USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 472 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 1 GLU N :NH3+ -142:sc= 0.0599 (180deg=-0.259) USER MOD Single : A 10 SER OG : rot 12:sc= -0.366! USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= -0.145 (180deg=-0.725) USER MOD Single : A 25 GLN : amide:sc= -0.939 X(o=-0.94,f=-1.1) USER MOD Single : A 28 GLN : amide:sc= -0.337 K(o=-0.34,f=-0.92) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 142:sc= -2.68! (180deg=-4.93!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= -2.98! (180deg=-3.12!) USER MOD Single : A 45 THR OG1 : rot 90:sc= -2.77! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -6.3! K(o=-6.3!,f=-0.49) USER MOD Single : A 63 SER OG : rot 58:sc= 0.0899 USER MOD Single : A 69 ASN : amide:sc= -3.05! C(o=-3.1!,f=-4!) USER MOD Single : A 72 HIS : no HD1:sc= -10.9! C(o=-11!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.727 14.488 2.369 1.00 0.00 N ATOM 2 CA GLU A 1 -2.109 13.171 1.795 1.00 0.00 C ATOM 3 C GLU A 1 -3.423 12.672 2.388 1.00 0.00 C ATOM 4 O GLU A 1 -4.198 13.448 2.946 1.00 0.00 O ATOM 5 CB GLU A 1 -0.987 12.171 2.081 1.00 0.00 C ATOM 6 CG GLU A 1 0.384 12.651 1.635 1.00 0.00 C ATOM 7 CD GLU A 1 0.384 13.173 0.211 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.323 12.587 -0.636 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.093 14.166 -0.057 1.00 0.00 O ATOM 0 H1 GLU A 1 -1.306 15.081 1.626 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.572 14.959 2.751 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.035 14.346 3.133 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.253 13.277 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -0.960 11.964 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -1.214 11.230 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.725 13.439 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.097 11.830 1.717 1.00 0.00 H new ATOM 18 N ALA A 2 -3.666 11.371 2.262 1.00 0.00 N ATOM 19 CA ALA A 2 -4.885 10.769 2.786 1.00 0.00 C ATOM 20 C ALA A 2 -4.578 9.495 3.565 1.00 0.00 C ATOM 21 O ALA A 2 -5.185 9.230 4.603 1.00 0.00 O ATOM 22 CB ALA A 2 -5.857 10.475 1.652 1.00 0.00 C ATOM 0 H ALA A 2 -3.035 10.715 1.802 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.346 11.480 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.764 10.025 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.110 11.403 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.394 9.785 0.946 1.00 0.00 H new ATOM 28 N GLY A 3 -3.633 8.709 3.059 1.00 0.00 N ATOM 29 CA GLY A 3 -3.264 7.473 3.723 1.00 0.00 C ATOM 30 C GLY A 3 -2.112 7.654 4.692 1.00 0.00 C ATOM 31 O GLY A 3 -2.319 8.036 5.844 1.00 0.00 O ATOM 0 H GLY A 3 -3.117 8.906 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.128 7.081 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.991 6.730 2.974 1.00 0.00 H new ATOM 35 N GLU A 4 -0.896 7.377 4.230 1.00 0.00 N ATOM 36 CA GLU A 4 0.287 7.511 5.074 1.00 0.00 C ATOM 37 C GLU A 4 1.348 8.382 4.409 1.00 0.00 C ATOM 38 O GLU A 4 1.114 8.966 3.351 1.00 0.00 O ATOM 39 CB GLU A 4 0.870 6.133 5.393 1.00 0.00 C ATOM 40 CG GLU A 4 0.065 5.357 6.422 1.00 0.00 C ATOM 41 CD GLU A 4 -0.514 6.250 7.502 1.00 0.00 C ATOM 42 OE1 GLU A 4 0.270 6.937 8.189 1.00 0.00 O ATOM 43 OE2 GLU A 4 -1.753 6.261 7.661 1.00 0.00 O ATOM 0 H GLU A 4 -0.704 7.060 3.280 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.019 7.996 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.928 5.550 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.890 6.254 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.745 4.827 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.702 4.602 6.883 1.00 0.00 H new ATOM 50 N GLU A 5 2.515 8.465 5.041 1.00 0.00 N ATOM 51 CA GLU A 5 3.618 9.265 4.517 1.00 0.00 C ATOM 52 C GLU A 5 4.282 8.564 3.336 1.00 0.00 C ATOM 53 O GLU A 5 3.644 7.789 2.626 1.00 0.00 O ATOM 54 CB GLU A 5 4.647 9.527 5.617 1.00 0.00 C ATOM 55 CG GLU A 5 4.024 9.819 6.972 1.00 0.00 C ATOM 56 CD GLU A 5 4.383 11.197 7.494 1.00 0.00 C ATOM 57 OE1 GLU A 5 5.590 11.472 7.664 1.00 0.00 O ATOM 58 OE2 GLU A 5 3.458 12.000 7.734 1.00 0.00 O ATOM 0 H GLU A 5 2.722 7.987 5.918 1.00 0.00 H new ATOM 0 HA GLU A 5 3.216 10.217 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.301 8.660 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.273 10.370 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.940 9.735 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.352 9.066 7.689 1.00 0.00 H new ATOM 65 N CYS A 6 5.568 8.839 3.130 1.00 0.00 N ATOM 66 CA CYS A 6 6.307 8.228 2.031 1.00 0.00 C ATOM 67 C CYS A 6 5.721 8.660 0.688 1.00 0.00 C ATOM 68 O CYS A 6 4.534 8.973 0.596 1.00 0.00 O ATOM 69 CB CYS A 6 6.275 6.705 2.165 1.00 0.00 C ATOM 70 SG CYS A 6 6.668 5.807 0.632 1.00 0.00 S ATOM 0 H CYS A 6 6.116 9.477 3.707 1.00 0.00 H new ATOM 0 HA CYS A 6 7.343 8.563 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.982 6.406 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.284 6.403 2.505 1.00 0.00 H new ATOM 75 N ASP A 7 6.556 8.692 -0.349 1.00 0.00 N ATOM 76 CA ASP A 7 6.099 9.107 -1.673 1.00 0.00 C ATOM 77 C ASP A 7 6.617 8.184 -2.775 1.00 0.00 C ATOM 78 O ASP A 7 6.395 8.440 -3.958 1.00 0.00 O ATOM 79 CB ASP A 7 6.540 10.544 -1.955 1.00 0.00 C ATOM 80 CG ASP A 7 6.156 11.496 -0.840 1.00 0.00 C ATOM 81 OD1 ASP A 7 4.990 11.450 -0.394 1.00 0.00 O ATOM 82 OD2 ASP A 7 7.022 12.288 -0.411 1.00 0.00 O ATOM 0 H ASP A 7 7.543 8.438 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 7 5.011 9.047 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.621 10.569 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.091 10.882 -2.889 1.00 0.00 H new ATOM 87 N CYS A 8 7.303 7.112 -2.391 1.00 0.00 N ATOM 88 CA CYS A 8 7.838 6.168 -3.367 1.00 0.00 C ATOM 89 C CYS A 8 6.724 5.379 -4.049 1.00 0.00 C ATOM 90 O CYS A 8 6.992 4.544 -4.914 1.00 0.00 O ATOM 91 CB CYS A 8 8.741 5.145 -2.709 1.00 0.00 C ATOM 92 SG CYS A 8 10.318 5.733 -2.022 1.00 0.00 S ATOM 0 H CYS A 8 7.501 6.876 -1.419 1.00 0.00 H new ATOM 0 HA CYS A 8 8.389 6.769 -4.090 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.180 4.670 -1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.962 4.370 -3.443 1.00 0.00 H new ATOM 97 N GLY A 9 5.488 5.595 -3.616 1.00 0.00 N ATOM 98 CA GLY A 9 4.370 4.860 -4.168 1.00 0.00 C ATOM 99 C GLY A 9 3.788 3.921 -3.138 1.00 0.00 C ATOM 100 O GLY A 9 4.015 4.102 -1.942 1.00 0.00 O ATOM 0 H GLY A 9 5.241 6.268 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.603 5.556 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.696 4.294 -5.041 1.00 0.00 H new ATOM 104 N SER A 10 3.043 2.916 -3.576 1.00 0.00 N ATOM 105 CA SER A 10 2.464 1.981 -2.631 1.00 0.00 C ATOM 106 C SER A 10 1.867 0.751 -3.303 1.00 0.00 C ATOM 107 O SER A 10 2.444 -0.335 -3.245 1.00 0.00 O ATOM 108 CB SER A 10 1.436 2.698 -1.765 1.00 0.00 C ATOM 109 OG SER A 10 2.077 3.408 -0.721 1.00 0.00 O ATOM 0 H SER A 10 2.830 2.732 -4.556 1.00 0.00 H new ATOM 0 HA SER A 10 3.270 1.609 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.853 3.387 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.737 1.975 -1.345 1.00 0.00 H new ATOM 0 HG SER A 10 3.042 3.436 -0.889 1.00 0.00 H new ATOM 115 N PRO A 11 0.709 0.894 -3.948 1.00 0.00 N ATOM 116 CA PRO A 11 0.047 -0.221 -4.625 1.00 0.00 C ATOM 117 C PRO A 11 0.757 -0.597 -5.917 1.00 0.00 C ATOM 118 O PRO A 11 0.586 0.055 -6.946 1.00 0.00 O ATOM 119 CB PRO A 11 -1.341 0.335 -4.906 1.00 0.00 C ATOM 120 CG PRO A 11 -1.117 1.797 -5.070 1.00 0.00 C ATOM 121 CD PRO A 11 -0.048 2.147 -4.073 1.00 0.00 C ATOM 0 HA PRO A 11 0.040 -1.135 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.773 -0.106 -5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.028 0.126 -4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.801 2.035 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.031 2.359 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.580 2.965 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.472 2.459 -3.119 1.00 0.00 H new ATOM 129 N GLY A 12 1.577 -1.638 -5.845 1.00 0.00 N ATOM 130 CA GLY A 12 2.330 -2.067 -7.007 1.00 0.00 C ATOM 131 C GLY A 12 3.714 -1.461 -6.997 1.00 0.00 C ATOM 132 O GLY A 12 4.656 -2.012 -7.568 1.00 0.00 O ATOM 0 H GLY A 12 1.734 -2.192 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.403 -3.154 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.805 -1.773 -7.916 1.00 0.00 H new ATOM 136 N ASN A 13 3.828 -0.325 -6.319 1.00 0.00 N ATOM 137 CA ASN A 13 5.093 0.380 -6.190 1.00 0.00 C ATOM 138 C ASN A 13 5.491 0.456 -4.721 1.00 0.00 C ATOM 139 O ASN A 13 5.762 1.534 -4.192 1.00 0.00 O ATOM 140 CB ASN A 13 4.986 1.787 -6.782 1.00 0.00 C ATOM 141 CG ASN A 13 5.064 1.785 -8.296 1.00 0.00 C ATOM 142 OD1 ASN A 13 6.093 1.440 -8.876 1.00 0.00 O ATOM 143 ND2 ASN A 13 3.972 2.174 -8.945 1.00 0.00 N ATOM 0 H ASN A 13 3.048 0.130 -5.845 1.00 0.00 H new ATOM 0 HA ASN A 13 5.859 -0.166 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.044 2.239 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.786 2.409 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.965 2.195 -9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.141 2.452 -8.424 1.00 0.00 H new ATOM 150 N PRO A 14 5.530 -0.706 -4.051 1.00 0.00 N ATOM 151 CA PRO A 14 5.889 -0.831 -2.652 1.00 0.00 C ATOM 152 C PRO A 14 6.706 0.340 -2.134 1.00 0.00 C ATOM 153 O PRO A 14 7.935 0.300 -2.166 1.00 0.00 O ATOM 154 CB PRO A 14 6.716 -2.111 -2.684 1.00 0.00 C ATOM 155 CG PRO A 14 6.072 -2.952 -3.748 1.00 0.00 C ATOM 156 CD PRO A 14 5.236 -2.027 -4.608 1.00 0.00 C ATOM 0 HA PRO A 14 5.027 -0.849 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.759 -1.903 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.703 -2.616 -1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.828 -3.457 -4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.450 -3.728 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.514 -2.093 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.174 -2.265 -4.543 1.00 0.00 H new ATOM 164 N CYS A 15 5.998 1.375 -1.658 1.00 0.00 N ATOM 165 CA CYS A 15 6.614 2.590 -1.115 1.00 0.00 C ATOM 166 C CYS A 15 8.133 2.517 -1.147 1.00 0.00 C ATOM 167 O CYS A 15 8.777 2.395 -0.107 1.00 0.00 O ATOM 168 CB CYS A 15 6.126 2.840 0.313 1.00 0.00 C ATOM 169 SG CYS A 15 5.210 4.401 0.518 1.00 0.00 S ATOM 0 H CYS A 15 4.978 1.391 -1.640 1.00 0.00 H new ATOM 0 HA CYS A 15 6.311 3.423 -1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.486 2.012 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.985 2.843 0.984 1.00 0.00 H new ATOM 174 N CYS A 16 8.673 2.602 -2.365 1.00 0.00 N ATOM 175 CA CYS A 16 10.115 2.561 -2.620 1.00 0.00 C ATOM 176 C CYS A 16 10.489 1.254 -3.309 1.00 0.00 C ATOM 177 O CYS A 16 10.333 0.171 -2.749 1.00 0.00 O ATOM 178 CB CYS A 16 10.939 2.770 -1.343 1.00 0.00 C ATOM 179 SG CYS A 16 10.691 4.395 -0.525 1.00 0.00 S ATOM 0 H CYS A 16 8.114 2.702 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 16 10.357 3.391 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.691 1.980 -0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 16 11.996 2.659 -1.587 1.00 0.00 H new ATOM 184 N ASP A 17 10.963 1.375 -4.547 1.00 0.00 N ATOM 185 CA ASP A 17 11.345 0.213 -5.346 1.00 0.00 C ATOM 186 C ASP A 17 12.192 0.616 -6.555 1.00 0.00 C ATOM 187 O ASP A 17 13.041 -0.153 -7.010 1.00 0.00 O ATOM 188 CB ASP A 17 10.099 -0.540 -5.815 1.00 0.00 C ATOM 189 CG ASP A 17 8.982 0.396 -6.234 1.00 0.00 C ATOM 190 OD1 ASP A 17 8.691 1.349 -5.480 1.00 0.00 O ATOM 191 OD2 ASP A 17 8.399 0.177 -7.316 1.00 0.00 O ATOM 0 H ASP A 17 11.092 2.269 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 17 11.947 -0.439 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.362 -1.186 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.745 -1.187 -5.012 1.00 0.00 H new ATOM 196 N ALA A 18 11.946 1.815 -7.087 1.00 0.00 N ATOM 197 CA ALA A 18 12.684 2.308 -8.244 1.00 0.00 C ATOM 198 C ALA A 18 12.098 1.771 -9.542 1.00 0.00 C ATOM 199 O ALA A 18 11.994 2.490 -10.535 1.00 0.00 O ATOM 200 CB ALA A 18 14.154 1.930 -8.131 1.00 0.00 C ATOM 0 H ALA A 18 11.240 2.460 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 18 12.598 3.394 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.694 2.304 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.574 2.370 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.248 0.845 -8.084 1.00 0.00 H new ATOM 206 N ALA A 19 11.722 0.500 -9.525 1.00 0.00 N ATOM 207 CA ALA A 19 11.152 -0.142 -10.696 1.00 0.00 C ATOM 208 C ALA A 19 10.595 -1.525 -10.361 1.00 0.00 C ATOM 209 O ALA A 19 9.648 -1.988 -10.995 1.00 0.00 O ATOM 210 CB ALA A 19 12.199 -0.241 -11.791 1.00 0.00 C ATOM 0 H ALA A 19 11.803 -0.107 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 19 10.321 0.469 -11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.765 -0.724 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.540 0.759 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.044 -0.829 -11.434 1.00 0.00 H new ATOM 216 N THR A 20 11.187 -2.185 -9.365 1.00 0.00 N ATOM 217 CA THR A 20 10.737 -3.512 -8.966 1.00 0.00 C ATOM 218 C THR A 20 10.527 -3.581 -7.459 1.00 0.00 C ATOM 219 O THR A 20 11.408 -3.209 -6.684 1.00 0.00 O ATOM 220 CB THR A 20 11.753 -4.570 -9.400 1.00 0.00 C ATOM 221 OG1 THR A 20 11.286 -5.871 -9.089 1.00 0.00 O ATOM 222 CG2 THR A 20 13.109 -4.400 -8.750 1.00 0.00 C ATOM 0 H THR A 20 11.973 -1.823 -8.825 1.00 0.00 H new ATOM 0 HA THR A 20 9.785 -3.710 -9.458 1.00 0.00 H new ATOM 0 HB THR A 20 11.866 -4.438 -10.476 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.949 -6.534 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.782 -5.183 -9.101 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.519 -3.425 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.005 -4.470 -7.667 1.00 0.00 H new ATOM 230 N CYS A 21 9.358 -4.060 -7.051 1.00 0.00 N ATOM 231 CA CYS A 21 9.039 -4.176 -5.635 1.00 0.00 C ATOM 232 C CYS A 21 10.276 -4.590 -4.839 1.00 0.00 C ATOM 233 O CYS A 21 10.596 -5.776 -4.749 1.00 0.00 O ATOM 234 CB CYS A 21 7.912 -5.197 -5.421 1.00 0.00 C ATOM 235 SG CYS A 21 6.376 -4.837 -6.341 1.00 0.00 S ATOM 0 H CYS A 21 8.618 -4.373 -7.679 1.00 0.00 H new ATOM 0 HA CYS A 21 8.704 -3.202 -5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.273 -6.183 -5.713 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.680 -5.245 -4.357 1.00 0.00 H new ATOM 240 N LYS A 22 10.971 -3.610 -4.264 1.00 0.00 N ATOM 241 CA LYS A 22 12.173 -3.889 -3.479 1.00 0.00 C ATOM 242 C LYS A 22 12.658 -2.642 -2.740 1.00 0.00 C ATOM 243 O LYS A 22 12.975 -1.628 -3.359 1.00 0.00 O ATOM 244 CB LYS A 22 13.284 -4.419 -4.386 1.00 0.00 C ATOM 245 CG LYS A 22 14.652 -4.440 -3.724 1.00 0.00 C