USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 379 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 NoAdj-H: A 50 HIS HE2 : A 50 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0.00805 USER MOD Set 1.2: A 43 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0162 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.86 USER MOD Single : A 9 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.14) USER MOD Single : A 10 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.8!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 32:sc= 0.455 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 33 ASN : amide:sc= -1.64! C(o=-1.6!,f=-2.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 8:sc= -0.293 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= -0.728 (180deg=-1.77!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-4) USER MOD Single : A 52 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-4.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.047 38.727 36.984 1.00 0.00 N ATOM 2 CA GLY A 1 10.252 39.317 35.674 1.00 0.00 C ATOM 3 C GLY A 1 8.984 39.341 34.844 1.00 0.00 C ATOM 4 O GLY A 1 8.155 38.435 34.938 1.00 0.00 O ATOM 0 H1 GLY A 1 10.813 38.053 37.185 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.046 39.476 37.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.135 38.228 37.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.625 40.334 35.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.020 38.755 35.142 1.00 0.00 H new ATOM 8 N SER A 2 8.830 40.380 34.030 1.00 0.00 N ATOM 9 CA SER A 2 7.651 40.521 33.185 1.00 0.00 C ATOM 10 C SER A 2 7.687 39.523 32.031 1.00 0.00 C ATOM 11 O SER A 2 8.649 39.479 31.264 1.00 0.00 O ATOM 12 CB SER A 2 7.557 41.947 32.638 1.00 0.00 C ATOM 13 OG SER A 2 6.217 42.288 32.330 1.00 0.00 O ATOM 0 H SER A 2 9.508 41.137 33.938 1.00 0.00 H new ATOM 0 HA SER A 2 6.771 40.314 33.794 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.954 42.648 33.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.173 42.038 31.744 1.00 0.00 H new ATOM 0 HG SER A 2 6.184 43.204 31.984 1.00 0.00 H new ATOM 19 N SER A 3 6.632 38.723 31.916 1.00 0.00 N ATOM 20 CA SER A 3 6.544 37.723 30.859 1.00 0.00 C ATOM 21 C SER A 3 5.091 37.342 30.592 1.00 0.00 C ATOM 22 O SER A 3 4.186 37.750 31.319 1.00 0.00 O ATOM 23 CB SER A 3 7.348 36.478 31.238 1.00 0.00 C ATOM 24 OG SER A 3 6.945 35.975 32.500 1.00 0.00 O ATOM 0 H SER A 3 5.827 38.748 32.542 1.00 0.00 H new ATOM 0 HA SER A 3 6.962 38.154 29.949 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.214 35.709 30.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.410 36.721 31.262 1.00 0.00 H new ATOM 0 HG SER A 3 7.473 35.179 32.718 1.00 0.00 H new ATOM 30 N GLY A 4 4.875 36.556 29.541 1.00 0.00 N ATOM 31 CA GLY A 4 3.531 36.132 29.195 1.00 0.00 C ATOM 32 C GLY A 4 3.255 34.695 29.592 1.00 0.00 C ATOM 33 O GLY A 4 4.174 33.953 29.939 1.00 0.00 O ATOM 0 H GLY A 4 5.607 36.206 28.