USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 496 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 ALA N :NH3+ 159:sc= -2.04! (180deg=-2.63!) USER MOD Single : A 4 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.8!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-3.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 75:sc= 1.2 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.780 8.696 10.899 1.00 0.00 N ATOM 2 CA ALA A 1 6.127 8.565 10.277 1.00 0.00 C ATOM 3 C ALA A 1 6.281 7.161 9.703 1.00 0.00 C ATOM 4 O ALA A 1 6.992 6.955 8.719 1.00 0.00 O ATOM 5 CB ALA A 1 7.204 8.820 11.333 1.00 0.00 C ATOM 0 H1 ALA A 1 4.788 9.480 11.582 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.074 8.888 10.160 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.537 7.812 11.390 1.00 0.00 H new ATOM 0 HA ALA A 1 6.236 9.295 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.190 8.724 10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.087 9.826 11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.104 8.092 12.138 1.00 0.00 H new ATOM 13 N LEU A 2 5.609 6.198 10.327 1.00 0.00 N ATOM 14 CA LEU A 2 5.675 4.813 9.875 1.00 0.00 C ATOM 15 C LEU A 2 4.828 4.622 8.618 1.00 0.00 C ATOM 16 O LEU A 2 4.065 5.507 8.232 1.00 0.00 O ATOM 17 CB LEU A 2 5.183 3.872 10.983 1.00 0.00 C ATOM 18 CG LEU A 2 6.271 3.707 12.048 1.00 0.00 C ATOM 19 CD1 LEU A 2 6.610 5.068 12.664 1.00 0.00 C ATOM 20 CD2 LEU A 2 5.768 2.762 13.142 1.00 0.00 C ATOM 0 H LEU A 2 5.016 6.350 11.143 1.00 0.00 H new ATOM 0 HA LEU A 2 6.712 4.575 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.276 4.272 11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.926 2.901 10.560 1.00 0.00 H new ATOM 0 HG LEU A 2 7.167 3.292 11.586 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.385 4.942 13.421 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.969 5.741 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.718 5.491 13.125 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.540 2.642 13.902 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.871 3.179 13.599 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.535 1.791 12.705 1.00 0.00 H new ATOM 32 N GLU A 3 4.974 3.462 7.984 1.00 0.00 N ATOM 33 CA GLU A 3 4.223 3.160 6.767 1.00 0.00 C ATOM 34 C GLU A 3 2.780 3.643 6.893 1.00 0.00 C ATOM 35 O GLU A 3 1.985 3.063 7.634 1.00 0.00 O ATOM 36 CB GLU A 3 4.232 1.653 6.509 1.00 0.00 C ATOM 37 CG GLU A 3 5.652 1.198 6.174 1.00 0.00 C ATOM 38 CD GLU A 3 5.687 -0.318 6.000 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.634 -0.927 6.074 1.00 0.00 O ATOM 40 OE2 GLU A 3 6.768 -0.845 5.795 1.00 0.00 O ATOM 0 H GLU A 3 5.602 2.718 8.290 1.00 0.00 H new ATOM 0 HA GLU A 3 4.698 3.677 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.867 1.121 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.558 1.411 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.993 1.685 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.336 1.497 6.969 1.00 0.00 H new ATOM 47 N ASN A 4 2.449 4.711 6.167 1.00 0.00 N ATOM 48 CA ASN A 4 1.099 5.278 6.204 1.00 0.00 C ATOM 49 C ASN A 4 0.334 4.944 4.927 1.00 0.00 C ATOM 50 O ASN A 4 -0.424 5.768 4.418 1.00 0.00 O ATOM 51 CB ASN A 4 1.177 6.799 6.365 1.00 0.00 C ATOM 52 CG ASN A 4 -0.186 7.349 6.772 1.00 0.00 C ATOM 53 OD1 ASN A 4 -0.911 6.707 7.530 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.579 8.506 6.312 1.00 0.00 N ATOM 0 H ASN A 4 3.095 5.201 5.547 1.00 0.00 H new ATOM 0 HA ASN A 4 0.571 4.844 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.922 7.056 7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.499 7.256 5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.489 8.879 6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.024 9.037 5.683 1.00 0.00 H new ATOM 61 N LEU A 5 0.532 3.728 4.417 1.00 0.00 N ATOM 62 CA LEU A 5 -0.153 3.282 3.199 1.00 0.00 C ATOM 63 C LEU A 5 -1.143 2.167 3.524 1.00 0.00 C ATOM 64 O LEU A 5 -2.357 2.367 3.465 1.00 0.00 O ATOM 65 CB LEU A 5 0.872 2.785 2.167 1.00 0.00 C ATOM 66 CG LEU A 5 0.158 2.204 0.934 1.00 0.00 C ATOM 67 CD1 LEU A 5 -0.802 3.244 0.335 1.00 0.00 C ATOM 68 CD2 LEU A 5 1.204 1.815 -0.116 1.00 0.00 C ATOM 0 H LEU A 5 1.159 3.035 4.825 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.700 4.127 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.521 3.607 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.510 2.024 2.617 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.414 1.326 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.300 2.820 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.548 3.522 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.240 4.129 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.704 1.403 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.775 2.697 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.879 1.068 0.302 1.00 0.00 H new ATOM 80 N VAL A 6 -0.618 0.993 3.853 1.00 0.00 N ATOM 81 CA VAL A 6 -1.468 -0.148 4.171 1.00 0.00 C ATOM 82 C VAL A 6 -2.355 0.167 5.372 1.00 0.00 C ATOM 83 O VAL A 6 -3.561 -0.080 5.348 1.00 0.00 O ATOM 84 CB VAL A 6 -0.604 -1.374 4.475 1.00 0.00 C ATOM 85 CG1 VAL A 6 0.279 -1.097 5.697 1.00 0.00 C ATOM 86 CG2 VAL A 6 -1.508 -2.578 4.757 1.00 0.00 C ATOM 0 H VAL A 6 0.383 0.806 3.906 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.103 -0.359 3.310 1.00 0.00 H new ATOM 0 HB VAL A 6 0.031 -1.589 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.892 -1.973 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.925 -0.243 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.351 -0.878 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.893 -3.452 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.146 -2.361 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.129 -2.779 3.884 1.00 0.00 H new ATOM 96 N VAL A 7 -1.751 0.714 6.420 1.00 0.00 N ATOM 97 CA VAL A 7 -2.497 1.061 7.624 1.00 0.00 C ATOM 98 C VAL A 7 -3.513 2.156 7.324 1.00 0.00 C ATOM 99 O VAL A 7 -4.640 2.124 7.820 1.00 0.00 O ATOM 100 CB VAL A 7 -1.536 1.529 8.718 1.00 0.00 C ATOM 101 CG1 VAL A 7 -0.810 2.795 8.260 1.00 0.00 C ATOM 102 CG2 VAL A 7 -2.327 1.829 9.995 1.00 0.00 C ATOM 0 H VAL A 7 -0.754 0.926 6.461 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.030 0.175 7.970 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.804 0.746 8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.126 3.125 9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.247 2.583 7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.539 3.580 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.644 2.163 10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.059 2.611 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.842 0.927 10.325 1.00 0.00 H new ATOM 112 N LEU A 8 -3.107 3.137 6.523 1.00 0.00 N ATOM 113 CA LEU A 8 -3.993 4.243 6.183 1.00 0.00 C ATOM 114 C LEU A 8 -5.224 3.730 5.441 1.00 0.00 C ATOM 115 O LEU A 8 -6.348 4.140 5.728 1.00 0.00 O ATOM 116 CB LEU A 8 -3.250 5.255 5.303 1.00 0.00 C ATOM 117 CG LEU A 8 -4.118 6.507 5.086 1.00 0.00 C ATOM 118 CD1 LEU A 8 -4.324 7.258 6.417 1.00 0.00 C ATOM 119 CD2 LEU A 8 -3.429 7.424 4.067 1.00 0.00 C ATOM 0 H LEU A 8 -2.180 3.188 6.101 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.312 4.728 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.307 5.534 