ATOM 246 CD LYS A 22 15.759 -4.670 -4.741 1.00 0.00 C ATOM 247 CE LYS A 22 16.005 -3.430 -5.585 1.00 0.00 C ATOM 248 NZ LYS A 22 16.313 -2.239 -4.746 1.00 0.00 N ATOM 0 H LYS A 22 10.725 -2.622 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 22 11.918 -4.646 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.029 -5.429 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.334 -3.803 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.822 -3.496 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.680 -5.226 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.678 -4.948 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.492 -5.505 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.833 -3.615 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.125 -3.226 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.102 -1.710 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.474 -1.626 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.579 -2.548 -3.789 1.00 0.00 H new ATOM 262 N LEU A 23 12.723 -2.728 -1.413 1.00 0.00 N ATOM 263 CA LEU A 23 13.178 -1.607 -0.595 1.00 0.00 C ATOM 264 C LEU A 23 13.810 -2.089 0.707 1.00 0.00 C ATOM 265 O LEU A 23 13.210 -2.863 1.454 1.00 0.00 O ATOM 266 CB LEU A 23 12.026 -0.637 -0.295 1.00 0.00 C ATOM 267 CG LEU A 23 10.822 -1.213 0.466 1.00 0.00 C ATOM 268 CD1 LEU A 23 9.573 -0.404 0.157 1.00 0.00 C ATOM 269 CD2 LEU A 23 10.593 -2.675 0.119 1.00 0.00 C ATOM 0 H LEU A 23 12.467 -3.561 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 23 13.938 -1.077 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.425 0.198 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.668 -0.230 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 23 11.039 -1.150 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.726 -0.821 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.726 0.632 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.371 -0.442 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.734 -3.051 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.403 -2.770 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.478 -3.255 0.383 1.00 0.00 H new ATOM 281 N ARG A 24 15.026 -1.621 0.977 1.00 0.00 N ATOM 282 CA ARG A 24 15.736 -2.000 2.193 1.00 0.00 C ATOM 283 C ARG A 24 14.863 -1.760 3.415 1.00 0.00 C ATOM 284 O ARG A 24 15.070 -2.355 4.472 1.00 0.00 O ATOM 285 CB ARG A 24 17.043 -1.214 2.317 1.00 0.00 C ATOM 286 CG ARG A 24 18.018 -1.471 1.180 1.00 0.00 C ATOM 287 CD ARG A 24 19.400 -1.832 1.702 1.00 0.00 C ATOM 288 NE ARG A 24 20.095 -2.759 0.814 1.00 0.00 N ATOM 289 CZ ARG A 24 20.808 -2.375 -0.239 1.00 0.00 C ATOM 290 NH1 ARG A 24 20.918 -1.086 -0.534 1.00 0.00 N ATOM 291 NH2 ARG A 24 21.412 -3.278 -1.000 1.00 0.00 N ATOM 0 H ARG A 24 15.538 -0.980 0.371 1.00 0.00 H new ATOM 0 HA ARG A 24 15.972 -3.063 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.814 -0.149 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.523 -1.471 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.642 -2.279 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 18.086 -0.584 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 24 19.993 -0.925 1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 24 19.308 -2.278 2.692 1.00 0.00 H new ATOM 0 HE ARG A 24 20.030 -3.757 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 24 20.455 -0.388 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.466 -0.793 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.330 -4.270 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.959 -2.980 -1.808 1.00 0.00 H new ATOM 305 N GLN A 25 13.880 -0.889 3.250 1.00 0.00 N ATOM 306 CA GLN A 25 12.953 -0.562 4.323 1.00 0.00 C ATOM 307 C GLN A 25 11.688 -1.411 4.201 1.00 0.00 C ATOM 308 O GLN A 25 11.767 -2.605 3.910 1.00 0.00 O ATOM 309 CB GLN A 25 12.610 0.930 4.284 1.00 0.00 C ATOM 310 CG GLN A 25 12.251 1.506 5.644 1.00 0.00 C ATOM 311 CD GLN A 25 10.934 2.257 5.629 1.00 0.00 C ATOM 312 OE1 GLN A 25 9.953 1.827 6.237 1.00 0.00 O ATOM 313 NE2 GLN A 25 10.905 3.387 4.932 1.00 0.00 N ATOM 0 H GLN A 25 13.703 -0.392 2.377 1.00 0.00 H new ATOM 0 HA GLN A 25 13.424 -0.783 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.460 1.479 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.775 1.085 3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.196 0.698 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.045 2.178 5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.741 3.706 4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.046 3.936 4.885 1.00 0.00 H new ATOM 322 N GLY A 26 10.523 -0.804 4.418 1.00 0.00 N ATOM 323 CA GLY A 26 9.283 -1.548 4.315 1.00 0.00 C ATOM 324 C GLY A 26 8.114 -0.681 3.894 1.00 0.00 C ATOM 325 O GLY A 26 7.661 0.176 4.654 1.00 0.00 O ATOM 0 H GLY A 26 10.418 0.181 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.408 -2.357 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.060 -2.009 5.277 1.00 0.00 H new ATOM 329 N ALA A 27 7.620 -0.909 2.683 1.00 0.00 N ATOM 330 CA ALA A 27 6.496 -0.155 2.160 1.00 0.00 C ATOM 331 C ALA A 27 5.190 -0.875 2.468 1.00 0.00 C ATOM 332 O ALA A 27 4.200 -0.724 1.752 1.00 0.00 O ATOM 333 CB ALA A 27 6.658 0.040 0.659 1.00 0.00 C ATOM 0 H ALA A 27 7.985 -1.615 2.044 1.00 0.00 H new ATOM 0 HA ALA A 27 6.469 0.824 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.811 0.607 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.581 0.585 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.698 -0.932 0.168 1.00 0.00 H new ATOM 339 N GLN A 28 5.201 -1.678 3.530 1.00 0.00 N ATOM 340 CA GLN A 28 4.023 -2.443 3.920 1.00 0.00 C ATOM 341 C GLN A 28 2.812 -1.541 4.122 1.00 0.00 C ATOM 342 O GLN A 28 2.777 -0.739 5.056 1.00 0.00 O ATOM 343 CB GLN A 28 4.264 -3.213 5.209 1.00 0.00 C ATOM 344 CG GLN A 28 5.633 -3.835 5.303 1.00 0.00 C ATOM 345 CD GLN A 28 6.396 -3.393 6.536 1.00 0.00 C ATOM 346 OE1 GLN A 28 6.874 -4.220 7.314 1.00 0.00 O ATOM 347 NE2 GLN A 28 6.514 -2.084 6.722 1.00 0.00 N ATOM 0 H GLN A 28 6.012 -1.814 4.134 1.00 0.00 H new ATOM 0 HA GLN A 28 3.827 -3.141 3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.123 -2.540 6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.513 -3.998 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.534 -4.920 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.207 -3.575 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.102 -1.435 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.017 -1.728 7.535 1.00 0.00 H new ATOM 356 N CYS A 29 1.823 -1.665 3.249 1.00 0.00 N ATOM 357 CA CYS A 29 0.621 -0.844 3.352 1.00 0.00 C ATOM 358 C CYS A 29 1.036 0.579 3.677 1.00 0.00 C ATOM 359 O CYS A 29 0.425 1.254 4.507 1.00 0.00 O ATOM 360 CB CYS A 29 -0.332 -1.380 4.437 1.00 0.00 C ATOM 361 SG CYS A 29 -0.710 -3.162 4.299 1.00 0.00 S ATOM 0 H CYS A 29 1.826 -2.320 2.467 1.00 0.00 H new ATOM 0 HA CYS A 29 0.086 -0.874 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.108 -1.189 5.416 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.265 -0.819 4.393 1.00 0.00 H new ATOM 366 N ALA A 30 2.103 1.012 3.019 1.00 0.00 N ATOM 367 CA ALA A 30 2.649 2.349 3.231 1.00 0.00 C ATOM 368 C ALA A 30 1.632 3.417 2.838 1.00 0.00 C ATOM 369 O ALA A 30 0.434 3.232 3.055 1.00 0.00 O ATOM 370 CB ALA A 30 3.942 2.518 2.447 1.00 0.00 C ATOM 0 H ALA A 30 2.610 0.456 2.331 1.00 0.00 H new ATOM 0 HA ALA A 30 2.869 2.470 