HA SER A 37 -8.082 5.562 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.148 4.529 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.838 4.281 2.635 1.00 0.00 H new ATOM 0 HG SER A 37 -7.531 6.964 2.931 1.00 0.00 H new ATOM 276 N ARG A 38 -9.055 3.510 -0.005 1.00 0.00 N ATOM 277 CA ARG A 38 -9.528 2.204 -0.562 1.00 0.00 C ATOM 278 C ARG A 38 -8.353 1.177 -0.619 1.00 0.00 C ATOM 279 O ARG A 38 -7.188 1.551 -0.509 1.00 0.00 O ATOM 280 CB ARG A 38 -10.117 2.377 -1.996 1.00 0.00 C ATOM 281 CG ARG A 38 -11.089 3.533 -2.310 1.00 0.00 C ATOM 282 CD ARG A 38 -12.345 3.693 -1.432 1.00 0.00 C ATOM 283 NE ARG A 38 -13.408 2.741 -1.843 1.00 0.00 N ATOM 284 CZ ARG A 38 -14.705 2.890 -1.607 1.00 0.00 C ATOM 285 NH1 ARG A 38 -15.223 3.871 -0.916 1.00 0.00 N ATOM 286 NH2 ARG A 38 -15.510 2.003 -2.102 1.00 0.00 N ATOM 0 H ARG A 38 -8.579 4.104 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.311 1.834 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.274 2.471 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.630 1.449 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.525 4.464 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.418 3.419 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.086 3.525 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.718 4.714 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.117 1.904 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.618 4.588 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.232 3.919 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.139 1.227 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.515 2.081 -1.944 1.00 0.00 H new ATOM 287 N CYS A 39 -8.603 -0.124 -0.809 1.00 0.00 N ATOM 288 CA CYS A 39 -7.492 -1.093 -1.010 1.00 0.00 C ATOM 289 C CYS A 39 -6.960 -1.082 -2.480 1.00 0.00 C ATOM 290 O CYS A 39 -7.636 -0.758 -3.459 1.00 0.00 O ATOM 291 CB CYS A 39 -7.930 -2.474 -0.519 1.00 0.00 C ATOM 292 SG CYS A 39 -7.858 -2.490 1.272 1.00 0.00 S ATOM 0 H CYS A 39 -9.537 -0.534 -0.830 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.634 -0.790 -0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.942 -2.694 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.280 -3.246 -0.931 1.00 0.00 H new ATOM 293 N ALA A 40 -5.685 -1.436 -2.579 1.00 0.00 N ATOM 294 CA ALA A 40 -4.892 -1.390 -3.825 1.00 0.00 C ATOM 295 C ALA A 40 -3.929 -2.619 -3.975 1.00 0.00 C ATOM 296 O ALA A 40 -3.905 -3.563 -3.175 1.00 0.00 O ATOM 297 CB ALA A 40 -4.192 -0.015 -3.723 1.00 0.00 C ATOM 0 H ALA A 40 -5.149 -1.774 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.485 -1.473 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.565 0.140 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.943 0.773 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.573 0.013 -2.826 1.00 0.00 H new ATOM 298 N LEU A 41 -3.164 -2.625 -5.069 1.00 0.00 N ATOM 299 CA LEU A 41 -2.186 -3.704 -5.375 1.00 0.00 C ATOM 300 C LEU A 41 -0.774 -3.431 -4.751 1.00 0.00 C ATOM 301 O LEU A 41 -0.250 -2.313 -4.806 1.00 0.00 O ATOM 302 CB LEU A 41 -2.044 -3.844 -6.927 1.00 0.00 C ATOM 303 CG LEU A 41 -3.140 -4.554 -7.768 1.00 0.00 C ATOM 304 CD1 LEU A 41 -3.467 -5.970 -7.263 1.00 0.00 C ATOM 305 CD2 LEU A 41 -4.425 -3.730 -7.934 1.00 0.00 C ATOM 0 H LEU A 41 -3.195 -1.889 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.566 -4.625 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.934 -2.837 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.107 -4.367 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.693 -4.649 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.239 -6.412 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.569 -6.587 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.824 -5.916 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.142 -4.291 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.854 -3.523 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.192 -2.790 -8.434 1.00 0.00 H new ATOM 306 N LYS A 42 -0.152 -4.473 -4.176 1.00 0.00 N ATOM 307 CA LYS A 42 1.261 -4.403 -3.689 1.00 0.00 C ATOM 308 C LYS A 42 2.272 -4.519 -4.893 1.00 0.00 C ATOM 309 O LYS A 42 1.952 -5.046 -5.967 1.00 0.00 O ATOM 310 CB LYS A 42 1.476 -5.433 -2.537 1.00 0.00 C ATOM 311 CG LYS A 42 1.146 -6.935 -2.738 1.00 0.00 C ATOM 312 CD LYS A 42 2.129 -7.719 -3.635 1.00 0.00 C ATOM 313 CE LYS A 42 1.545 -8.255 -4.952 1.00 0.00 C ATOM 314 NZ LYS A 42 0.699 -9.445 -4.722 1.00 0.00 N ATOM 0 H LYS A 42 -0.595 -5.380 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 