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.005 4.802 4.342 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.095 6.206 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.940 8.141 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.821 6.602 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.357 7.563 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.038 8.314 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.450 7.718 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.309 6.893 3.123 1.00 0.00 H new ATOM 131 N ASN A 9 -5.008 2.836 4.480 1.00 0.00 N ATOM 132 CA ASN A 9 -6.115 2.285 3.706 1.00 0.00 C ATOM 133 C ASN A 9 -7.051 1.483 4.605 1.00 0.00 C ATOM 134 O ASN A 9 -8.271 1.628 4.538 1.00 0.00 O ATOM 135 CB ASN A 9 -5.576 1.377 2.600 1.00 0.00 C ATOM 136 CG ASN A 9 -6.734 0.753 1.827 1.00 0.00 C ATOM 137 OD1 ASN A 9 -7.051 -0.421 2.022 1.00 0.00 O ATOM 138 ND2 ASN A 9 -7.388 1.473 0.958 1.00 0.00 N ATOM 0 H ASN A 9 -4.087 2.481 4.221 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.670 3.112 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.943 1.951 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.953 0.594 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.164 1.064 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.123 2.445 0.799 1.00 0.00 H new ATOM 145 N ALA A 10 -6.466 0.644 5.453 1.00 0.00 N ATOM 146 CA ALA A 10 -7.252 -0.171 6.373 1.00 0.00 C ATOM 147 C ALA A 10 -7.884 0.704 7.448 1.00 0.00 C ATOM 148 O ALA A 10 -8.926 0.367 8.006 1.00 0.00 O ATOM 149 CB ALA A 10 -6.362 -1.230 7.028 1.00 0.00 C ATOM 0 H ALA A 10 -5.457 0.511 5.523 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.043 -0.666 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.958 -1.833 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.933 -1.872 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.560 -0.740 7.580 1.00 0.00 H new ATOM 155 N ALA A 11 -7.242 1.834 7.723 1.00 0.00 N ATOM 156 CA ALA A 11 -7.743 2.762 8.730 1.00 0.00 C ATOM 157 C ALA A 11 -8.938 3.542 8.192 1.00 0.00 C ATOM 158 O ALA A 11 -9.706 4.124 8.958 1.00 0.00 O ATOM 159 CB ALA A 11 -6.639 3.739 9.140 1.00 0.00 C ATOM 0 H ALA A 11 -6.379 2.128 7.266 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.059 2.186 9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.024 4.428 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.797 3.184 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.309 4.302 8.267 1.00 0.00 H new ATOM 165 N SER A 12 -9.088 3.545 6.872 1.00 0.00 N ATOM 166 CA SER A 12 -10.197 4.254 6.245 1.00 0.00 C ATOM 167 C SER A 12 -11.525 3.627 6.654 1.00 0.00 C ATOM 168 O SER A 12 -12.441 4.322 7.096 1.00 0.00 O ATOM 169 CB SER A 12 -10.055 4.213 4.725 1.00 0.00 C ATOM 170 OG SER A 12 -11.117 4.949 4.135 1.00 0.00 O ATOM 0 H SER A 12 -8.463 3.070 6.221 1.00 0.00 H new ATOM 0 HA SER A 12 -10.177 5.292 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.095 4.634 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.073 3.181 4.374 1.00 0.00 H new ATOM 0 HG SER A 12 -11.028 4.926 3.159 1.00 0.00 H new ATOM 176 N VAL A 13 -11.621 2.310 6.502 1.00 0.00 N ATOM 177 CA VAL A 13 -12.840 1.583 6.852 1.00 0.00 C ATOM 178 C VAL A 13 -12.789 1.082 8.294 1.00 0.00 C ATOM 179 O VAL A 13 -13.825 0.794 8.892 1.00 0.00 O ATOM 180 CB VAL A 13 -13.031 0.399 5.906 1.00 0.00 C ATOM 181 CG1 VAL A 13 -11.863 -0.578 6.059 1.00 0.00 C ATOM 182 CG2 VAL A 13 -14.340 -0.316 6.249 1.00 0.00 C ATOM 0 H VAL A 13 -10.870 1.723 6.139 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.681 2.270 6.755 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.067 0.759 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.003 -1.421 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.930 -0.070 5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.823 -0.940 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.480 -1.162 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.300 -0.674 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.173 0.378 6.138 1.00 0.00 H new ATOM 192 N ALA A 14 -11.583 0.973 8.848 1.00 0.00 N ATOM 193 CA ALA A 14 -11.421 0.500 10.226 1.00 0.00 C ATOM 194 C ALA A 14 -11.378 1.670 11.204 1.00 0.00 C ATOM 195 O ALA A 14 -12.363 1.953 11.886 1.00 0.00 O ATOM 196 CB ALA A 14 -10.134 -0.319 10.351 1.00 0.00 C ATOM 0 H ALA A 14 -10.711 1.202 8.372 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.278 -0.127 10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.022 -0.666 11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.182 -1.177 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.280 0.303 10.083 1.00 0.00 H new ATOM 202 N GLY A 15 -10.233 2.344 11.280 1.00 0.00 N ATOM 203 CA GLY A 15 -10.093 3.468 12.198 1.00 0.00 C ATOM 204 C GLY A 15 -11.034 4.607 11.824 1.00 0.00 C ATOM 205 O GLY A 15 -11.971 4.423 11.047 1.00 0.00 O ATOM 0 H GLY A 15 -9.402 2.135 10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.304 3.138 13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.063 3.825 12.185 1.00 0.00 H new ATOM 209 N ALA A 16 -10.772 5.787 12.382 1.00 0.00 N ATOM 210 CA ALA A 16 -11.592 6.966 12.106 1.00 0.00 C ATOM 211 C ALA A 16 -11.049 7.759 10.921 1.00 0.00 C ATOM 212 O ALA A 16 -11.626 8.771 10.535 1.00 0.00 O ATOM 213 CB ALA A 16 -11.653 7.862 13.345 1.00 0.00 C ATOM 0 H ALA A 16 -10.000 5.953 13.027 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.595 6.624 11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.266 8.738 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.091 7.307 14.174 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.646 8.181 13.614 1.00 0.00 H new ATOM 219 N HIS A 17 -9.934 7.306 10.356 1.00 0.00 N ATOM 220 CA HIS A 17 -9.321 8.004 9.227 1.00 0.00 C ATOM 221 C HIS A 17 -10.378 8.481 8.228 1.00 0.00 C ATOM 222 O HIS A 17 -10.116 9.371 7.419 1.00 0.00 O ATOM 223 CB HIS A 17 -8.322 7.080 8.523 1.00 0.00 C ATOM 224 CG HIS A 17 -7.771 7.763 7.301 1.00 0.00 C ATOM 225 ND1 HIS A 17 -7.244 9.045 7.343 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.664 7.357 5.994 1.00 0.00 C ATOM 227 CE1 HIS A 17 -6.847 9.361 6.096 1.00 0.00 C ATOM 228 NE2 HIS A 17 -7.080 8.366 5.235 1.00 0.00 N ATOM 0 H HIS A 17 -9.439 6.466 10.657 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.800 8.879 9.614 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.511 6.821 9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.811 6.148 8.241 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.985 6.399 5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.395 10.304 5.825 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.874 8.350 4.236 1.00 0.00 H new ATOM 236 N GLY A 18 -11.568 7.892 8.293 1.00 0.00 N ATOM 237 CA GLY A 18 -12.647 8.281 7.389 1.00 0.00 C ATOM 238 C GLY A 18 -13.121 9.703 7.685 1.00 0.00 C ATOM 239 O GLY A 18 -13.249 10.528 6.780 1.00 0.00 O ATOM 0 H GLY A 18 -11.809 7.153 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.303 8.216 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.481 7.587 7.492 1.00 0.00 H new ATOM 243 N ILE A 19 -13.392 9.972 8.957 1.00 0.00 N ATOM 244 CA ILE A 19 -13.870 11.290 9.367 1.00 0.00 C ATOM 245 C ILE A 19 -12.988 12.389 8.782 1.00 0.00 C ATOM 246 O ILE A 19 -13.443 13.511 8.558 1.00 0.00 O ATOM 247 CB ILE A 19 -13.878 11.401 10.907 1.00 0.00 C ATOM 248 CG1 ILE A 19 -14.769 12.574 11.338 1.00 0.00 C ATOM 249 CG2 ILE A 19 -12.450 11.639 11.429 1.00 0.00 C ATOM 250 CD1 ILE A 19 -14.959 12.536 12.855 1.00 0.00 C ATOM 0 H ILE A 19 -13.290 9.301 9.719 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.886 11.414 8.991 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.265 10.470 11.322 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.314 13.519 11.041 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.736 12.514 10.838 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.468 11.716 12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.811 10.806 11.134 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.058 12.564 11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -15.592 13.368 13.163 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.432 11.596 13.