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.340 3.519 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.670 1.778 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.744 2.378 1.384 1.00 0.00 H new ATOM 376 N GLU A 31 2.096 4.522 2.233 1.00 0.00 N ATOM 377 CA GLU A 31 1.183 5.580 1.789 1.00 0.00 C ATOM 378 C GLU A 31 -0.064 4.928 1.236 1.00 0.00 C ATOM 379 O GLU A 31 -1.175 5.435 1.372 1.00 0.00 O ATOM 380 CB GLU A 31 1.843 6.451 0.717 1.00 0.00 C ATOM 381 CG GLU A 31 1.096 7.745 0.439 1.00 0.00 C ATOM 382 CD GLU A 31 1.768 8.587 -0.627 1.00 0.00 C ATOM 383 OE1 GLU A 31 2.843 8.181 -1.116 1.00 0.00 O ATOM 384 OE2 GLU A 31 1.218 9.654 -0.975 1.00 0.00 O ATOM 0 H GLU A 31 3.082 4.702 2.044 1.00 0.00 H new ATOM 0 HA GLU A 31 0.930 6.224 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.860 6.688 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.919 5.879 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.078 7.513 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.022 8.323 1.360 1.00 0.00 H new ATOM 391 N GLY A 32 0.162 3.767 0.649 1.00 0.00 N ATOM 392 CA GLY A 32 -0.889 2.959 0.098 1.00 0.00 C ATOM 393 C GLY A 32 -0.632 1.512 0.425 1.00 0.00 C ATOM 394 O GLY A 32 -0.289 1.185 1.560 1.00 0.00 O ATOM 0 H GLY A 32 1.092 3.362 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.852 3.269 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.939 3.096 -0.982 1.00 0.00 H new ATOM 398 N LEU A 33 -0.760 0.640 -0.557 1.00 0.00 N ATOM 399 CA LEU A 33 -0.490 -0.765 -0.315 1.00 0.00 C ATOM 400 C LEU A 33 0.987 -1.097 -0.586 1.00 0.00 C ATOM 401 O LEU A 33 1.850 -0.224 -0.487 1.00 0.00 O ATOM 402 CB LEU A 33 -1.400 -1.654 -1.153 1.00 0.00 C ATOM 403 CG LEU A 33 -1.776 -2.994 -0.510 1.00 0.00 C ATOM 404 CD1 LEU A 33 -1.474 -4.129 -1.464 1.00 0.00 C ATOM 405 CD2 LEU A 33 -1.052 -3.206 0.816 1.00 0.00 C ATOM 0 H LEU A 33 -1.043 0.871 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.698 -0.964 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.316 -1.105 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.910 -1.852 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.845 -2.977 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.744 -5.077 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.050 -3.997 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.410 -4.132 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.345 -4.166 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.025 -3.196 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.318 -2.407 1.508 1.00 0.00 H new ATOM 417 N CYS A 34 1.274 -2.360 -0.920 1.00 0.00 N ATOM 418 CA CYS A 34 2.650 -2.795 -1.192 1.00 0.00 C ATOM 419 C CYS A 34 2.680 -3.971 -2.166 1.00 0.00 C ATOM 420 O CYS A 34 1.706 -4.226 -2.875 1.00 0.00 O ATOM 421 CB CYS A 34 3.351 -3.190 0.109 1.00 0.00 C ATOM 422 SG CYS A 34 5.120 -2.773 0.182 1.00 0.00 S ATOM 0 H CYS A 34 0.575 -3.097 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 34 3.176 -1.956 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.843 -2.702 0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.240 -4.265 0.253 1.00 0.00 H new ATOM 427 N CYS A 35 3.808 -4.685 -2.199 1.00 0.00 N ATOM 428 CA CYS A 35 3.953 -5.830 -3.097 1.00 0.00 C ATOM 429 C CYS A 35 5.221 -6.636 -2.808 1.00 0.00 C ATOM 430 O CYS A 35 5.257 -7.849 -3.015 1.00 0.00 O ATOM 431 CB CYS A 35 3.946 -5.347 -4.560 1.00 0.00 C ATOM 432 SG CYS A 35 5.067 -6.252 -5.690 1.00 0.00 S ATOM 0 H CYS A 35 4.626 -4.492 -1.620 1.00 0.00 H new ATOM 0 HA CYS A 35 3.107 -6.495 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.929 -5.424 -4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.215 -4.291 -4.578 1.00 0.00 H new ATOM 437 N ASP A 36 6.259 -5.953 -2.362 1.00 0.00 N ATOM 438 CA ASP A 36 7.540 -6.591 -2.078 1.00 0.00 C ATOM 439 C ASP A 36 7.583 -7.176 -0.668 1.00 0.00 C ATOM 440 O ASP A 36 6.624 -7.065 0.095 1.00 0.00 O ATOM 441 CB ASP A 36 8.671 -5.569 -2.298 1.00 0.00 C ATOM 442 CG ASP A 36 9.720 -5.543 -1.200 1.00 0.00 C ATOM 443 OD1 ASP A 36 9.444 -4.964 -0.130 1.00 0.00 O ATOM 444 OD2 ASP A 36 10.817 -6.101 -1.413 1.00 0.00 O ATOM 0 H ASP A 36 6.243 -4.948 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 36 7.675 -7.429 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.162 -5.788 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.233 -4.575 -2.388 1.00 0.00 H new ATOM 449 N GLN A 37 8.711 -7.796 -0.332 1.00 0.00 N ATOM 450 CA GLN A 37 8.899 -8.394 0.980 1.00 0.00 C ATOM 451 C GLN A 37 8.439 -7.444 2.080 1.00 0.00 C ATOM 452 O GLN A 37 8.126 -7.886 3.186 1.00 0.00 O ATOM 453 CB GLN A 37 10.368 -8.764 1.190 1.00 0.00 C ATOM 454 CG GLN A 37 10.884 -9.795 0.200 1.00 0.00 C ATOM 455 CD GLN A 37 10.608 -11.219 0.644 1.00 0.00 C ATOM 456 OE1 GLN A 37 9.699 -11.875 0.136 1.00 0.00 O ATOM 457 NE2 GLN A 37 11.395 -11.703 1.599 1.00 0.00 N ATOM 0 H GLN A 37 9.511 -7.896 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 37 8.294 -9.299 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.976 -7.862 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.496 -9.149 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.420 -9.625 -0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.958 -9.661 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.137 -11.123 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.258 -12.655 1.940 1.00 0.00 H new ATOM 466 N CYS A 38 8.401 -6.139 1.766 1.00 0.00 N ATOM 467 CA CYS A 38 7.974 -5.113 2.722 1.00 0.00 C ATOM 468 C CYS A 38 7.092 -5.715 3.805 1.00 0.00 C ATOM 469 O CYS A 38 7.393 -5.596 4.992 1.00 0.00 O ATOM 470 CB CYS A 38 7.245 -3.970 1.995 1.00 0.00 C ATOM 471 SG CYS A 38 5.985 -4.508 0.794 1.00 0.00 S ATOM 0 H CYS A 38 8.663 -5.771 0.851 1.00 0.00 H new ATOM 0 HA CYS A 38 8.862 -4.702 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.768 -3.331 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.984 -3.359 1.476 1.00 0.00 H new ATOM 476 N ARG A 39 6.022 -6.377 3.367 1.00 0.00 N ATOM 477 CA ARG A 39 5.060 -7.028 4.257 1.00 0.00 C ATOM 478 C ARG A 39 3.807 -6.173 4.356 1.00 0.00 C ATOM 479 O ARG A 39 3.645 -5.224 3.589 1.00 0.00 O ATOM 480 CB ARG A 39 5.648 -7.299 5.648 1.00 0.00 C ATOM 481 CG ARG A 39 5.036 -8.507 6.338 1.00 0.00 C ATOM 482 CD ARG A 39 6.010 -9.673 6.388 1.00 0.00 C ATOM 483 NE ARG A 39 5.639 -10.653 7.405 1.00 0.00 N ATOM 484 CZ ARG A 39 6.038 -11.920 7.385 1.00 0.00 C ATOM 485 NH1 ARG A 39 6.816 -12.358 6.405 1.00 0.00 N ATOM 486 NH2 ARG A 39 5.659 -12.751 8.347 1.00 0.00 N ATOM 0 H ARG A 39 5.796 -6.478 2.377 1.00 0.00 H new ATOM 0 HA ARG A 39 4.807 -7.999 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.724 -7.449 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.501 -6.419 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.738 -8.237 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.132 -8.809 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.045 -10.158 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.013 -9.299 6.594 1.00 0.00 H new ATOM 0 HE ARG A 39 5.041 -10.348 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.110 -11.722 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.121 -13.331 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.061 -12.417 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.966 -13.724 8.331 1.00 0.00 H new ATOM 500 N PHE A 40 2.905 -6.510 5.269 1.00 0.00 N