42 1.468 -3.427 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.525 -5.372 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.889 -5.088 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.112 -7.415 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.147 -7.015 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.974 -7.071 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.522 -8.560 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.955 -7.475 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.356 -8.510 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.320 -9.782 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.269 -10.197 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.088 -9.194 -4.090 1.00 0.00 H new ATOM 315 N ALA A 43 3.496 -3.991 -4.739 1.00 0.00 N ATOM 316 CA ALA A 43 4.472 -3.923 -5.852 1.00 0.00 C ATOM 317 C ALA A 43 5.257 -5.239 -6.183 1.00 0.00 C ATOM 318 O ALA A 43 5.461 -6.153 -5.379 1.00 0.00 O ATOM 319 CB ALA A 43 5.413 -2.757 -5.493 1.00 0.00 C ATOM 0 H ALA A 43 3.838 -3.604 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 43 3.927 -3.768 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.166 -2.644 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.836 -1.836 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.904 -2.965 -4.542 1.00 0.00 H new ATOM 320 N ARG A 44 5.710 -5.269 -7.436 1.00 0.00 N ATOM 321 CA ARG A 44 6.532 -6.359 -8.028 1.00 0.00 C ATOM 322 C ARG A 44 7.796 -5.752 -8.719 1.00 0.00 C ATOM 323 O ARG A 44 7.949 -4.532 -8.832 1.00 0.00 O ATOM 324 CB ARG A 44 5.611 -7.167 -8.989 1.00 0.00 C ATOM 325 CG ARG A 44 4.837 -8.305 -8.275 1.00 0.00 C ATOM 326 CD ARG A 44 3.437 -8.584 -8.849 1.00 0.00 C ATOM 327 NE ARG A 44 2.488 -7.530 -8.404 1.00 0.00 N ATOM 328 CZ ARG A 44 1.231 -7.407 -8.806 1.00 0.00 C ATOM 329 NH1 ARG A 44 0.658 -8.187 -9.685 1.00 0.00 N ATOM 330 NH2 ARG A 44 0.528 -6.450 -8.290 1.00 0.00 N ATOM 0 H ARG A 44 5.517 -4.519 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 44 6.915 -7.046 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.898 -6.488 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.216 -7.593 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.428 -9.219 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.739 -8.053 -7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.480 -8.611 -9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.088 -9.563 -8.519 1.00 0.00 H new ATOM 0 HE ARG A 44 2.833 -6.844 -7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.185 -8.951 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.316 -8.032 -9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.946 -5.825 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.444 -6.321 -8.573 1.00 0.00 H new ATOM 331 N GLU A 45 8.720 -6.611 -9.178 1.00 0.00 N ATOM 332 CA GLU A 45 10.038 -6.183 -9.741 1.00 0.00 C ATOM 333 C GLU A 45 9.978 -5.043 -10.817 1.00 0.00 C ATOM 334 O GLU A 45 9.182 -5.081 -11.757 1.00 0.00 O ATOM 335 CB GLU A 45 10.799 -7.427 -10.274 1.00 0.00 C ATOM 336 CG GLU A 45 12.312 -7.175 -10.532 1.00 0.00 C ATOM 337 CD GLU A 45 13.161 -8.434 -10.655 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.225 -8.895 -11.932 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.724 -8.972 -9.707 1.00 0.00 O ATOM 0 H GLU A 45 8.588 -7.622 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 45 10.582 -5.726 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.693 -8.241 -9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.332 -7.757 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.417 -6.593 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.708 -6.566 -9.719 1.00 0.00 H new ATOM 340 N ASN A 46 10.824 -4.021 -10.603 1.00 0.00 N ATOM 341 CA ASN A 46 10.868 -2.758 -11.417 1.00 0.00 C ATOM 342 C ASN A 46 9.726 -1.711 -11.105 1.00 0.00 C ATOM 343 O ASN A 46 9.655 -0.689 -11.793 1.00 0.00 O ATOM 344 CB ASN A 46 11.037 -3.023 -12.950 1.00 0.00 C ATOM 345 CG ASN A 46 12.251 -3.849 -13.366 1.00 0.00 C ATOM 346 OD1 ASN A 46 12.184 -5.037 -13.650 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.403 -3.247 -13.455 1.00 0.00 N ATOM 0 H ASN A 46 11.514 -4.033 -9.852 1.00 0.00 H new ATOM 0 HA ASN A 46 11.779 -2.267 -11.076 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.141 -3.528 -13.310 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.088 -2.061 -13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.228 -3.766 -13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.480 -2.257 -13.223 1.00 0.00 H new ATOM 348 N SER A 47 8.921 -1.873 -10.033 1.00 0.00 N ATOM 349 CA SER A 47 7.892 -0.879 -9.617 1.00 0.00 C ATOM 350 C SER A 47 8.283 -0.139 -8.299 1.00 0.00 C ATOM 351 O SER A 47 8.928 -0.692 -7.401 1.00 0.00 O ATOM 352 CB SER A 47 6.548 -1.632 -9.471 1.00 0.00 C ATOM 353 OG SER A 47 5.470 -0.738 -9.179 1.00 0.00 O ATOM 0 H SER A 47 8.961 -2.693 -9.428 1.00 0.00 H new ATOM 0 HA SER A 47 7.809 -0.099 -10.374 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.332 -2.174 -10.392 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.631 -2.374 -8.677 1.00 0.00 H new ATOM 0 HG SER A 47 4.637 -1.247 -9.095 1.00 0.00 H new ATOM 354 N GLU A 48 7.852 1.126 -8.170 1.00 0.00 N ATOM 355 CA GLU A 48 8.161 1.978 -7.007 1.00 0.00 C ATOM 356 C GLU A 48 7.247 1.669 -5.768 1.00 0.00 C ATOM 357 O GLU A 48 6.038 1.903 -5.732 1.00 0.00 O ATOM 358 CB GLU A 48 8.089 3.458 -7.470 1.00 0.00 C ATOM 359 CG GLU A 48 8.656 4.429 -6.399 1.00 0.00 C ATOM 360 CD GLU A 48 8.943 5.881 -6.781 1.00 0.00 C ATOM 361 OE1 GLU A 48 8.264 6.304 -7.881 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.713 6.593 -6.147 1.00 0.00 O ATOM 0 H GLU A 48 7.276 1.590 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 48 9.168 1.763 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.648 3.575 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.053 3.721 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.954 4.443 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.586 3.999 -6.026 1.00 0.00 H new ATOM 363 N CYS A 49 7.925 1.138 -4.764 1.00 0.00 N ATOM 364 CA CYS A 49 7.400 0.851 -3.409 1.00 0.00 C ATOM 365 C CYS A 49 7.778 1.997 -2.403 1.00 0.00 C ATOM 366 O CYS A 49 8.471 2.964 -2.742 1.00 0.00 O ATOM 367 CB CYS A 49 8.027 -0.542 -3.044 1.00 0.00 C ATOM 368 SG CYS A 49 9.017 -0.497 -1.522 1.00 0.00 S ATOM 0 H CYS A 49 8.906 0.877 -4.861 1.00 0.00 H new ATOM 0 HA CYS A 49 6.312 0.811 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.228 -1.275 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.654 -0.879 -3.869 1.00 0.00 H new ATOM 369 N SER A 50 7.317 1.894 -1.138 1.00 0.00 N ATOM 370 CA SER A 50 7.790 2.802 -0.045 1.00 0.00 C ATOM 371 C SER A 50 9.178 2.215 0.394 1.00 0.00 C ATOM 372 O SER A 50 10.104 2.269 -0.420 1.00 0.00 O ATOM 373 CB SER A 50 6.683 2.957 1.026 1.00 0.00 C ATOM 374 OG SER A 50 5.571 3.696 0.520 1.00 0.00 O ATOM 0 H SER A 50 6.627 1.204 -0.840 1.00 0.00 H new ATOM 0 HA SER A 50 7.963 3.840 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.349 1.972 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.090 3.462 1.902 1.00 0.00 H new ATOM 0 HG SER A 50 4.958 3.088 0.055 1.00 0.00 H new ATOM 375 N ALA A 51 9.388 1.664 1.603 1.00 0.00 N ATOM 376 CA ALA A 51 10.661 0.967 1.926 1.00 0.00 C ATOM 377 C ALA A 51 10.476 0.013 3.151 1.00 0.00 C ATOM 378 O ALA A 51 10.275 -1.188 2.962 1.00 0.00 O ATOM 379 CB ALA A 51 11.790 2.008 2.081 1.00 0.00 C ATOM 0 H ALA A 51 8.710 1.683 2.365 1.00 0.00 H new ATOM 0 HA ALA A 51 10.959 0.312 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.724 1.499 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.905 2.562 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.539 2.699 2.886 1.00 0.00 H new ATOM 380 N PHE A 52 10.504 0.531 4.395 1.00 0.00 N ATOM 381 CA PHE A 52 10.223 -0.280 5.626 1.00 0.00 C ATOM 382 C PHE A 52 8.708 -0.572 5.899 1.00 0.00 C ATOM 383 O PHE A 52 8.295 -1.696 6.184 1.00 0.00 O ATOM 384 CB PHE A 52 10.961 0.384 6.837 1.00 0.00 C ATOM 385 CG PHE A 52 10.439 1.743 7.369 1.00 0.00 C ATOM 386 CD1 PHE A 52 10.840 2.938 6.762 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.509 1.788 8.416 1.00 0.00 C ATOM 388 CE1 PHE A 52 10.315 4.156 7.186 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.983 3.007 8.838 1.00 0.00 C ATOM 390 CZ PHE A 52 9.387 4.189 8.224 1.00 0.00 C ATOM 0 H PHE A 52 10.718 1.509 4.588 1.00 0.00 H new ATOM 0 HA PHE A 52 10.620 -1.282 5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.943 -0.325 7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 52 12.005 0.518 6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.562 2.916 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.198 0.873 8.898 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.627 5.074 6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.262 3.035 9.641 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.980 5.134 8.553 1.00 0.00 H new ATOM 391 N THR A 53 7.918 0.487 5.777 1.00 0.00 N ATOM 392 CA THR A 53 6.449 0.552 