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.989 12.617 13.345 1.00 0.00 H new ATOM 262 N LEU A 20 -11.721 12.068 8.545 1.00 0.00 N ATOM 263 CA LEU A 20 -10.802 13.055 7.994 1.00 0.00 C ATOM 264 C LEU A 20 -11.215 13.436 6.573 1.00 0.00 C ATOM 265 O LEU A 20 -11.238 14.611 6.213 1.00 0.00 O ATOM 266 CB LEU A 20 -9.371 12.495 8.003 1.00 0.00 C ATOM 267 CG LEU A 20 -8.352 13.514 7.444 1.00 0.00 C ATOM 268 CD1 LEU A 20 -8.445 13.608 5.903 1.00 0.00 C ATOM 269 CD2 LEU A 20 -8.576 14.902 8.066 1.00 0.00 C ATOM 0 H LEU A 20 -11.313 11.150 8.722 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.836 13.952 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.093 12.225 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.334 11.582 7.409 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.355 13.163 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.717 14.332 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.236 12.632 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.448 13.926 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.849 15.605 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.583 15.247 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.455 14.840 9.147 1.00 0.00 H new ATOM 281 N SER A 21 -11.542 12.425 5.776 1.00 0.00 N ATOM 282 CA SER A 21 -11.953 12.654 4.394 1.00 0.00 C ATOM 283 C SER A 21 -13.193 13.541 4.338 1.00 0.00 C ATOM 284 O SER A 21 -13.270 14.464 3.527 1.00 0.00 O ATOM 285 CB SER A 21 -12.239 11.319 3.706 1.00 0.00 C ATOM 286 OG SER A 21 -11.068 10.514 3.741 1.00 0.00 O ATOM 0 H SER A 21 -11.531 11.445 6.059 1.00 0.00 H new ATOM 0 HA SER A 21 -11.141 13.161 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.061 10.807 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.548 11.487 2.674 1.00 0.00 H new ATOM 0 HG SER A 21 -11.247 9.656 3.302 1.00 0.00 H new ATOM 292 N PHE A 22 -14.156 13.259 5.207 1.00 0.00 N ATOM 293 CA PHE A 22 -15.386 14.042 5.247 1.00 0.00 C ATOM 294 C PHE A 22 -15.086 15.500 5.590 1.00 0.00 C ATOM 295 O PHE A 22 -15.690 16.414 5.029 1.00 0.00 O ATOM 296 CB PHE A 22 -16.351 13.450 6.281 1.00 0.00 C ATOM 297 CG PHE A 22 -16.999 12.204 5.720 1.00 0.00 C ATOM 298 CD1 PHE A 22 -18.121 12.324 4.889 1.00 0.00 C ATOM 299 CD2 PHE A 22 -16.486 10.938 6.024 1.00 0.00 C ATOM 300 CE1 PHE A 22 -18.728 11.177 4.364 1.00 0.00 C ATOM 301 CE2 PHE A 22 -17.094 9.792 5.500 1.00 0.00 C ATOM 302 CZ PHE A 22 -18.214 9.910 4.670 1.00 0.00 C ATOM 0 H PHE A 22 -14.111 12.501 5.888 1.00 0.00 H new ATOM 0 HA PHE A 22 -15.850 14.006 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -15.814 13.210 7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -17.115 14.183 6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -18.517 13.301 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -15.620 10.846 6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -19.592 11.269 3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -16.698 8.815 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 22 -18.682 9.025 4.265 1.00 0.00 H new ATOM 312 N LEU A 23 -14.156 15.711 6.514 1.00 0.00 N ATOM 313 CA LEU A 23 -13.787 17.062 6.924 1.00 0.00 C ATOM 314 C LEU A 23 -13.228 17.852 5.746 1.00 0.00 C ATOM 315 O LEU A 23 -13.513 19.039 5.593 1.00 0.00 O ATOM 316 CB LEU A 23 -12.743 17.005 8.051 1.00 0.00 C ATOM 317 CG LEU A 23 -12.332 18.444 8.480 1.00 0.00 C ATOM 318 CD1 LEU A 23 -12.215 18.531 10.007 1.00 0.00 C ATOM 319 CD2 LEU A 23 -10.972 18.815 7.865 1.00 0.00 C ATOM 0 H LEU A 23 -13.645 14.968 6.992 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.684 17.565 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.150 16.466 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.865 16.454 7.715 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.099 19.134 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.927 19.543 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.175 18.285 10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.459 17.827 10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.696 19.824 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.214 18.111 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.041 18.774 6.778 1.00 0.00 H new ATOM 331 N VAL A 24 -12.438 17.186 4.908 1.00 0.00 N ATOM 332 CA VAL A 24 -11.858 17.840 3.739 1.00 0.00 C ATOM 333 C VAL A 24 -12.952 18.179 2.734 1.00 0.00 C ATOM 334 O VAL A 24 -12.964 19.264 2.151 1.00 0.00 O ATOM 335 CB VAL A 24 -10.820 16.926 3.084 1.00 0.00 C ATOM 336 CG1 VAL A 24 -10.314 17.561 1.784 1.00 0.00 C ATOM 337 CG2 VAL A 24 -9.640 16.723 4.040 1.00 0.00 C ATOM 0 H VAL A 24 -12.187 16.203 5.015 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.369 18.760 4.060 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.282 15.964 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.575 16.906 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.150 17.704 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.856 18.525 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.901 16.072 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.184 17.687 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.995 16.265 4.964 1.00 0.00 H new ATOM 347 N PHE A 25 -13.866 17.234 2.535 1.00 0.00 N ATOM 348 CA PHE A 25 -14.966 17.429 1.599 1.00 0.00 C ATOM 349 C PHE A 25 -15.858 18.580 2.052 1.00 0.00 C ATOM 350 O PHE A 25 -16.258 19.421 1.247 1.00 0.00 O ATOM 351 CB PHE A 25 -15.800 16.150 1.483 1.00 0.00 C ATOM 352 CG PHE A 25 -16.802 16.313 0.366 1.00 0.00 C ATOM 353 CD1 PHE A 25 -16.457 15.948 -0.940 1.00 0.00 C ATOM 354 CD2 PHE A 25 -18.075 16.833 0.633 1.00 0.00 C ATOM 355 CE1 PHE A 25 -17.382 16.100 -1.979 1.00 0.00 C ATOM 356 CE2 PHE A 25 -19.000 16.987 -0.405 1.00 0.00 C ATOM 357 CZ PHE A 25 -18.654 16.620 -1.711 1.00 0.00 C ATOM 0 H PHE A 25 -13.866 16.330 3.007 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.543 17.671 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -15.153 15.296 1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -16.314 15.950 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -15.475 15.548 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -18.342 17.115 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -17.115 15.817 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -19.981 17.389 -0.199 1.00 0.00 H new ATOM 0 HZ PHE A 25 -19.369 16.738 -2.512 1.00 0.00 H new ATOM 367 N PHE A 26 -16.167 18.611 3.345 1.00 0.00 N ATOM 368 CA PHE A 26 -17.014 19.665 3.893 1.00 0.00 C ATOM 369 C PHE A 26 -16.340 21.026 3.721 