ATOM 501 CA PHE A 40 1.671 -5.747 5.396 1.00 0.00 C ATOM 502 C PHE A 40 1.094 -5.789 6.804 1.00 0.00 C ATOM 503 O PHE A 40 1.341 -6.720 7.570 1.00 0.00 O ATOM 504 CB PHE A 40 0.646 -6.253 4.389 1.00 0.00 C ATOM 505 CG PHE A 40 1.167 -6.270 2.983 1.00 0.00 C ATOM 506 CD1 PHE A 40 2.008 -7.281 2.555 1.00 0.00 C ATOM 507 CD2 PHE A 40 0.832 -5.264 2.097 1.00 0.00 C ATOM 508 CE1 PHE A 40 2.504 -7.290 1.270 1.00 0.00 C ATOM 509 CE2 PHE A 40 1.320 -5.265 0.812 1.00 0.00 C ATOM 510 CZ PHE A 40 2.160 -6.280 0.394 1.00 0.00 C ATOM 0 H PHE A 40 3.001 -7.290 5.920 1.00 0.00 H new ATOM 0 HA PHE A 40 1.912 -4.705 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.336 -7.260 4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.242 -5.622 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.279 -8.073 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.178 -4.467 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.160 -8.085 0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.047 -4.474 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.546 -6.283 -0.615 1.00 0.00 H new ATOM 520 N MET A 41 0.324 -4.755 7.126 1.00 0.00 N ATOM 521 CA MET A 41 -0.305 -4.627 8.429 1.00 0.00 C ATOM 522 C MET A 41 -1.232 -5.797 8.722 1.00 0.00 C ATOM 523 O MET A 41 -0.993 -6.570 9.650 1.00 0.00 O ATOM 524 CB MET A 41 -1.097 -3.325 8.503 1.00 0.00 C ATOM 525 CG MET A 41 -0.550 -2.338 9.523 1.00 0.00 C ATOM 526 SD MET A 41 -0.678 -2.947 11.216 1.00 0.00 S ATOM 527 CE MET A 41 0.844 -3.881 11.359 1.00 0.00 C ATOM 0 H MET A 41 0.121 -3.984 6.489 1.00 0.00 H new ATOM 0 HA MET A 41 0.488 -4.623 9.177 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.100 -2.855 7.520 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.134 -3.553 8.750 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.495 -2.127 9.295 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.091 -1.396 9.438 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.259 -3.750 12.358 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.640 -4.938 11.187 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.561 -3.525 10.619 1.00 0.00 H new ATOM 537 N LYS A 42 -2.304 -5.911 7.939 1.00 0.00 N ATOM 538 CA LYS A 42 -3.272 -6.976 8.130 1.00 0.00 C ATOM 539 C LYS A 42 -4.312 -6.570 9.164 1.00 0.00 C ATOM 540 O LYS A 42 -4.729 -7.375 9.997 1.00 0.00 O ATOM 541 CB LYS A 42 -2.577 -8.273 8.551 1.00 0.00 C ATOM 542 CG LYS A 42 -3.011 -9.486 7.746 1.00 0.00 C ATOM 543 CD LYS A 42 -2.397 -9.476 6.355 1.00 0.00 C ATOM 544 CE LYS A 42 -1.003 -10.083 6.352 1.00 0.00 C ATOM 545 NZ LYS A 42 -0.231 -9.719 7.572 1.00 0.00 N ATOM 0 H LYS A 42 -2.519 -5.277 7.169 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.777 -7.153 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.499 -8.147 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.778 -8.457 9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.717 -10.396 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.098 -9.502 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.038 -10.032 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.349 -8.452 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.081 -11.168 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.463 -9.745 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.707 -10.168 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.119 -8.686 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.741 -10.049 8.417 1.00 0.00 H new ATOM 559 N GLU A 43 -4.724 -5.310 9.098 1.00 0.00 N ATOM 560 CA GLU A 43 -5.715 -4.775 10.019 1.00 0.00 C ATOM 561 C GLU A 43 -6.097 -3.356 9.625 1.00 0.00 C ATOM 562 O GLU A 43 -5.433 -2.392 10.007 1.00 0.00 O ATOM 563 CB GLU A 43 -5.178 -4.791 11.446 1.00 0.00 C ATOM 564 CG GLU A 43 -6.263 -4.720 12.508 1.00 0.00 C ATOM 565 CD GLU A 43 -5.716 -4.368 13.878 1.00 0.00 C ATOM 566 OE1 GLU A 43 -4.636 -3.745 13.943 1.00 0.00 O ATOM 567 OE2 GLU A 43 -6.368 -4.716 14.884 1.00 0.00 O ATOM 0 H GLU A 43 -4.384 -4.637 8.411 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.603 -5.405 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.595 -5.700 11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.497 -3.950 11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.005 -3.977 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.777 -5.680 12.562 1.00 0.00 H new ATOM 574 N GLY A 44 -7.174 -3.242 8.861 1.00 0.00 N ATOM 575 CA GLY A 44 -7.647 -1.948 8.417 1.00 0.00 C ATOM 576 C GLY A 44 -6.547 -0.932 8.224 1.00 0.00 C ATOM 577 O GLY A 44 -6.582 0.136 8.836 1.00 0.00 O ATOM 0 H GLY A 44 -7.733 -4.032 8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.185 -2.071 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.361 -1.563 9.145 1.00 0.00 H new ATOM 581 N THR A 45 -5.577 -1.227 7.360 1.00 0.00 N ATOM 582 CA THR A 45 -4.514 -0.267 7.118 1.00 0.00 C ATOM 583 C THR A 45 -4.850 0.556 5.871 1.00 0.00 C ATOM 584 O THR A 45 -5.951 1.099 5.789 1.00 0.00 O ATOM 585 CB THR A 45 -3.165 -0.976 7.024 1.00 0.00 C ATOM 586 OG1 THR A 45 -3.237 -2.245 7.642 1.00 0.00 O ATOM 587 CG2 THR A 45 -2.048 -0.206 7.689 1.00 0.00 C ATOM 0 H THR A 45 -5.508 -2.097 6.832 1.00 0.00 H new ATOM 0 HA THR A 45 -4.434 0.427 7.955 1.00 0.00 H new ATOM 0 HB THR A 45 -2.944 -1.062 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.503 -2.917 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.115 -0.760 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.944 0.769 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.278 -0.071 8.746 1.00 0.00 H new ATOM 595 N ILE A 46 -3.942 0.672 4.905 1.00 0.00 N ATOM 596 CA ILE A 46 -4.247 1.453 3.718 1.00 0.00 C ATOM 597 C ILE A 46 -3.761 0.770 2.430 1.00 0.00 C ATOM 598 O ILE A 46 -2.573 0.802 2.107 1.00 0.00 O ATOM 599 CB ILE A 46 -3.671 2.892 3.853 1.00 0.00 C ATOM 600 CG1 ILE A 46 -4.815 3.901 3.962 1.00 0.00 C ATOM 601 CG2 ILE A 46 -2.745 3.265 2.699 1.00 0.00 C ATOM 602 CD1 ILE A 46 -4.847 4.637 5.283 1.00 0.00 C ATOM 0 H ILE A 46 -3.015 0.247 4.921 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.332 1.522 3.639 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.069 2.916 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.727 4.626 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.762 3.381 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.372 4.279 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.905 2.571 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.295 3.212 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.684 5.336 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.966 3.921 6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.915 5.186 5.416 1.00 0.00 H new ATOM 614 N CYS A 47 -4.695 0.167 1.686 1.00 0.00 N ATOM 615 CA CYS A 47 -4.358 -0.492 0.425 1.00 0.00 C ATOM 616 C CYS A 47 -4.440 0.497 -0.736 1.00 0.00 C ATOM 617 O CYS A 47 -4.407 0.099 -1.899 1.00 0.00 O ATOM 618 CB CYS A 47 -5.288 -1.672 0.151 1.00 0.00 C ATOM 619 SG CYS A 47 -4.960 -2.503 -1.439 1.00 0.00 S ATOM 0 H CYS A 47 -5.683 0.123 1.935 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.337 -0.864 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.189 -2.398 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.320 -1.321 0.163 1.00 0.00 H new ATOM 624 N ARG A 48 -4.557 1.785 -0.399 1.00 0.00 N ATOM 625 CA ARG A 48 -4.660 2.864 -1.389 1.00 0.00 C ATOM 626 C ARG A 48 -4.403 2.379 -2.811 1.00 