6.033 1.00 0.00 C ATOM 393 C THR A 53 5.979 0.214 7.488 1.00 0.00 C ATOM 394 O THR A 53 6.588 -0.512 8.276 1.00 0.00 O ATOM 395 CB THR A 53 5.582 -0.266 5.008 1.00 0.00 C ATOM 396 OG1 THR A 53 6.012 -1.615 4.872 1.00 0.00 O ATOM 397 CG2 THR A 53 5.574 0.351 3.608 1.00 0.00 C ATOM 0 H THR A 53 8.290 1.389 5.479 1.00 0.00 H new ATOM 0 HA THR A 53 6.268 1.617 5.889 1.00 0.00 H new ATOM 0 HB THR A 53 4.578 -0.237 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.605 -1.846 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.959 -0.258 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.165 1.360 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.593 0.391 3.222 1.00 0.00 H new ATOM 398 N LEU A 54 4.824 0.802 7.806 1.00 0.00 N ATOM 399 CA LEU A 54 4.055 0.535 9.040 1.00 0.00 C ATOM 400 C LEU A 54 2.911 -0.508 8.709 1.00 0.00 C ATOM 401 O LEU A 54 2.761 -0.948 7.561 1.00 0.00 O ATOM 402 CB LEU A 54 3.612 1.944 9.560 1.00 0.00 C ATOM 403 CG LEU A 54 2.513 2.775 8.817 1.00 0.00 C ATOM 404 CD1 LEU A 54 2.011 3.923 9.710 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.951 3.405 7.478 1.00 0.00 C ATOM 0 H LEU A 54 4.380 1.495 7.203 1.00 0.00 H new ATOM 0 HA LEU A 54 4.607 0.056 9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.271 1.811 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.507 2.564 9.600 1.00 0.00 H new ATOM 0 HG LEU A 54 1.737 2.042 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.247 4.491 9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.586 3.512 10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.844 4.581 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.117 3.958 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.786 4.084 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.260 2.618 6.790 1.00 0.00 H new ATOM 406 N TYR A 55 2.070 -0.930 9.672 1.00 0.00 N ATOM 407 CA TYR A 55 0.894 -1.821 9.333 1.00 0.00 C ATOM 408 C TYR A 55 -0.398 -1.032 8.852 1.00 0.00 C ATOM 409 O TYR A 55 -1.494 -1.590 8.748 1.00 0.00 O ATOM 410 CB TYR A 55 0.658 -2.787 10.540 1.00 0.00 C ATOM 411 CG TYR A 55 -0.316 -2.348 11.652 1.00 0.00 C ATOM 412 CD1 TYR A 55 0.076 -1.426 12.627 1.00 0.00 C ATOM 413 CD2 TYR A 55 -1.634 -2.822 11.645 1.00 0.00 C ATOM 414 CE1 TYR A 55 -0.844 -0.973 13.571 1.00 0.00 C ATOM 415 CE2 TYR A 55 -2.550 -2.369 12.589 1.00 0.00 C ATOM 416 CZ TYR A 55 -2.154 -1.444 13.552 1.00 0.00 C ATOM 417 OH TYR A 55 -3.052 -0.995 14.480 1.00 0.00 O ATOM 0 H TYR A 55 2.157 -0.692 10.660 1.00 0.00 H new ATOM 0 HA TYR A 55 1.133 -2.416 8.451 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.300 -3.736 10.141 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.625 -2.981 11.004 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.093 -1.064 12.649 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.941 -3.543 10.902 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.540 -0.255 14.319 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.566 -2.734 12.575 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.921 -1.421 14.327 1.00 0.00 H new ATOM 418 N GLY A 56 -0.251 0.265 8.542 1.00 0.00 N ATOM 419 CA GLY A 56 -1.368 1.170 8.206 1.00 0.00 C ATOM 420 C GLY A 56 -1.363 1.662 6.759 1.00 0.00 C ATOM 421 O GLY A 56 -0.887 0.998 5.842 1.00 0.00 O ATOM 0 H GLY A 56 0.659 0.724 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.309 0.655 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.334 2.033 8.871 1.00 0.00 H new ATOM 422 N VAL A 57 -1.936 2.840 6.565 1.00 0.00 N ATOM 423 CA VAL A 57 -2.267 3.347 5.195 1.00 0.00 C ATOM 424 C VAL A 57 -0.995 3.909 4.473 1.00 0.00 C ATOM 425 O VAL A 57 -0.108 4.536 5.065 1.00 0.00 O ATOM 426 CB VAL A 57 -3.455 4.357 5.241 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.069 4.562 3.844 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.643 3.879 6.093 1.00 0.00 C ATOM 0 H VAL A 57 -2.190 3.478 7.320 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.608 2.508 4.588 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.007 5.259 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.894 5.271 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.309 4.951 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.439 3.609 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.429 4.634 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.029 2.944 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.314 3.720 7.120 1.00 0.00 H new ATOM 429 N TYR A 58 -0.936 3.646 3.164 1.00 0.00 N ATOM 430 CA TYR A 58 0.247 3.914 