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.810 36.786 29.685 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.384 36.243 28.121 1.00 0.00 H new ATOM 37 N SER A 5 1.987 34.302 29.542 1.00 0.00 N ATOM 38 CA SER A 5 1.592 32.946 29.904 1.00 0.00 C ATOM 39 C SER A 5 0.754 32.310 28.798 1.00 0.00 C ATOM 40 O SER A 5 -0.466 32.464 28.763 1.00 0.00 O ATOM 41 CB SER A 5 0.804 32.954 31.215 1.00 0.00 C ATOM 42 OG SER A 5 1.646 33.258 32.314 1.00 0.00 O ATOM 0 H SER A 5 1.215 34.903 29.254 1.00 0.00 H new ATOM 0 HA SER A 5 2.498 32.354 30.036 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.000 33.687 31.155 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.337 31.981 31.368 1.00 0.00 H new ATOM 0 HG SER A 5 1.118 33.259 33.140 1.00 0.00 H new ATOM 48 N SER A 6 1.420 31.595 27.897 1.00 0.00 N ATOM 49 CA SER A 6 0.739 30.939 26.787 1.00 0.00 C ATOM 50 C SER A 6 1.607 29.832 26.195 1.00 0.00 C ATOM 51 O SER A 6 2.827 29.962 26.114 1.00 0.00 O ATOM 52 CB SER A 6 0.383 31.959 25.704 1.00 0.00 C ATOM 53 OG SER A 6 -0.836 32.617 26.003 1.00 0.00 O ATOM 0 H SER A 6 2.430 31.455 27.914 1.00 0.00 H new ATOM 0 HA SER A 6 -0.179 30.492 27.169 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.184 32.693 25.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.302 31.457 24.740 1.00 0.00 H new ATOM 0 HG SER A 6 -0.940 32.687 26.975 1.00 0.00 H new ATOM 59 N GLY A 7 0.966 28.743 25.782 1.00 0.00 N ATOM 60 CA GLY A 7 1.693 27.629 25.202 1.00 0.00 C ATOM 61 C GLY A 7 1.219 27.292 23.803 1.00 0.00 C ATOM 62 O GLY A 7 0.179 27.779 23.359 1.00 0.00 O ATOM 0 H GLY A 7 -0.044 28.612 25.839 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.756 27.868 25.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.580 26.753 25.841 1.00 0.00 H new ATOM 66 N ILE A 8 1.982 26.457 23.106 1.00 0.00 N ATOM 67 CA ILE A 8 1.634 26.056 21.749 1.00 0.00 C ATOM 68 C ILE A 8 1.941 24.581 21.516 1.00 0.00 C ATOM 69 O ILE A 8 3.098 24.166 21.542 1.00 0.00 O ATOM 70 CB ILE A 8 2.387 26.897 20.702 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.068 28.383 20.883 1.00 0.00 C ATOM 72 CG2 ILE A 8 2.028 26.440 19.296 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.964 29.296 20.077 1.00 0.00 C ATOM 0 H ILE A 8 2.846 26.045 23.459 1.00 0.00 H new ATOM 0 HA ILE A 8 0.563 26.224 21.636 1.00 0.00 H new ATOM 0 HB ILE A 8 3.458 26.754 20.846 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.031 28.561 20.598 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.157 28.639 21.939 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.569 27.045 18.568 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.302 25.392 19.173 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.956 26.555 19.139 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.680 30.333 20.254 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.001 29.147 20.378 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.857 29.067 19.017 1.00 0.00 H new ATOM 85 N ASN A 9 0.895 23.793 21.286 1.00 0.00 N ATOM 86 CA ASN A 9 1.052 22.363 21.046 1.00 0.00 C ATOM 87 C ASN A 9 2.148 22.102 20.018 1.00 0.00 C ATOM 88 O ASN A 9 2.427 22.945 19.166 1.00 0.00 O ATOM 89 CB ASN A 9 -0.268 21.757 20.567 1.00 0.00 C ATOM 90 CG ASN A 9 -0.833 22.482 19.361 1.00 0.00 C ATOM 91 OD1 ASN A 9 -1.592 23.442 19.499 1.00 0.00 O ATOM 92 ND2 ASN A 9 -0.465 22.025 18.170 1.00 0.00 N ATOM 0 H ASN A 9 -0.070 24.121 21.261 1.00 0.00 H new ATOM 0 HA ASN A 9 1.340 21.891 21.985 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.113 20.707 20.317 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.994 21.787 21.379 