0.00 C ATOM 627 O ARG A 48 -3.264 2.118 -3.194 1.00 0.00 O ATOM 628 CB ARG A 48 -3.691 3.990 -1.036 1.00 0.00 C ATOM 629 CG ARG A 48 -3.936 4.579 0.340 1.00 0.00 C ATOM 630 CD ARG A 48 -4.590 5.950 0.257 1.00 0.00 C ATOM 631 NE ARG A 48 -4.071 6.743 -0.855 1.00 0.00 N ATOM 632 CZ ARG A 48 -3.016 7.548 -0.761 1.00 0.00 C ATOM 633 NH1 ARG A 48 -2.366 7.663 0.389 1.00 0.00 N ATOM 634 NH2 ARG A 48 -2.609 8.236 -1.818 1.00 0.00 N ATOM 0 H ARG A 48 -4.583 2.110 0.567 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.685 3.234 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.670 3.611 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.774 4.780 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.572 3.907 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.990 4.659 0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.667 5.830 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.425 6.486 1.191 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.545 6.675 -1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.675 7.134 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.557 8.281 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.105 8.149 -2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.800 8.853 -1.744 1.00 0.00 H new ATOM 648 N ARG A 49 -5.480 2.249 -3.585 1.00 0.00 N ATOM 649 CA ARG A 49 -5.382 1.783 -4.965 1.00 0.00 C ATOM 650 C ARG A 49 -6.303 2.579 -5.884 1.00 0.00 C ATOM 651 O ARG A 49 -6.648 2.124 -6.975 1.00 0.00 O ATOM 652 CB ARG A 49 -5.736 0.296 -5.045 1.00 0.00 C ATOM 653 CG ARG A 49 -4.532 -0.624 -4.939 1.00 0.00 C ATOM 654 CD ARG A 49 -4.539 -1.679 -6.033 1.00 0.00 C ATOM 655 NE ARG A 49 -5.325 -2.851 -5.660 1.00 0.00 N ATOM 656 CZ ARG A 49 -5.158 -4.053 -6.202 1.00 0.00 C ATOM 657 NH1 ARG A 49 -4.237 -4.238 -7.138 1.00 0.00 N ATOM 658 NH2 ARG A 49 -5.913 -5.070 -5.810 1.00 0.00 N ATOM 0 H ARG A 49 -6.430 2.460 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.354 1.932 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.438 0.055 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.248 0.103 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.617 -0.036 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.529 -1.110 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.943 -1.248 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.515 -1.983 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.043 -2.741 -4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.656 -3.457 -7.443 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.110 -5.161 -7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.623 -4.931 -5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.783 -5.992 -6.227 1.00 0.00 H new ATOM 672 N ALA A 50 -6.700 3.767 -5.441 1.00 0.00 N ATOM 673 CA ALA A 50 -7.583 4.617 -6.230 1.00 0.00 C ATOM 674 C ALA A 50 -6.837 5.830 -6.776 1.00 0.00 C ATOM 675 O ALA A 50 -5.866 6.293 -6.177 1.00 0.00 O ATOM 676 CB ALA A 50 -8.774 5.061 -5.394 1.00 0.00 C ATOM 0 H ALA A 50 -6.425 4.162 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.944 4.034 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.425 5.695 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.330 4.185 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.422 5.621 -4.528 1.00 0.00 H new ATOM 682 N ARG A 51 -7.297 6.341 -7.913 1.00 0.00 N ATOM 683 CA ARG A 51 -6.673 7.503 -8.535 1.00 0.00 C ATOM 684 C ARG A 51 -7.702 8.610 -8.769 1.00 0.00 C ATOM 685 O ARG A 51 -8.099 9.294 -7.828 1.00 0.00 O ATOM 686 CB ARG A 51 -5.997 7.105 -9.849 1.00 0.00 C ATOM 687 CG ARG A 51 -4.587 6.566 -9.669 1.00 0.00 C ATOM 688 CD ARG A 51 -4.253 5.521 -10.721 1.00 0.00 C ATOM 689 NE ARG A 51 -4.667 4.182 -10.311 1.00 0.00 N ATOM 690 CZ ARG A 51 -4.252 3.069 -10.908 1.00 0.00 C ATOM 691 NH1 ARG A 51 -3.415 3.137 -11.934 1.00 0.00 N ATOM 692 NH2 ARG A 51 -4.673 1.888 -10.477 1.00 0.00 N ATOM 0 H ARG A 51 -8.099 5.969 -8.422 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.911 7.888 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.605 6.349 -10.346 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.964 7.972 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.872 7.386 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.487 6.129 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.743 5.781 -11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.180 5.527 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.310 4.096 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.088 4.044 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.098 2.282 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.316 1.833 -9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.354 1.034 -10.936 1.00 0.00 H new ATOM 706 N GLY A 52 -8.136 8.778 -10.021 1.00 0.00 N ATOM 707 CA GLY A 52 -9.117 9.803 -10.341 1.00 0.00 C ATOM 708 C GLY A 52 -9.007 11.023 -9.446 1.00 0.00 C ATOM 709 O GLY A 52 -8.275 11.964 -9.752 1.00 0.00 O ATOM 0 H GLY A 52 -7.824 8.222 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.991 10.108 -11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.118 9.382 -10.251 1.00 0.00 H new ATOM 713 N ASP A 53 -9.735 11.001 -8.334 1.00 0.00 N ATOM 714 CA ASP A 53 -9.720 12.106 -7.382 1.00 0.00 C ATOM 715 C ASP A 53 -10.073 11.614 -5.983 1.00 0.00 C ATOM 716 O ASP A 53 -10.764 12.298 -5.228 1.00 0.00 O ATOM 717 CB ASP A 53 -10.702 13.194 -7.817 1.00 0.00 C ATOM 718 CG ASP A 53 -10.677 14.398 -6.895 1.00 0.00 C ATOM 719 OD1 ASP A 53 -9.601 15.018 -6.758 1.00 0.00 O ATOM 720 OD2 ASP A 53 -11.733 14.721 -6.311 1.00 0.00 O ATOM 0 H ASP A 53 -10.345 10.227 -8.070 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.714 12.525 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.462 13.512 -8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.710 12.780 -7.843 1.00 0.00 H new ATOM 725 N ASP A 54 -9.598 10.419 -5.646 1.00 0.00 N ATOM 726 CA ASP A 54 -9.866 9.828 -4.339 1.00 0.00 C ATOM 727 C ASP A 54 -8.584 9.305 -3.697 1.00 0.00 C ATOM 728 O ASP A 54 -8.030 9.934 -2.796 1.00 0.00 O ATOM 729 CB ASP A 54 -10.879 8.690 -4.475 1.00 0.00 C ATOM 730 CG ASP A 54 -12.185 9.150 -5.092 1.00 0.00 C ATOM 731 OD1 ASP A 54 -12.553 10.327 -4.895 1.00 0.00 O ATOM 732 OD2 ASP A 54 -12.840 8.333 -5.773 1.00 0.00 O ATOM 0 H ASP A 54 -9.025 9.840 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.278 10.605 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.450 7.897 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.075 8.263 -3.492 1.00 0.00 H new ATOM 737 N LEU A 55 -8.124 8.148 -4.166 1.00 0.00 N ATOM 738 CA LEU A 55 -6.909 7.531 -3.641 1.00 0.00 C ATOM 739 C LEU A 55 -7.117 7.030 -2.216 1.00 0.00 C ATOM 740 O LEU A 55 -6.461 7.497 -1.285 1.00 0.00 O ATOM 741 CB LEU A 55 -5.743 8.523 -3.675 1.00 0.00 C ATOM 742 CG LEU A 55 -5.275 8.929 -5.072 1.00 0.00 C ATOM 743 CD1 LEU A 55 -6.434 9.488 -5.881 1.00 0.00 C ATOM 744 CD2 LEU A 55 -4.147 9.945 -4.981 1.00 0.00 C ATOM 0 H LEU A 55 -8.576 7.617 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.671 6.678 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.035 9.422 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.900 8.087 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.898 8.042 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.082 9.772 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.211 8.730 