2.325 1.00 0.00 C ATOM 431 C TYR A 58 0.047 4.907 1.137 1.00 0.00 C ATOM 432 O TYR A 58 -1.016 5.031 0.521 1.00 0.00 O ATOM 433 CB TYR A 58 0.637 2.512 1.754 1.00 0.00 C ATOM 434 CG TYR A 58 0.996 1.354 2.715 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.689 1.568 3.912 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.586 0.058 2.389 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.994 0.497 4.746 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.925 -1.017 3.208 1.00 0.00 C ATOM 439 CZ TYR A 58 1.628 -0.796 4.387 1.00 0.00 C ATOM 440 OH TYR A 58 1.905 -1.849 5.215 1.00 0.00 O ATOM 0 H TYR A 58 -1.714 3.237 2.647 1.00 0.00 H new ATOM 0 HA TYR A 58 1.000 4.404 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.193 2.173 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.490 2.659 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.988 2.568 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.002 -0.111 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.517 0.670 5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.642 -2.021 2.927 1.00 0.00 H new ATOM 0 HH TYR A 58 2.333 -1.519 6.032 1.00 0.00 H new ATOM 441 N TYR A 59 1.173 5.535 0.778 1.00 0.00 N ATOM 442 CA TYR A 59 1.303 6.418 -0.414 1.00 0.00 C ATOM 443 C TYR A 59 1.564 5.550 -1.705 1.00 0.00 C ATOM 444 O TYR A 59 0.824 5.647 -2.682 1.00 0.00 O ATOM 445 CB TYR A 59 2.465 7.416 -0.127 1.00 0.00 C ATOM 446 CG TYR A 59 2.220 8.526 0.912 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.243 8.247 2.285 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.032 9.844 0.487 1.00 0.00 C ATOM 449 CE1 TYR A 59 2.071 9.269 3.215 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.888 10.866 1.420 1.00 0.00 C ATOM 451 CZ TYR A 59 1.920 10.581 2.781 1.00 0.00 C ATOM 452 OH TYR A 59 1.839 11.598 3.691 1.00 0.00 O ATOM 0 H TYR A 59 2.040 5.450 1.308 1.00 0.00 H new ATOM 0 HA TYR A 59 0.386 6.978 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.330 6.838 0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.737 7.893 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.395 7.233 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.998 10.070 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.055 9.043 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.751 11.884 1.086 1.00 0.00 H new ATOM 0 HH TYR A 59 1.977 12.455 3.237 1.00 0.00 H new ATOM 453 N LYS A 60 2.624 4.719 -1.685 1.00 0.00 N ATOM 454 CA LYS A 60 2.953 3.728 -2.739 1.00 0.00 C ATOM 455 C LYS A 60 3.270 2.411 -1.957 1.00 0.00 C ATOM 456 O LYS A 60 4.279 2.322 -1.250 1.00 0.00 O ATOM 457 CB LYS A 60 4.156 4.192 -3.604 1.00 0.00 C ATOM 458 CG LYS A 60 3.821 5.268 -4.660 1.00 0.00 C ATOM 459 CD LYS A 60 5.017 5.545 -5.596 1.00 0.00 C ATOM 460 CE LYS A 60 4.720 6.507 -6.759 1.00 0.00 C ATOM 461 NZ LYS A 60 4.547 7.892 -6.282 1.00 0.00 N ATOM 0 H LYS A 60 3.295 4.715 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 60 2.135 3.593 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.931 4.581 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.576 3.324 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.965 4.943 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.530 6.191 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.835 5.955 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.365 4.597 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.535 6.469 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.818 6.184 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.850 8.555 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.546 8.059 -6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.124 8.040 -5.429 1.00 0.00 H new ATOM 462 N CYS A 61 2.377 1.417 -2.021 1.00 0.00 N ATOM 463 CA CYS A 61 2.496 0.146 -1.249 1.00 0.00 C ATOM 464 C CYS A 61 3.850 -0.670 -1.344 1.00 0.00 C ATOM 465 O CYS A 61 4.551 -0.562 -2.356 1.00 0.00 O ATOM 466 CB CYS A 61 1.310 -0.697 -1.753 1.00 0.00 C ATOM 467 SG CYS A 61 -0.234 -0.049 -1.101 1.00 0.00 S ATOM 0 H CYS A 61 1.544 1.458 -2.608 1.00 0.00 H new ATOM 0 HA CYS A 61 2.490 0.393 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.285 -0.688 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.436 -1.735 -1.446 1.00 0.00 H new ATOM 468 N PRO A 62 4.265 -1.488 -0.326 1.00 0.00 N ATOM 469 CA PRO A 62 5.556 -2.233 -0.367 1.00 0.00 C ATOM 470 C PRO A 62 5.622 -3.417 -1.393 1.00 0.00 C ATOM 471 O PRO A 62 4.635 -3.791 -2.034 1.00 0.00 O ATOM 472 CB PRO A 62 5.689 -2.665 1.111 1.00 0.00 C ATOM 473 