1.00 0.00 C ATOM 370 O PHE A 26 -16.989 22.011 3.379 1.00 0.00 O ATOM 371 CB PHE A 26 -17.304 19.381 5.390 1.00 0.00 C ATOM 372 CG PHE A 26 -18.798 19.356 5.643 1.00 0.00 C ATOM 373 CD1 PHE A 26 -19.525 18.177 5.435 1.00 0.00 C ATOM 374 CD2 PHE A 26 -19.453 20.515 6.073 1.00 0.00 C ATOM 375 CE1 PHE A 26 -20.907 18.158 5.661 1.00 0.00 C ATOM 376 CE2 PHE A 26 -20.835 20.496 6.299 1.00 0.00 C ATOM 377 CZ PHE A 26 -21.561 19.318 6.092 1.00 0.00 C ATOM 0 H PHE A 26 -15.847 17.924 4.028 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.960 19.682 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.864 18.426 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.837 20.147 6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.020 17.283 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.893 21.425 6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.468 17.249 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -21.340 21.390 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.627 19.304 6.265 1.00 0.00 H new ATOM 387 N SER A 27 -15.036 21.070 3.970 1.00 0.00 N ATOM 388 CA SER A 27 -14.290 22.317 3.849 1.00 0.00 C ATOM 389 C SER A 27 -14.496 22.926 2.466 1.00 0.00 C ATOM 390 O SER A 27 -14.668 24.138 2.331 1.00 0.00 O ATOM 391 CB SER A 27 -12.801 22.057 4.075 1.00 0.00 C ATOM 392 OG SER A 27 -12.612 21.497 5.367 1.00 0.00 O ATOM 0 H SER A 27 -14.478 20.265 4.254 1.00 0.00 H new ATOM 0 HA SER A 27 -14.655 23.015 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.419 21.378 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.240 22.987 3.984 1.00 0.00 H new ATOM 0 HG SER A 27 -12.896 20.559 5.362 1.00 0.00 H new ATOM 398 N ALA A 28 -14.483 22.081 1.440 1.00 0.00 N ATOM 399 CA ALA A 28 -14.680 22.553 0.075 1.00 0.00 C ATOM 400 C ALA A 28 -16.155 22.850 -0.180 1.00 0.00 C ATOM 401 O ALA A 28 -16.499 23.863 -0.791 1.00 0.00 O ATOM 402 CB ALA A 28 -14.185 21.499 -0.919 1.00 0.00 C ATOM 0 H ALA A 28 -14.339 21.075 1.527 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.109 23.472 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.336 21.859 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.124 21.313 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.742 20.573 -0.776 1.00 0.00 H new ATOM 408 N ALA A 29 -17.023 21.958 0.290 1.00 0.00 N ATOM 409 CA ALA A 29 -18.459 22.129 0.104 1.00 0.00 C ATOM 410 C ALA A 29 -18.950 23.394 0.802 1.00 0.00 C ATOM 411 O ALA A 29 -19.810 24.108 0.285 1.00 0.00 O ATOM 412 CB ALA A 29 -19.206 20.918 0.663 1.00 0.00 C ATOM 0 H ALA A 29 -16.758 21.115 0.799 1.00 0.00 H new ATOM 0 HA ALA A 29 -18.655 22.219 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -20.278 21.054 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.882 20.018 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.992 20.818 1.727 1.00 0.00 H new ATOM 418 N TRP A 30 -18.394 23.668 1.978 1.00 0.00 N ATOM 419 CA TRP A 30 -18.776 24.851 2.741 1.00 0.00 C ATOM 420 C TRP A 30 -18.496 26.111 1.931 1.00 0.00 C ATOM 421 O TRP A 30 -19.184 27.120 2.070 1.00 0.00 O ATOM 422 CB TRP A 30 -17.993 24.904 4.053 1.00 0.00 C ATOM 423 CG TRP A 30 -18.464 26.069 4.863 1.00 0.00 C ATOM 424 CD1 TRP A 30 -17.935 27.315 4.813 1.00 0.00 C ATOM 425 CD2 TRP A 30 -19.545 26.121 5.838 1.00 0.00 C ATOM 426 NE1 TRP A 30 -18.623 28.126 5.696 1.00 0.00 N ATOM 427 CE2 TRP A 30 -19.625 27.437 6.351 1.00 0.00 C ATOM 428 CE3 TRP A 30 -20.454 25.164 6.322 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -20.574 27.790 7.311 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -21.411 25.516 7.288 1.00 0.00 C ATOM 431 CH2 TRP A 30 -21.471 26.827 7.781 1.00 0.00 C ATOM 0 H TRP A 30 -17.681 23.090 2.422 1.00 0.00 H new ATOM 0 HA TRP A 30 -19.842 24.795 2.960 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -18.133 23.978 4.611 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -16.926 24.995 3.850 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -17.111 27.624 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -18.416 29.113 5.846 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -20.416 24.151 5.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -20.615 28.801 7.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -22.104 24.773 7.653 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -22.209 27.092 8.523 1.00 0.00 H new ATOM 442 N TYR A 31 -17.476 26.035 1.085 1.00 0.00 N ATOM 443 CA TYR A 31 -17.096 27.166 0.247 1.00 0.00 C ATOM 444 C TYR A 31 -18.310 27.686 -0.515 1.00 0.00 C ATOM 445 O TYR A 31 -18.288 28.788 -1.066 1.00 0.00 O ATOM 446 CB TYR A 31 -16.006 26.755 -0.745 1.00 0.00 C ATOM 447 CG TYR A 31 -15.408 27.992 -1.370 1.00 0.00 C ATOM 448 CD1 TYR A 31 -14.341 28.644 -0.738 1.00 0.00 C ATOM 449 CD2 TYR A 31 -15.918 28.491 -2.574 1.00 0.00 C ATOM 450 CE1 TYR A 31 -13.785 29.794 -1.311 1.00 0.00 C ATOM 451 CE2 TYR A 31 -15.363 29.641 -3.148 1.00 0.00 C ATOM 452 CZ TYR A 31 -14.296 30.292 -2.515 1.00 0.00 C ATOM 453 OH TYR A 31 -13.748 31.427 -3.079 1.00 0.00 O ATOM 0 H TYR A 31 -16.898 25.204 0.961 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.709 27.956 0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.232 26.181 -0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -16.425 26.110 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.947 28.259 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -16.741 27.988 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.962 30.297 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.757 30.026 -4.077 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.218 31.637 -3.913 1.00 0.00 H new ATOM 463 N ILE A 32 -19.367 26.881 -0.544 1.00 0.00 N ATOM 464 CA ILE A 32 -20.591 27.259 -1.239 1.00 0.00 C ATOM 465 C ILE A 32 -21.271 28.433 -0.528 1.00 0.00 C ATOM 466 O ILE A 32 -22.101 29.129 -1.112 1.00 0.00 O ATOM 467 CB ILE A 32 -21.548 26.055 -1.332 1.00 0.00 C ATOM 468 CG1 ILE A 32 -22.624 26.315 -2.414 1.00 0.00 C ATOM 469 CG2 ILE A 32 -22.227 25.824 0.026 1.00 0.00 C ATOM 470 CD1 ILE A 32 -22.102 25.893 -3.795 1.00 0.00 C ATOM 0 H ILE A 32 -19.400 25.965 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 32 -20.332 27.574 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 32 -20.975 25.169 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -23.531 25.760 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -22.890 27.372 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -22.903 24.972 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -21.468 25.624 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -22.793 26.713 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -22.869 26.081 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -21.208 26.467 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.859 24.831 -3.783 1.00 0.00 H new ATOM 482 N LYS A 33 -20.916 28.644 0.735 1.00 0.00 N ATOM 483 CA LYS A 33 -21.493 29.728 1.525 1.00 0.00 C ATOM 484 C LYS A 33 -21.615 31.024 0.723 1.00 0.00 C ATOM 485 O LYS A 33 -22.708 31.568 0.574 1.00 0.00 O ATOM 486 CB LYS A 33 -20.615 29.993 2.774 1.00 0.00 C ATOM 487 CG LYS A 33 -19.093 29.876 2.439 1.00 0.00 C ATOM 488 CD LYS A 33 -18.390 31.228 2.614 1.00 0.00 C ATOM 489 CE LYS A 33 -16.900 31.066 2.307 1.00 0.00 C ATOM 490 NZ LYS A 33 -16.217 32.382 2.454 1.00 0.00 N ATOM 0 H LYS A 33 -20.230 28.078 1.235 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.494 