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.841 10.364 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.826 10.223 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.498 10.832 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.308 9.509 -4.439 1.00 0.00 H new ATOM 756 N ASP A 56 -8.026 6.074 -2.049 1.00 0.00 N ATOM 757 CA ASP A 56 -8.304 5.515 -0.735 1.00 0.00 C ATOM 758 C ASP A 56 -8.348 3.992 -0.793 1.00 0.00 C ATOM 759 O ASP A 56 -8.437 3.404 -1.872 1.00 0.00 O ATOM 760 CB ASP A 56 -9.626 6.062 -0.192 1.00 0.00 C ATOM 761 CG ASP A 56 -9.475 7.448 0.406 1.00 0.00 C ATOM 762 OD1 ASP A 56 -8.597 8.203 -0.060 1.00 0.00 O ATOM 763 OD2 ASP A 56 -10.237 7.777 1.340 1.00 0.00 O ATOM 0 H ASP A 56 -8.580 5.673 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.499 5.810 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.361 6.094 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.013 5.382 0.567 1.00 0.00 H new ATOM 768 N ASP A 57 -8.281 3.365 0.377 1.00 0.00 N ATOM 769 CA ASP A 57 -8.311 1.910 0.479 1.00 0.00 C ATOM 770 C ASP A 57 -7.629 1.450 1.760 1.00 0.00 C ATOM 771 O ASP A 57 -6.637 2.037 2.185 1.00 0.00 O ATOM 772 CB ASP A 57 -7.637 1.267 -0.734 1.00 0.00 C ATOM 773 CG ASP A 57 -8.640 0.738 -1.740 1.00 0.00 C ATOM 774 OD1 ASP A 57 -9.829 1.106 -1.642 1.00 0.00 O ATOM 775 OD2 ASP A 57 -8.236 -0.042 -2.627 1.00 0.00 O ATOM 0 H ASP A 57 -8.205 3.846 1.273 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.354 1.595 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.992 2.000 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.997 0.451 -0.400 1.00 0.00 H new ATOM 780 N TYR A 58 -8.173 0.401 2.371 1.00 0.00 N ATOM 781 CA TYR A 58 -7.623 -0.140 3.611 1.00 0.00 C ATOM 782 C TYR A 58 -6.755 -1.365 3.347 1.00 0.00 C ATOM 783 O TYR A 58 -6.745 -1.903 2.241 1.00 0.00 O ATOM 784 CB TYR A 58 -8.750 -0.498 4.579 1.00 0.00 C ATOM 785 CG TYR A 58 -9.283 0.689 5.346 1.00 0.00 C ATOM 786 CD1 TYR A 58 -8.983 1.985 4.947 1.00 0.00 C ATOM 787 CD2 TYR A 58 -10.083 0.516 6.468 1.00 0.00 C ATOM 788 CE1 TYR A 58 -9.464 3.076 5.644 1.00 0.00 C ATOM 789 CE2 TYR A 58 -10.569 1.602 7.171 1.00 0.00 C ATOM 790 CZ TYR A 58 -10.257 2.880 6.755 1.00 0.00 C ATOM 791 OH TYR A 58 -10.739 3.964 7.453 1.00 0.00 O ATOM 0 H TYR A 58 -8.996 -0.093 2.027 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.995 0.630 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.566 -0.956 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.388 -1.245 5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.363 2.142 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.329 -0.483 6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.220 4.077 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.190 1.451 8.042 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.281 3.652 8.207 1.00 0.00 H new ATOM 801 N CYS A 59 -6.020 -1.799 4.369 1.00 0.00 N ATOM 802 CA CYS A 59 -5.144 -2.955 4.234 1.00 0.00 C ATOM 803 C CYS A 59 -5.404 -3.999 5.322 1.00 0.00 C ATOM 804 O CYS A 59 -4.889 -3.919 6.437 1.00 0.00 O ATOM 805 CB CYS A 59 -3.676 -2.496 4.186 1.00 0.00 C ATOM 806 SG CYS A 59 -2.500 -3.412 5.240 1.00 0.00 S ATOM 0 H CYS A 59 -6.015 -1.369 5.294 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.367 -3.455 3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.332 -2.562 3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.638 -1.444 4.468 1.00 0.00 H new ATOM 811 N ASN A 60 -6.198 -4.999 4.943 1.00 0.00 N ATOM 812 CA ASN A 60 -6.546 -6.120 5.807 1.00 0.00 C ATOM 813 C ASN A 60 -5.701 -7.309 5.378 1.00 0.00 C ATOM 814 O ASN A 60 -4.477 -7.218 5.378 1.00 0.00 O ATOM 815 CB ASN A 60 -8.037 -6.453 5.694 1.00 0.00 C ATOM 816 CG ASN A 60 -8.938 -5.262 5.953 1.00 0.00 C ATOM 817 OD1 ASN A 60 -10.120 -5.283 5.610 1.00 0.00 O ATOM 818 ND2 ASN A 60 -8.392 -4.217 6.558 1.00 0.00 N ATOM 0 H ASN A 60 -6.621 -5.052 4.016 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.350 -5.867 6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.240 -6.844 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.280 -7.245 6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.956 -3.390 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.408 -4.240 6.826 1.00 0.00 H new ATOM 825 N GLY A 61 -6.329 -8.393 4.927 1.00 0.00 N ATOM 826 CA GLY A 61 -5.555 -9.512 4.417 1.00 0.00 C ATOM 827 C GLY A 61 -5.068 -9.164 3.024 1.00 0.00 C ATOM 828 O GLY A 61 -5.349 -9.864 2.051 1.00 0.00 O ATOM 0 H GLY A 61 -7.341 -8.516 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.710 -9.718 5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.166 -10.414 4.390 1.00 0.00 H new ATOM 832 N ILE A 62 -4.396 -8.019 2.943 1.00 0.00 N ATOM 833 CA ILE A 62 -3.914 -7.460 1.700 1.00 0.00 C ATOM 834 C ILE A 62 -2.468 -7.818 1.371 1.00 0.00 C ATOM 835 O ILE A 62 -1.597 -6.951 1.358 1.00 0.00 O ATOM 836 CB ILE A 62 -4.058 -5.921 1.744 1.00 0.00 C ATOM 837 CG1 ILE A 62 -3.409 -5.299 2.989 1.00 0.00 C ATOM 838 CG2 ILE A 62 -5.525 -5.539 1.740 1.00 0.00 C ATOM 839 CD1 ILE A 62 -2.316 -6.110 3.639 1.00 0.00 C ATOM 0 H ILE A 62 -4.171 -7.449 3.759 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.525 -7.898 0.911 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.546 -5.538 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.999 -4.327 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.189 -5.118 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.618 -4.453 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.997 -5.918 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.016 -5.971 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.932 -5.574 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.717 -7.073 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.508 -6.270 2.925 1.00 0.00 H new ATOM 851 N SER A 63 -2.215 -9.082 1.064 1.00 0.00 N ATOM 852 CA SER A 63 -0.869 -9.502 0.700 1.00 0.00 C ATOM 853 C SER A 63 -0.482 -8.892 -0.643 1.00 0.00 C ATOM 854 O SER A 63 -0.262 -9.601 -1.625 1.00 0.00 O ATOM 855 CB SER A 63 -0.778 -11.022 0.636 1.00 0.00 C ATOM 856 OG SER A 63 -1.806 -11.564 -0.175 1.00 0.00 O ATOM 0 H SER A 63 -2.913 -9.826 1.059 1.00 0.00 H new ATOM 0 HA SER A 63 -0.175 -9.151 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.194 -11.314 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.849 -11.436 1.642 1.00 0.00 H new ATOM 0 HG SER A 63 -1.744 -11.187 -1.077 1.00 0.00 H new ATOM 862 N ALA A 64 -0.423 -7.566 -0.669 1.00 0.00 N ATOM 863 CA ALA A 64 -0.089 -6.817 -1.872 1.00 0.00 C ATOM 864 C ALA A 64 -1.331 -6.605 -2.740 1.00 0.00 C ATOM 865 O ALA A 64 -1.243 -6.454 -3.958 1.00 0.00 O ATOM 866 CB ALA A 64 1.017 -7.502 -2.659 1.00 0.00 C ATOM 0 H ALA A 64 -0.606 -6.980 0.145 1.00 0.00 H new ATOM 0 HA ALA A 64 0.282 -5.839 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.244 -6.918 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.910 -7.579 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.691 -8.500 -2.951 1.00 0.00 H new ATOM 872 N GLY A 65 -2.486 -6.588 -2.080 1.00 0.00 N ATOM 873 CA GLY A 65 -3.764 -6.384 -2.748 1.00 0.00 C ATOM 874 C GLY A 65 -4.830 -6.024 -1.733 1.00 0.00 C ATOM 875 O GLY A 65 -4.747 -6.465 -0.602 1.00 0.00 O ATOM 0 H GLY A 65 -2.560 -6.715 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.673 -5.590 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.052 -7.289 -3.284 1.00 0.00 H new ATOM 879 