CG PRO A 62 4.257 -2.848 1.614 1.00 0.00 C ATOM 474 CD PRO A 62 3.462 -1.769 0.883 1.00 0.00 C ATOM 0 HA PRO A 62 6.386 -1.631 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.257 -3.591 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.216 -1.910 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.879 -3.845 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.196 -2.724 2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.461 -2.116 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.341 -0.877 1.498 1.00 0.00 H new ATOM 475 N CYS A 63 6.823 -3.991 -1.555 1.00 0.00 N ATOM 476 CA CYS A 63 7.042 -5.160 -2.444 1.00 0.00 C ATOM 477 C CYS A 63 6.422 -6.503 -1.916 1.00 0.00 C ATOM 478 O CYS A 63 6.224 -6.695 -0.711 1.00 0.00 O ATOM 479 CB CYS A 63 8.577 -5.276 -2.587 1.00 0.00 C ATOM 480 SG CYS A 63 9.329 -3.751 -3.193 1.00 0.00 S ATOM 0 H CYS A 63 7.667 -3.668 -1.082 1.00 0.00 H new ATOM 0 HA CYS A 63 6.533 -4.999 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.011 -5.533 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.815 -6.092 -3.270 1.00 0.00 H new ATOM 481 N GLU A 64 6.145 -7.452 -2.828 1.00 0.00 N ATOM 482 CA GLU A 64 5.661 -8.813 -2.455 1.00 0.00 C ATOM 483 C GLU A 64 6.683 -9.649 -1.588 1.00 0.00 C ATOM 484 O GLU A 64 7.858 -9.289 -1.448 1.00 0.00 O ATOM 485 CB GLU A 64 5.222 -9.494 -3.794 1.00 0.00 C ATOM 486 CG GLU A 64 6.302 -10.040 -4.770 1.00 0.00 C ATOM 487 CD GLU A 64 6.811 -11.439 -4.430 1.00 0.00 C ATOM 488 OE1 GLU A 64 6.181 -12.467 -4.648 1.00 0.00 O ATOM 489 OE2 GLU A 64 8.020 -11.410 -3.817 1.00 0.00 O ATOM 0 H GLU A 64 6.245 -7.311 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 64 4.814 -8.749 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.565 -10.325 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.620 -8.771 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.890 -10.052 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.147 -9.352 -4.779 1.00 0.00 H new ATOM 490 N ARG A 65 6.248 -10.786 -1.009 1.00 0.00 N ATOM 491 CA ARG A 65 7.101 -11.601 -0.090 1.00 0.00 C ATOM 492 C ARG A 65 8.379 -12.191 -0.782 1.00 0.00 C ATOM 493 O ARG A 65 8.322 -13.051 -1.670 1.00 0.00 O ATOM 494 CB ARG A 65 6.257 -12.727 0.552 1.00 0.00 C ATOM 495 CG ARG A 65 5.199 -12.229 1.563 1.00 0.00 C ATOM 496 CD ARG A 65 4.669 -13.375 2.427 1.00 0.00 C ATOM 497 NE ARG A 65 3.538 -12.886 3.254 1.00 0.00 N ATOM 498 CZ ARG A 65 2.825 -13.631 4.090 1.00 0.00 C ATOM 499 NH1 ARG A 65 3.055 -14.896 4.329 1.00 0.00 N ATOM 500 NH2 ARG A 65 1.835 -13.066 4.708 1.00 0.00 N ATOM 0 H ARG A 65 5.314 -11.169 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 65 7.465 -10.925 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.754 -13.284 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.926 -13.424 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.637 -11.462 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.372 -11.763 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.342 -14.200 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.463 -13.759 3.067 1.00 0.00 H new ATOM 0 HE ARG A 65 3.289 -11.900 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.825 -15.372 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.464 -15.407 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.627 -12.081 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.264 -13.607 5.358 1.00 0.00 H new ATOM 501 N GLY A 66 9.528 -11.671 -0.347 1.00 0.00 N ATOM 502 CA GLY A 66 10.858 -11.987 -0.953 1.00 0.00 C ATOM 503 C GLY A 66 11.644 -10.856 -1.672 1.00 0.00 C ATOM 504 O GLY A 66 12.860 -10.986 -1.825 1.00 0.00 O ATOM 0 H GLY A 66 9.581 -11.017 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.496 -12.379 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.709 -12.793 -1.672 1.00 0.00 H new ATOM 505 N LEU A 67 10.981 -9.789 -2.145 1.00 0.00 N ATOM 506 CA LEU A 67 11.624 -8.689 -2.925 1.00 0.00 C ATOM 507 C LEU A 67 11.945 -7.425 -2.048 1.00 0.00 C ATOM 508 O LEU A 67 11.191 -7.039 -1.151 1.00 0.00 O ATOM 509 CB LEU A 67 10.673 -8.355 -4.120 1.00 0.00 C ATOM 510 CG LEU A 67 10.983 -9.049 -5.474 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.998 -10.585 -5.426 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.970 -8.595 -6.534 1.00 0.00 C ATOM 0 H LEU A 67 9.980 -9.653 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 67 12.596 -9.017 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.656 -8.617 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.692 -7.277 