29.414 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.827 30.988 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.872 29.281 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.629 29.133 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.968 29.526 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.832 31.970 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.526 31.593 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.456 30.336 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.766 30.685 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.204 32.273 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.635 33.066 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.335 32.727 3.428 1.00 0.00 H new ATOM 504 N GLY A 34 -20.491 31.513 0.209 1.00 0.00 N ATOM 505 CA GLY A 34 -20.488 32.749 -0.572 1.00 0.00 C ATOM 506 C GLY A 34 -21.037 33.937 0.229 1.00 0.00 C ATOM 507 O GLY A 34 -20.873 35.088 -0.174 1.00 0.00 O ATOM 0 H GLY A 34 -19.575 31.077 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.471 32.970 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.087 32.611 -1.472 1.00 0.00 H new ATOM 511 N ARG A 35 -21.703 33.656 1.353 1.00 0.00 N ATOM 512 CA ARG A 35 -22.287 34.712 2.186 1.00 0.00 C ATOM 513 C ARG A 35 -21.855 34.565 3.642 1.00 0.00 C ATOM 514 O ARG A 35 -22.663 34.224 4.506 1.00 0.00 O ATOM 515 CB ARG A 35 -23.814 34.641 2.112 1.00 0.00 C ATOM 516 CG ARG A 35 -24.264 34.811 0.659 1.00 0.00 C ATOM 517 CD ARG A 35 -25.789 34.903 0.603 1.00 0.00 C ATOM 518 NE ARG A 35 -26.388 33.674 1.113 1.00 0.00 N ATOM 519 CZ ARG A 35 -26.366 32.549 0.405 1.00 0.00 C ATOM 520 NH1 ARG A 35 -25.800 32.527 -0.770 1.00 0.00 N ATOM 521 NH2 ARG A 35 -26.911 31.464 0.887 1.00 0.00 N ATOM 0 H ARG A 35 -21.851 32.711 1.706 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.935 35.673 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.163 33.685 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.255 35.420 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.819 35.710 0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.918 33.969 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.131 35.754 1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.113 35.075 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 35 -26.832 33.678 2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.374 33.374 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -25.784 31.663 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -27.353 31.480 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -26.894 30.601 0.344 1.00 0.00 H new ATOM 535 N LEU A 36 -20.580 34.834 3.913 1.00 0.00 N ATOM 536 CA LEU A 36 -20.065 34.738 5.279 1.00 0.00 C ATOM 537 C LEU A 36 -18.881 35.693 5.448 1.00 0.00 C ATOM 538 O LEU A 36 -17.870 35.567 4.758 1.00 0.00 O ATOM 539 CB LEU A 36 -19.642 33.282 5.569 1.00 0.00 C ATOM 540 CG LEU A 36 -19.821 32.946 7.064 1.00 0.00 C ATOM 541 CD1 LEU A 36 -19.028 33.949 7.906 1.00 0.00 C ATOM 542 CD2 LEU A 36 -21.320 32.982 7.452 1.00 0.00 C ATOM 0 H LEU A 36 -19.891 35.117 3.216 1.00 0.00 H new ATOM 0 HA LEU A 36 -20.842 35.021 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -20.238 32.598 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.601 33.137 5.281 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.446 31.940 7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -19.152 33.715 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.972 33.890 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -19.395 34.957 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -21.428 32.743 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -21.721 33.978 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -21.868 32.251 6.857 1.00 0.00 H new ATOM 554 N ALA A 37 -19.015 36.653 6.362 1.00 0.00 N ATOM 555 CA ALA A 37 -17.950 37.627 6.597 1.00 0.00 C ATOM 556 C ALA A 37 -16.856 37.022 7.483 1.00 0.00 C ATOM 557 O ALA A 37 -17.099 36.067 8.219 1.00 0.00 O ATOM 558 CB ALA A 37 -18.541 38.891 7.256 1.00 0.00 C ATOM 0 H ALA A 37 -19.842 36.777 6.947 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.501 37.900 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.746 39.616 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -19.292 39.327 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.003 38.624 8.206 1.00 0.00 H new ATOM 564 N PRO A 38 -15.667 37.565 7.434 1.00 0.00 N ATOM 565 CA PRO A 38 -14.522 37.067 8.254 1.00 0.00 C ATOM 566 C PRO A 38 -14.781 37.235 9.751 1.00 0.00 C ATOM 567 O PRO A 38 -15.850 37.690 10.158 1.00 0.00 O ATOM 568 CB PRO A 38 -13.331 37.923 7.783 1.00 0.00 C ATOM 569 CG PRO A 38 -13.945 39.153 7.193 1.00 0.00 C ATOM 570 CD PRO A 38 -15.281 38.714 6.599 1.00 0.00 C ATOM 0 HA PRO A 38 -14.348 35.999 8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.671 38.172 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.729 37.390 7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.090 39.920 7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.300 39.582 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.023 39.511 6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.181 38.433 5.551 1.00 0.00 H new ATOM 578 N GLY A 39 -13.795 36.858 10.562 1.00 0.00 N ATOM 579 CA GLY A 39 -13.911 36.960 12.016 1.00 0.00 C ATOM 580 C GLY A 39 -14.215 35.598 12.630 1.00 0.00 C ATOM 581 O GLY A 39 -13.356 34.991 13.266 1.00 0.00 O ATOM 0 H GLY A 39 -12.906 36.479 10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.984 37.353 12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.701 37.665 12.274 1.00 0.00 H new ATOM 585 N ALA A 40 -15.441 35.123 12.438 1.00 0.00 N ATOM 586 CA ALA A 40 -15.845 33.832 12.984 1.00 0.00 C ATOM 587 C ALA A 40 -14.915 32.725 12.494 1.00 0.00 C ATOM 588 O ALA A 40 -14.627 31.776 13.223 1.00 0.00 O ATOM 589 CB ALA A 40 -17.281 33.513 12.572 1.00 0.00 C ATOM 0 H ALA A 40 -16.168 35.608 11.912 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.784 33.887 14.071 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.572 32.547 12.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.949 34.286 12.952 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.348 33.478 11.485 1.00 0.00 H new ATOM 595 N ALA A 41 -14.447 32.852 11.256 1.00 0.00 N ATOM 596 CA ALA A 41 -13.548 31.854 10.685 1.00 0.00 C ATOM 597 C ALA A 41 -12.167 31.934 11.332 1.00 0.00 C ATOM 598 O ALA A 41 -11.175 31.484 10.758 1.00 0.00 O ATOM 599 CB ALA A 41 -13.425 32.070 9.175 1.00 0.00 C ATOM 0 H ALA A 41 -14.672 33.628 10.634 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.964 30.865 10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.753 31.322 8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.408 31.976 8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.027 33.066 8.981 1.00 0.00 H new ATOM 605 N TYR A 42 -12.110 32.517 12.526 1.00 0.00 N ATOM 606 CA TYR A 42 -10.846 32.659 13.240 1.00 0.00 C ATOM 607 C TYR A 42 -10.186 31.297 13.431 1.00 0.00 C ATOM 608 O TYR A 42 -8.976 31.153 13.253 1.00 0.00 O ATOM 609 CB TYR A 42 -11.086 33.305 14.609 1.00 0.00 C ATOM 610 CG TYR A 42 -9.785 33.365 15.374 1.00 0.00 C ATOM 611 CD1 TYR A 42 -8.901 34.430 15.165 1.00 0.00 C ATOM 612 CD2 TYR A 42 -9.465 32.358 16.292 1.00 0.00 C ATOM 613 CE1 TYR A 42 -7.694 34.487 15.874 1.00 0.00 C ATOM 614 