N CYS A 66 -5.813 -5.209 -2.110 1.00 0.00 N ATOM 880 CA CYS A 66 -6.855 -4.787 -1.163 1.00 0.00 C ATOM 881 C CYS A 66 -7.763 -5.939 -0.741 1.00 0.00 C ATOM 882 O CYS A 66 -7.853 -6.960 -1.422 1.00 0.00 O ATOM 883 CB CYS A 66 -7.694 -3.660 -1.765 1.00 0.00 C ATOM 884 SG CYS A 66 -6.701 -2.308 -2.452 1.00 0.00 S ATOM 0 H CYS A 66 -5.914 -4.829 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.344 -4.429 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -8.329 -4.070 -2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -8.356 -3.260 -0.997 1.00 0.00 H new ATOM 889 N PRO A 67 -8.447 -5.779 0.412 1.00 0.00 N ATOM 890 CA PRO A 67 -9.354 -6.802 0.952 1.00 0.00 C ATOM 891 C PRO A 67 -10.438 -7.212 -0.047 1.00 0.00 C ATOM 892 O PRO A 67 -10.159 -7.402 -1.230 1.00 0.00 O ATOM 893 CB PRO A 67 -9.969 -6.118 2.182 1.00 0.00 C ATOM 894 CG PRO A 67 -8.987 -5.066 2.568 1.00 0.00 C ATOM 895 CD PRO A 67 -8.386 -4.586 1.284 1.00 0.00 C ATOM 0 HA PRO A 67 -8.831 -7.730 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.941 -5.684 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.125 -6.830 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.476 -4.250 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.222 -5.468 3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.948 -3.752 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.361 -4.242 1.424 1.00 0.00 H new ATOM 903 N ARG A 68 -11.673 -7.355 0.435 1.00 0.00 N ATOM 904 CA ARG A 68 -12.789 -7.751 -0.418 1.00 0.00 C ATOM 905 C ARG A 68 -13.166 -6.642 -1.396 1.00 0.00 C ATOM 906 O ARG A 68 -13.005 -6.794 -2.607 1.00 0.00 O ATOM 907 CB ARG A 68 -14.002 -8.123 0.437 1.00 0.00 C ATOM 908 CG ARG A 68 -13.921 -9.518 1.034 1.00 0.00 C ATOM 909 CD ARG A 68 -14.908 -10.466 0.371 1.00 0.00 C ATOM 910 NE ARG A 68 -14.690 -11.852 0.774 1.00 0.00 N ATOM 911 CZ ARG A 68 -15.082 -12.349 1.943 1.00 0.00 C ATOM 912 NH1 ARG A 68 -15.707 -11.575 2.819 1.00 0.00 N ATOM 913 NH2 ARG A 68 -14.849 -13.621 2.236 1.00 0.00 N ATOM 0 H ARG A 68 -11.924 -7.202 1.412 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.472 -8.619 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.104 -7.397 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.902 -8.050 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.909 -9.906 0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.124 -9.469 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.925 -10.169 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.817 -10.385 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.210 -12.473 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.888 -10.596 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.007 -11.958 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.368 -14.219 1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.150 -14.001 3.133 1.00 0.00 H new ATOM 927 N ASN A 69 -13.671 -5.530 -0.869 1.00 0.00 N ATOM 928 CA ASN A 69 -14.071 -4.406 -1.712 1.00 0.00 C ATOM 929 C ASN A 69 -14.344 -3.150 -0.892 1.00 0.00 C ATOM 930 O ASN A 69 -13.703 -2.121 -1.095 1.00 0.00 O ATOM 931 CB ASN A 69 -15.305 -4.773 -2.540 1.00 0.00 C ATOM 932 CG ASN A 69 -14.955 -5.587 -3.770 1.00 0.00 C ATOM 933 OD1 ASN A 69 -13.990 -5.288 -4.473 1.00 0.00 O ATOM 934 ND2 ASN A 69 -15.740 -6.625 -4.035 1.00 0.00 N ATOM 0 H ASN A 69 -13.812 -5.383 0.130 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.240 -4.189 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -16.000 -5.338 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.819 -3.861 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.553 -7.211 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.529 -6.836 -3.425 1.00 0.00 H new ATOM 941 N PRO A 70 -15.304 -3.206 0.039 1.00 0.00 N ATOM 942 CA PRO A 70 -15.651 -2.064 0.877 1.00 0.00 C ATOM 943 C PRO A 70 -14.439 -1.220 1.267 1.00 0.00 C ATOM 944 O PRO A 70 -13.815 -1.457 2.301 1.00 0.00 O ATOM 945 CB PRO A 70 -16.251 -2.738 2.102 1.00 0.00 C ATOM 946 CG PRO A 70 -16.924 -3.956 1.567 1.00 0.00 C ATOM 947 CD PRO A 70 -16.138 -4.384 0.350 1.00 0.00 C ATOM 0 HA PRO A 70 -16.314 -1.363 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.481 -2.997 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.960 -2.083 2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.942 -4.749 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.960 -3.742 1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -15.528 -5.263 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.795 -4.640 -0.481 1.00 0.00 H new ATOM 955 N PHE A 71 -14.116 -0.228 0.438 1.00 0.00 N ATOM 956 CA PHE A 71 -12.984 0.657 0.704 1.00 0.00 C ATOM 957 C PHE A 71 -13.391 2.124 0.524 1.00 0.00 C ATOM 958 O PHE A 71 -14.396 2.556 1.088 1.00 0.00 O ATOM 959 CB PHE A 71 -11.808 0.305 -0.209 1.00 0.00 C ATOM 960 CG PHE A 71 -11.501 -1.160 -0.261 1.00 0.00 C ATOM 961 CD1 PHE A 71 -11.530 -1.928 0.891 1.00 0.00 C ATOM 962 CD2 PHE A 71 -11.185 -1.772 -1.463 1.00 0.00 C ATOM 963 CE1 PHE A 71 -11.252 -3.279 0.845 1.00 0.00 C ATOM 964 CE2 PHE A 71 -10.906 -3.123 -1.516 1.00 0.00 C ATOM 965 CZ PHE A 71 -10.940 -3.878 -0.361 1.00 0.00 C ATOM 0 H PHE A 71 -14.622 -0.018 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.671 0.517 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.025 0.657 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.922 0.841 0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.773 -1.465 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -11.157 -1.185 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.278 -3.868 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.662 -3.588 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.723 -4.935 -0.400 1.00 0.00 H new ATOM 975 N HIS A 72 -12.613 2.888 -0.254 1.00 0.00 N ATOM 976 CA HIS A 72 -12.912 4.298 -0.490 1.00 0.00 C ATOM 977 C HIS A 72 -14.415 4.558 -0.471 1.00 0.00 C ATOM 978 O HIS A 72 -15.168 3.964 -1.242 1.00 0.00 O ATOM 979 CB HIS A 72 -12.328 4.741 -1.831 1.00 0.00 C ATOM 980 CG HIS A 72 -12.733 6.127 -2.226 1.00 0.00 C ATOM 981 ND1 HIS A 72 -13.663 6.388 -3.210 1.00 0.00 N ATOM 982 CD2 HIS A 72 -12.336 7.334 -1.757 1.00 0.00 C ATOM 983 CE1 HIS A 72 -13.819 7.694 -3.331 1.00 0.00 C ATOM 984 NE2 HIS A 72 -13.026 8.290 -2.460 1.00 0.00 N ATOM 0 H HIS A 72 -11.775 2.550 -0.728 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.456 4.876 0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.240 4.689 -1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.645 4.043 -2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.612 7.511 -0.976 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.482 8.190 -4.024 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.940 9.298 -2.330 1.00 0.00 H new ATOM 993 N ALA A 73 -14.844 5.451 0.416 1.00 0.00 N ATOM 994 CA ALA A 73 -16.256 5.791 0.537 1.00 0.00 C ATOM 995 C ALA A 73 -17.076 4.585 0.980 1.00 0.00 C ATOM 996 O ALA A 73 -17.410 3.748 0.116 1.00 0.00 O ATOM 997 CB ALA A 73 -16.783 6.333 -0.783 1.00 0.00 C ATOM 998 OXT ALA A 73 -17.376 4.486 2.189 1.00 0.00 O ATOM 0 H ALA A 73 -14.233 5.952 1.061 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.354 6.563 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -17.839 6.583 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.224 7.227 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -16.664 5.578 -1.560 1.00 0.00 H new TER 1004 ALA A 73