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 67 11.998 -8.742 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.223 -10.978 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.760 -10.920 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.022 -10.949 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.192 -9.085 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.963 -8.863 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.035 -7.514 -6.660 1.00 0.00 H new ATOM 513 N THR A 68 13.078 -6.765 -2.341 1.00 0.00 N ATOM 514 CA THR A 68 13.577 -5.579 -1.582 1.00 0.00 C ATOM 515 C THR A 68 13.309 -4.218 -2.308 1.00 0.00 C ATOM 516 O THR A 68 13.234 -4.138 -3.533 1.00 0.00 O ATOM 517 CB THR A 68 15.096 -5.798 -1.297 1.00 0.00 C ATOM 518 OG1 THR A 68 15.441 -5.128 -0.091 1.00 0.00 O ATOM 519 CG2 THR A 68 16.072 -5.267 -2.354 1.00 0.00 C ATOM 0 H THR A 68 13.686 -7.032 -3.115 1.00 0.00 H new ATOM 0 HA THR A 68 13.022 -5.502 -0.647 1.00 0.00 H new ATOM 0 HB THR A 68 15.203 -6.882 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.394 -5.262 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.095 -5.479 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.874 -5.754 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.941 -4.190 -2.462 1.00 0.00 H new ATOM 520 N CYS A 69 13.246 -3.139 -1.532 1.00 0.00 N ATOM 521 CA CYS A 69 13.005 -1.769 -2.066 1.00 0.00 C ATOM 522 C CYS A 69 14.323 -0.943 -2.338 1.00 0.00 C ATOM 523 O CYS A 69 14.762 -0.165 -1.488 1.00 0.00 O ATOM 524 CB CYS A 69 11.993 -1.170 -1.068 1.00 0.00 C ATOM 525 SG CYS A 69 10.927 0.049 -1.849 1.00 0.00 S ATOM 0 H CYS A 69 13.358 -3.172 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 69 12.593 -1.759 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 69 11.383 -1.969 -0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 69 12.530 -0.706 -0.240 1.00 0.00 H new ATOM 526 N GLU A 70 14.974 -1.121 -3.500 1.00 0.00 N ATOM 527 CA GLU A 70 16.268 -0.456 -3.852 1.00 0.00 C ATOM 528 C GLU A 70 16.224 0.199 -5.272 1.00 0.00 C ATOM 529 O GLU A 70 16.009 -0.480 -6.278 1.00 0.00 O ATOM 530 CB GLU A 70 17.406 -1.519 -3.817 1.00 0.00 C ATOM 531 CG GLU A 70 17.842 -1.995 -2.411 1.00 0.00 C ATOM 532 CD GLU A 70 18.589 -0.986 -1.536 1.00 0.00 C ATOM 533 OE1 GLU A 70 19.032 0.090 -1.927 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.713 -1.424 -0.256 1.00 0.00 O ATOM 0 H GLU A 70 14.625 -1.734 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 70 16.449 0.336 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.083 -2.388 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 70 18.277 -1.107 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.951 -2.317 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.476 -2.873 -2.532 1.00 0.00 H new ATOM 625 N PHE A 84 10.695 6.435 -0.688 1.00 0.00 N ATOM 626 CA PHE A 84 10.407 5.437 -1.766 1.00 0.00 C ATOM 627 C PHE A 84 11.675 4.708 -2.344 1.00 0.00 C ATOM 628 O PHE A 84 12.814 5.159 -2.211 1.00 0.00 O ATOM 629 CB PHE A 84 9.563 6.130 -2.886 1.00 0.00 C ATOM 630 CG PHE A 84 8.218 6.853 -2.588 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.437 6.596 -1.452 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.745 7.775 -3.529 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.229 7.255 -1.253 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.525 8.422 -3.341 1.00 0.00 C ATOM 635 CZ PHE A 84 5.773 8.168 -2.198 1.00 0.00 C ATOM 0 HA PHE A 84 9.833 4.629 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.215 6.865 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.348 5.366 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.778 5.877 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.332 7.987 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.645 7.058 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.164 9.120 -4.082 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.835 8.680 -2.045 1.00 0.00 H new ATOM 636 N GLY A 85 11.438 3.563 -3.006 1.00 0.00 N ATOM 637 CA GLY A 85 12.488 2.703 -3.628 1.00 0.00 C ATOM 638 C GLY A 85 11.918 1.738 -4.707 1.00 0.00 C ATOM 639 O GLY A 85 10.706 1.557 -4.801 1.00 0.00 O ATOM 0 H GLY A 85 10.496 3.192 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.249 3.338 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.981 2.120 -2.850 1.00 0.00 H new ATOM 640 N ILE A 86 12.752 1.086 -5.534 1.00 0.00 N ATOM 641 CA ILE A 86 12.243 0.151 -6.604 1.00 0.00 C ATOM 642 C ILE A 86 12.323 -1.338 -6.114 1.00 0.00 C ATOM 643 O