CE2 TYR A 42 -8.259 32.416 17.002 1.00 0.00 C ATOM 615 CZ TYR A 42 -7.374 33.480 16.792 1.00 0.00 C ATOM 616 OH TYR A 42 -6.186 33.537 17.491 1.00 0.00 O ATOM 0 H TYR A 42 -12.920 32.897 13.017 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.186 33.294 12.649 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.492 34.309 14.483 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.823 32.731 15.170 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -9.149 35.207 14.458 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.148 31.537 16.453 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.011 35.308 15.712 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.012 31.640 17.711 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.120 32.762 18.087 1.00 0.00 H new ATOM 626 N ALA A 43 -10.986 30.300 13.797 1.00 0.00 N ATOM 627 CA ALA A 43 -10.459 28.956 14.010 1.00 0.00 C ATOM 628 C ALA A 43 -9.801 28.437 12.736 1.00 0.00 C ATOM 629 O ALA A 43 -8.739 27.814 12.787 1.00 0.00 O ATOM 630 CB ALA A 43 -11.585 28.012 14.428 1.00 0.00 C ATOM 0 H ALA A 43 -11.990 30.395 13.951 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.712 28.998 14.803 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.182 27.012 14.585 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.036 28.371 15.353 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.342 27.979 13.645 1.00 0.00 H new ATOM 636 N PHE A 44 -10.440 28.678 11.597 1.00 0.00 N ATOM 637 CA PHE A 44 -9.906 28.210 10.324 1.00 0.00 C ATOM 638 C PHE A 44 -8.485 28.725 10.124 1.00 0.00 C ATOM 639 O PHE A 44 -7.583 27.965 9.770 1.00 0.00 O ATOM 640 CB PHE A 44 -10.786 28.710 9.179 1.00 0.00 C ATOM 641 CG PHE A 44 -10.349 28.068 7.885 1.00 0.00 C ATOM 642 CD1 PHE A 44 -9.347 28.661 7.108 1.00 0.00 C ATOM 643 CD2 PHE A 44 -10.946 26.874 7.464 1.00 0.00 C ATOM 644 CE1 PHE A 44 -8.943 28.062 5.907 1.00 0.00 C ATOM 645 CE2 PHE A 44 -10.544 26.275 6.264 1.00 0.00 C ATOM 646 CZ PHE A 44 -9.543 26.868 5.487 1.00 0.00 C ATOM 0 H PHE A 44 -11.320 29.190 11.529 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.895 27.120 10.332 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.831 28.472 9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.715 29.795 9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.885 29.581 7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.717 26.415 8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.171 28.520 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.007 25.355 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.233 26.405 4.562 1.00 0.00 H new ATOM 656 N TYR A 45 -8.291 30.018 10.359 1.00 0.00 N ATOM 657 CA TYR A 45 -6.970 30.621 10.207 1.00 0.00 C ATOM 658 C TYR A 45 -6.080 30.248 11.387 1.00 0.00 C ATOM 659 O TYR A 45 -4.873 30.058 11.231 1.00 0.00 O ATOM 660 CB TYR A 45 -7.092 32.144 10.113 1.00 0.00 C ATOM 661 CG TYR A 45 -8.128 32.508 9.070 1.00 0.00 C ATOM 662 CD1 TYR A 45 -7.954 32.106 7.741 1.00 0.00 C ATOM 663 CD2 TYR A 45 -9.264 33.240 9.437 1.00 0.00 C ATOM 664 CE1 TYR A 45 -8.915 32.436 6.778 1.00 0.00 C ATOM 665 CE2 TYR A 45 -10.225 33.569 8.474 1.00 0.00 C ATOM 666 CZ TYR A 45 -10.050 33.168 7.145 1.00 0.00 C ATOM 667 OH TYR A 45 -10.999 33.493 6.196 1.00 0.00 O ATOM 0 H TYR A 45 -9.023 30.664 10.653 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.520 30.242 9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.376 32.557 11.081 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.128 32.580 9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.078 31.541 7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.399 33.551 10.463 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.781 32.126 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.102 34.133 8.757 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.723 34.001 6.618 1.00 0.00 H new ATOM 677 N GLY A 46 -6.685 30.155 12.567 1.00 0.00 N ATOM 678 CA GLY A 46 -5.943 29.812 13.778 1.00 0.00 C ATOM 679 C GLY A 46 -4.943 28.690 13.516 1.00 0.00 C ATOM 680 O GLY A 46 -3.839 28.932 13.029 1.00 0.00 O ATOM 0 H GLY A 46 -7.683 30.311 12.712 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.417 30.693 14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.639 29.507 14.559 1.00 0.00 H new ATOM 684 N VAL A 47 -5.332 27.460 13.852 1.00 0.00 N ATOM 685 CA VAL A 47 -4.456 26.305 13.654 1.00 0.00 C ATOM 686 C VAL A 47 -5.258 25.070 13.259 1.00 0.00 C ATOM 687 O VAL A 47 -4.919 23.953 13.642 1.00 0.00 O ATOM 688 CB VAL A 47 -3.662 26.021 14.928 1.00 0.00 C ATOM 689 CG1 VAL A 47 -2.742 27.205 15.230 1.00 0.00 C ATOM 690 CG2 VAL A 47 -4.625 25.813 16.098 1.00 0.00 C ATOM 0 H VAL A 47 -6.240 27.238 14.259 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.766 26.541 12.844 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.064 25.121 14.788 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.175 27.003 16.139 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.053 27.352 14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.341 28.105 15.369 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.056 25.611 17.006 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.226 26.712 16.239 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.280 24.968 15.884 1.00 0.00 H new ATOM 700 N TRP A 48 -6.308 25.276 12.470 1.00 0.00 N ATOM 701 CA TRP A 48 -7.130 24.166 12.007 1.00 0.00 C ATOM 702 C TRP A 48 -6.297 23.178 11.171 1.00 0.00 C ATOM 703 O TRP A 48 -6.383 21.970 11.394 1.00 0.00 O ATOM 704 CB TRP A 48 -8.323 24.690 11.188 1.00 0.00 C ATOM 705 CG TRP A 48 -9.455 23.709 11.226 1.00 0.00 C ATOM 706 CD1 TRP A 48 -9.895 22.999 10.162 1.00 0.00 C ATOM 707 CD2 TRP A 48 -10.300 23.327 12.351 1.00 0.00 C ATOM 708 NE1 TRP A 48 -10.955 22.204 10.562 1.00 0.00 N ATOM 709 CE2 TRP A 48 -11.243 22.373 11.902 1.00 0.00 C ATOM 710 CE3 TRP A 48 -10.340 23.715 13.702 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -12.190 21.820 12.764 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -11.293 23.160 14.572 1.00 0.00 C ATOM 713 CH2 TRP A 48 -12.216 22.215 14.105 1.00 0.00 C ATOM 0 H TRP A 48 -6.607 26.194 12.141 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.511 23.635 12.880 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.652 25.650 11.586 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -8.016 24.861 10.156 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.486 23.045 9.164 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.461 21.571 9.943 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.634 24.444 14.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -12.898 21.092 12.