ILE A 86 13.352 -1.796 -5.620 1.00 0.00 O ATOM 644 CB ILE A 86 13.009 0.339 -7.969 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.979 1.782 -8.556 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.467 -0.611 -9.072 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.615 2.297 -9.047 1.00 0.00 C ATOM 0 H ILE A 86 13.768 1.173 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 86 11.199 0.402 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 86 14.039 0.103 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.348 2.468 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.680 1.825 -9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.022 -0.449 -9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.588 -1.646 -8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.410 -0.405 -9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.726 3.311 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.244 1.647 -9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.907 2.299 -8.218 1.00 0.00 H new ATOM 648 N CYS A 87 11.261 -2.126 -6.317 1.00 0.00 N ATOM 649 CA CYS A 87 11.254 -3.578 -6.005 1.00 0.00 C ATOM 650 C CYS A 87 12.272 -4.439 -6.837 1.00 0.00 C ATOM 651 O CYS A 87 12.246 -4.404 -8.070 1.00 0.00 O ATOM 652 CB CYS A 87 9.810 -4.015 -6.274 1.00 0.00 C ATOM 653 SG CYS A 87 8.683 -3.337 -5.043 1.00 0.00 S ATOM 0 H CYS A 87 10.379 -1.786 -6.701 1.00 0.00 H new ATOM 0 HA CYS A 87 11.579 -3.740 -4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.507 -3.686 -7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.749 -5.103 -6.266 1.00 0.00 H new ATOM 654 N HIS A 88 13.175 -5.191 -6.183 1.00 0.00 N ATOM 655 CA HIS A 88 14.120 -6.115 -6.869 1.00 0.00 C ATOM 656 C HIS A 88 14.374 -7.405 -6.029 1.00 0.00 C ATOM 657 O HIS A 88 14.286 -7.424 -4.799 1.00 0.00 O ATOM 658 CB HIS A 88 15.455 -5.391 -7.159 1.00 0.00 C ATOM 659 CG HIS A 88 15.444 -4.411 -8.326 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.566 -4.804 -9.651 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.260 -3.024 -8.231 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.449 -3.578 -10.253 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.288 -2.454 -9.491 1.00 0.00 N ATOM 0 H HIS A 88 13.277 -5.182 -5.168 1.00 0.00 H new ATOM 0 HA HIS A 88 13.665 -6.419 -7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.756 -4.852 -6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.220 -6.144 -7.350 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.117 -2.480 -7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.484 -3.500 -11.330 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.211 -1.476 -9.771 1.00 0.00 H new ATOM 664 N ASN A 89 14.762 -8.490 -6.706 1.00 0.00 N ATOM 665 CA ASN A 89 15.055 -9.790 -6.051 1.00 0.00 C ATOM 666 C ASN A 89 16.594 -9.939 -5.800 1.00 0.00 C ATOM 667 O ASN A 89 17.414 -9.853 -6.719 1.00 0.00 O ATOM 668 CB ASN A 89 14.493 -10.882 -6.989 1.00 0.00 C ATOM 669 CG ASN A 89 14.348 -12.272 -6.367 1.00 0.00 C ATOM 670 OD1 ASN A 89 14.567 -12.507 -5.186 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.963 -13.248 -7.144 1.00 0.00 N ATOM 0 H ASN A 89 14.884 -8.503 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 89 14.589 -9.872 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.516 -10.560 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.144 -10.959 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.849 -14.188 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.776 -13.071 -8.131 1.00 0.00 H new ATOM 672 N VAL A 90 16.963 -10.149 -4.534 1.00 0.00 N ATOM 673 CA VAL A 90 18.394 -10.206 -4.094 1.00 0.00 C ATOM 674 C VAL A 90 18.542 -11.442 -3.144 1.00 0.00 C ATOM 675 O VAL A 90 18.407 -11.350 -1.919 1.00 0.00 O ATOM 676 CB VAL A 90 18.837 -8.853 -3.426 1.00 0.00 C ATOM 677 CG1 VAL A 90 20.322 -8.846 -2.989 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.642 -7.589 -4.302 1.00 0.00 C ATOM 0 H VAL A 90 16.296 -10.286 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 90 19.062 -10.332 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 90 18.167 -8.804 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.563 -7.885 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.492 -9.642 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.958 -9.007 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.977 -6.710 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.225 -7.688 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.587 -7.480 -4.553 1.00 0.00 H new