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.314 23.464 15.608 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -12.946 21.793 14.779 1.00 0.00 H new ATOM 724 N PRO A 49 -5.489 23.636 10.227 1.00 0.00 N ATOM 725 CA PRO A 49 -4.651 22.715 9.389 1.00 0.00 C ATOM 726 C PRO A 49 -3.645 21.917 10.222 1.00 0.00 C ATOM 727 O PRO A 49 -3.055 20.953 9.734 1.00 0.00 O ATOM 728 CB PRO A 49 -3.930 23.654 8.398 1.00 0.00 C ATOM 729 CG PRO A 49 -3.967 24.997 9.043 1.00 0.00 C ATOM 730 CD PRO A 49 -5.274 25.048 9.825 1.00 0.00 C ATOM 0 HA PRO A 49 -5.261 21.960 8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.905 23.329 8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.432 23.667 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.111 25.137 9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.927 25.790 8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.199 25.705 10.691 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.095 25.421 9.212 1.00 0.00 H new ATOM 738 N LEU A 50 -3.443 22.324 11.473 1.00 0.00 N ATOM 739 CA LEU A 50 -2.503 21.629 12.347 1.00 0.00 C ATOM 740 C LEU A 50 -3.110 20.333 12.880 1.00 0.00 C ATOM 741 O LEU A 50 -2.420 19.322 13.011 1.00 0.00 O ATOM 742 CB LEU A 50 -2.098 22.538 13.516 1.00 0.00 C ATOM 743 CG LEU A 50 -0.977 21.878 14.340 1.00 0.00 C ATOM 744 CD1 LEU A 50 0.304 21.736 13.493 1.00 0.00 C ATOM 745 CD2 LEU A 50 -0.689 22.743 15.573 1.00 0.00 C ATOM 0 H LEU A 50 -3.912 23.123 11.900 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.617 21.379 11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.760 23.502 13.136 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.962 22.731 14.152 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.298 20.883 14.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.086 21.268 14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.096 21.118 12.620 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.637 22.722 13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.104 22.283 16.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.375 23.737 15.255 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.591 22.825 16.179 1.00 0.00 H new ATOM 757 N LEU A 51 -4.401 20.375 13.203 1.00 0.00 N ATOM 758 CA LEU A 51 -5.086 19.201 13.737 1.00 0.00 C ATOM 759 C LEU A 51 -5.082 18.066 12.715 1.00 0.00 C ATOM 760 O LEU A 51 -4.907 16.901 13.070 1.00 0.00 O ATOM 761 CB LEU A 51 -6.535 19.559 14.116 1.00 0.00 C ATOM 762 CG LEU A 51 -6.567 20.240 15.497 1.00 0.00 C ATOM 763 CD1 LEU A 51 -6.210 19.234 16.616 1.00 0.00 C ATOM 764 CD2 LEU A 51 -5.571 21.409 15.504 1.00 0.00 C ATOM 0 H LEU A 51 -4.989 21.202 13.105 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.555 18.869 14.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.962 20.223 13.364 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.148 18.658 14.132 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.574 20.611 15.686 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.239 19.739 17.582 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.930 18.415 16.612 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.209 18.838 16.444 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.588 21.896 16.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.568 21.033 15.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.849 22.129 14.734 1.00 0.00 H new ATOM 776 N LEU A 52 -5.288 18.411 11.450 1.00 0.00 N ATOM 777 CA LEU A 52 -5.318 17.410 10.390 1.00 0.00 C ATOM 778 C LEU A 52 -4.106 16.488 10.493 1.00 0.00 C ATOM 779 O LEU A 52 -4.099 15.392 9.936 1.00 0.00 O ATOM 780 CB LEU A 52 -5.310 18.096 9.022 1.00 0.00 C ATOM 781 CG LEU A 52 -6.346 19.225 8.997 1.00 0.00 C ATOM 782 CD1 LEU A 52 -6.430 19.808 7.585 1.00 0.00 C ATOM 783 CD2 LEU A 52 -7.721 18.684 9.411 1.00 0.00 C ATOM 0 H LEU A 52 -5.436 19.369 11.134 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.228 16.821 10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.318 18.496 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.532 17.370 8.240 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.044 20.004 9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.167 20.611 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.456 20.202 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.727 19.026 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.451 19.493 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.028 17.901 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.662 18.274 10.419 1.00 0.00 H new ATOM 795 N LEU A 53 -3.077 16.942 11.204 1.00 0.00 N ATOM 796 CA LEU A 53 -1.870 16.139 11.368 1.00 0.00 C ATOM 797 C LEU A 53 -2.180 14.887 12.195 1.00 0.00 C ATOM 798 O LEU A 53 -1.735 13.786 11.878 1.00 0.00 O ATOM 799 CB LEU A 53 -0.781 16.980 12.063 1.00 0.00 C ATOM 800 CG LEU A 53 0.619 16.453 11.704 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.680 17.378 12.308 1.00 0.00 C ATOM 802 CD2 LEU A 53 0.811 15.023 12.241 1.00 0.00 C ATOM 0 H LEU A 53 -3.054 17.849 11.670 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.509 15.828 10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.871 18.023 11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.922 16.947 13.143 1.00 0.00 H new ATOM 0 HG LEU A 53 0.722 16.433 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.673 17.007 12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.556 18.384 11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.567 17.402 13.392 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.807 14.666 11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.701 15.024 13.325 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.062 14.365 11.800 1.00 0.00 H new ATOM 814 N LEU A 54 -2.948 15.074 13.266 1.00 0.00 N ATOM 815 CA LEU A 54 -3.304 13.964 14.147 1.00 0.00 C ATOM 816 C LEU A 54 -4.346 13.054 13.503 1.00 0.00 C ATOM 817 O LEU A 54 -4.511 11.904 13.911 1.00 0.00 O ATOM 818 CB LEU A 54 -3.855 14.505 15.469 1.00 0.00 C ATOM 819 CG LEU A 54 -2.871 15.517 16.066 1.00 0.00 C ATOM 820 CD1 LEU A 54 -3.441 16.062 17.379 1.00 0.00 C ATOM 821 CD2 LEU A 54 -1.516 14.842 16.331 1.00 0.00 C ATOM 0 H LEU A 54 -3.333 15.977 13.544 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.402 13.380 14.329 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.823 14.979 15.304 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.017 13.685 16.169 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.725 16.336 15.361 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.744 16.782 17.807 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.396 16.551 17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.590 15.241 18.080 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.824 15.569 16.755 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.651 14.018 17.032 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.111 14.459 15.394 1.00 0.00 H new ATOM 833 N LEU A 55 -5.045 13.567 12.495 1.00 0.00 N ATOM 834 CA LEU A 55 -6.065 12.783 11.801 1.00 0.00 C ATOM 835 C LEU A 55 -5.465 12.109 10.567 1.00 0.00 C ATOM 836 O LEU A 55 -5.742 10.942 10.285 1.00 0.00 O ATOM 837 CB LEU A 55 -7.218 13.708 11.384 1.00 0.00 C ATOM 838 CG LEU A 55 -8.172 13.921 12.565 1.00 0.00 C ATOM 839 CD1 LEU A 55 -7.422 14.595 13.715 1.00 0.00 C ATOM 840 CD2 LEU A 55 -9.337 14.810 12.123 1.00 0.00 C ATOM 0 H LEU A 55 -4.926 14.516 12.141 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.441 12.010 12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.823 14.666 11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.758 13.273 10.543 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.556 12.958 12.900 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.102 14.746 14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.593 13.961 14.029 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.037 15.559 13.383 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.017 14.963 12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.953 15.773 11.787 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.872 14.328 11.305 1.00 0.00 H new ATOM 852 N ALA A 56 -4.638 12.855 9.843 1.00 0.00 N ATOM 853 CA ALA A 56 -3.998 12.332 8.641 1.00 0.00 C ATOM 854 C ALA A 56 -3.094 11.153 8.979 1.00 0.00 C ATOM 855 O ALA A 56 -2.957 10.220 8.187 1.00 0.00 O ATOM 856 CB ALA A 56 -3.182 13.429 7.957 1.00 0.00 C ATOM 0 H ALA A 56 -4.395 13.820 10.066 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.779 11.989 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.709 13.026 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.840 14.253 7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.414 13.791 8.641 1.00 0.00 H new ATOM 862 N LEU A 57 -2.469 11.200 10.157 1.00 0.00 N ATOM 863 CA LEU A 57 -1.569 10.128 10.596 1.00 0.00 C ATOM 864 C LEU A 57 -2.199 9.356 11.771 1.00 0.00 C ATOM 865 O LEU A 57 -2.083 9.776 12.921 1.00 0.00 O ATOM 866 CB LEU A 57 -0.214 10.739 11.014 1.00 0.00 C ATOM 867 CG LEU A 57 0.725 10.789 9.800 1.00 0.00 C ATOM 868 CD1 LEU A 57 0.058 11.572 8.661 1.00 0.00 C ATOM 869 CD2 LEU A 57 2.046 11.462 10.189 1.00 0.00 C ATOM 0 H LEU A 57 -2.568 11.966 10.823 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.407 9.429 9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.364 11.743 11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.235 10.144 11.809 1.00 0.00 H new ATOM 0 HG LEU A 57 0.929 9.772 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.728 11.605 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.872 11.080 8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.155 12.588 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.707 11.494 9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.850 12.477 10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.522 10.894 10.988 1.00 0.00 H new ATOM 881 N PRO A 58 -2.873 8.249 11.507 1.00 0.00 N ATOM 882 CA PRO A 58 -3.534 7.436 12.577 1.00 0.00 C ATOM 883 C PRO A 58 -2.606 7.188 13.777 1.00 0.00 C ATOM 884 O PRO A 58 -1.435 7.563 13.745 1.00 0.00 O ATOM 885 CB PRO A 58 -3.898 6.125 11.862 1.00 0.00 C ATOM 886 CG PRO A 58 -4.033 6.483 10.417 1.00 0.00 C ATOM 887 CD PRO A 58 -3.078 7.654 10.169 1.00 0.00 C ATOM 0 HA PRO A 58 -4.400 7.941 13.005 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.125 5.370 12.009 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.827 5.710 12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.780 5.634 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.060 6.763 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.137 7.315 9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.506 8.376 9.474 1.00 0.00 H new ATOM 895 N PRO A 59 -3.097 6.564 14.828 1.00 0.00 N ATOM 896 CA PRO A 59 -2.274 6.272 16.045 1.00 0.00 C ATOM 897 C PRO A 59 -0.972 5.544 15.707 1.00 0.00 C ATOM 898 O PRO A 59 0.067 5.799 16.317 1.00 0.00 O ATOM 899 CB PRO A 59 -3.189 5.384 16.907 1.00 0.00 C ATOM 900 CG PRO A 59 -4.578 5.716 16.468 1.00 0.00 C ATOM 901 CD PRO A 59 -4.480 6.069 14.984 1.00 0.00 C ATOM 0 HA PRO A 59 -1.962 7.186 16.550 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.969 4.327 16.755 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.051 5.589 17.969 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.249 4.871 16.624 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.979 6.552 17.042 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.667 5.200 14.353 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.210 6.829 14.705 1.00 0.00 H new ATOM 909 N ARG A 60 -1.038 4.619 14.755 1.00 0.00 N ATOM 910 CA ARG A 60 0.145 3.849 14.384 1.00 0.00 C ATOM 911 C ARG A 60 1.272 4.794 13.955 1.00 0.00 C ATOM 912 O ARG A 60 2.396 4.702 14.448 1.00 0.00 O ATOM 913 CB ARG A 60 -0.212 2.890 13.227 1.00 0.00 C ATOM 914 CG ARG A 60 0.561 1.568 13.352 1.00 0.00 C ATOM 915 CD ARG A 60 2.063 1.830 13.238 1.00 0.00 C ATOM 916 NE ARG A 60 2.792 0.567 13.180 1.00 0.00 N ATOM 917 CZ ARG A 60 3.194 -0.058 14.282 1.00 0.00 C ATOM 918 NH1 ARG A 60 2.929 0.450 15.453 1.00 0.00 N ATOM 919 NH2 ARG A 60 3.853 -1.182 14.190 1.00 0.00 N ATOM 0 H ARG A 60 -1.883 4.386 14.233 1.00 0.00 H new ATOM 0 HA ARG A 60 0.484 3.269 15.242 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.284 2.691 13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.020 3.363 12.273 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.337 1.095 14.308 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.244 0.876 12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.270 2.419 12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.403 2.416 14.092 1.00 0.00 H new ATOM 0 HE ARG A 60 2.998 0.153 12.271 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.413 1.327 15.524 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.237 -0.030 16.299 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.059 -1.579 13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.162 -1.663 15.035 1.00 0.00 H new ATOM 933 N ALA A 61 0.957 5.713 13.045 1.00 0.00 N ATOM 934 CA ALA A 61 1.945 6.677 12.562 1.00 0.00 C ATOM 935 C ALA A 61 1.867 7.972 13.361 1.00 0.00 C ATOM 936 O ALA A 61 0.850 8.267 13.989 1.00 0.00 O ATOM 937 CB ALA A 61 1.706 6.971 11.080 1.00 0.00 C ATOM 0 H ALA A 61 0.031 5.811 12.629 1.00 0.00 H new ATOM 0 HA ALA A 61 2.938 6.246 12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.446 7.690 10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.795 6.048 10.507 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.706 7.385 10.948 1.00 0.00 H new ATOM 943 N TYR A 62 2.947 8.746 13.329 1.00 0.00 N ATOM 944 CA TYR A 62 2.989 10.013 14.048 1.00 0.00 C ATOM 945 C TYR A 62 4.219 10.817 13.637 1.00 0.00 C ATOM 946 O TYR A 62 5.227 10.250 13.218 1.00 0.00 O ATOM 947 CB TYR A 62 3.022 9.760 15.556 1.00 0.00 C ATOM 948 CG TYR A 62 2.956 11.077 16.290 1.00 0.00 C ATOM 949 CD1 TYR A 62 1.715 11.667 16.556 1.00 0.00 C ATOM 950 CD2 TYR A 62 4.135 11.708 16.706 1.00 0.00 C ATOM 951 CE1 TYR A 62 1.652 12.890 17.236 1.00 0.00 C ATOM 952 CE2 TYR A 62 4.071 12.930 17.387 1.00 0.00 C ATOM 953 CZ TYR A 62 2.831 13.520 17.652 1.00 0.00 C ATOM 954 OH TYR A 62 2.768 14.724 18.323 1.00 0.00 O ATOM 0 H TYR A 62 3.799 8.520 12.816 1.00 0.00 H new ATOM 0 HA TYR A 62 2.094 10.582 13.798 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.184 9.127 15.847 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.933 9.227 15.826 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.806 11.179 16.237 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.093 11.253 16.502 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.695 13.347 17.439 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.980 13.417 17.708 1.00 0.00 H new ATOM 0 HH TYR A 62 3.675 15.025 18.541 1.00 0.00 H new ATOM 964 N ALA A 63 4.134 12.141 13.767 1.00 0.00 N ATOM 965 CA ALA A 63 5.250 13.018 13.411 1.00 0.00 C ATOM 966 C ALA A 63 5.413 14.121 14.453 1.00 0.00 C ATOM 967 O ALA A 63 4.716 15.117 14.348 1.00 0.00 O ATOM 968 CB ALA A 63 5.003 13.646 12.039 1.00 0.00 C ATOM 969 OXT ALA A 63 6.235 13.953 15.338 1.00 0.00 O ATOM 0 H ALA A 63 3.308 12.628 14.115 1.00 0.00 H new ATOM 0 HA ALA A 63 6.162 12.422 13.379 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.838 14.297 11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.912 12.859 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.083 14.230 12.066 1.00 0.00 H new TER 975 ALA A 63