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.813 22.472 17.322 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.166 21.226 18.103 1.00 0.00 H new ATOM 99 N GLN A 10 2.764 20.927 20.103 1.00 0.00 N ATOM 100 CA GLN A 10 3.830 20.555 19.180 1.00 0.00 C ATOM 101 C GLN A 10 3.255 20.064 17.856 1.00 0.00 C ATOM 102 O GLN A 10 2.270 19.326 17.832 1.00 0.00 O ATOM 103 CB GLN A 10 4.714 19.471 19.799 1.00 0.00 C ATOM 104 CG GLN A 10 4.001 18.143 19.996 1.00 0.00 C ATOM 105 CD GLN A 10 4.955 17.013 20.331 1.00 0.00 C ATOM 106 OE1 GLN A 10 5.777 16.614 19.506 1.00 0.00 O ATOM 107 NE2 GLN A 10 4.850 16.491 21.547 1.00 0.00 N ATOM 0 H GLN A 10 2.543 20.217 20.801 1.00 0.00 H new ATOM 0 HA GLN A 10 4.435 21.441 18.987 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.584 19.316 19.161 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.084 19.822 20.763 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.268 18.244 20.796 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.451 17.892 19.089 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.154 16.853 22.199 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.465 15.728 21.829 1.00 0.00 H new ATOM 116 N GLN A 11 3.876 20.478 16.756 1.00 0.00 N ATOM 117 CA GLN A 11 3.425 20.081 15.428 1.00 0.00 C ATOM 118 C GLN A 11 3.919 18.680 15.082 1.00 0.00 C ATOM 119 O GLN A 11 5.059 18.502 14.656 1.00 0.00 O ATOM 120 CB GLN A 11 3.915 21.081 14.379 1.00 0.00 C ATOM 121 CG GLN A 11 3.470 22.509 14.646 1.00 0.00 C ATOM 122 CD GLN A 11 3.506 23.374 13.401 1.00 0.00 C ATOM 123 OE1 GLN A 11 4.577 23.706 12.892 1.00 0.00 O ATOM 124 NE2 GLN A 11 2.331 23.743 12.903 1.00 0.00 N ATOM 0 H GLN A 11 4.693 21.088 16.759 1.00 0.00 H new ATOM 0 HA GLN A 11 2.335 20.072 15.430 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.004 21.050 14.340 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.552 20.773 13.398 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.457 22.501 15.049 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.113 22.949 15.408 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.468 23.445 13.358 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.292 24.325 12.066 1.00 0.00 H new ATOM 133 N GLU A 12 3.052 17.689 15.270 1.00 0.00 N ATOM 134 CA GLU A 12 3.402 16.304 14.978 1.00 0.00 C ATOM 135 C GLU A 12 2.200 15.545 14.423 1.00 0.00 C ATOM 136 O GLU A 12 1.141 15.496 15.048 1.00 0.00 O ATOM 137 CB GLU A 12 3.920 15.609 16.240 1.00 0.00 C ATOM 138 CG GLU A 12 5.415 15.773 16.454 1.00 0.00 C ATOM 139 CD GLU A 12 6.237 14.897 15.528 1.00 0.00 C ATOM 140 OE1 GLU A 12 5.700 13.879 15.045 1.00 0.00 O ATOM 141 OE2 GLU A 12 7.416 15.230 15.288 1.00 0.00 O ATOM 0 H GLU A 12 2.104 17.820 15.623 1.00 0.00 H new ATOM 0 HA GLU A 12 4.189 16.306 14.224 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.392 16.006 17.107 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.684 14.546 16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.688 16.817 16.298 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.659 15.531 17.488 1.00 0.00 H new ATOM 148 N ASP A 13 2.373 14.955 13.246 1.00 0.00 N ATOM 149 CA ASP A 13 1.304 14.197 12.605 1.00 0.00 C ATOM 150 C ASP A 13 1.874 13.171 11.631 1.00 0.00 C ATOM 151 O ASP A 13 3.014 13.290 11.185 1.00 0.00 O ATOM 152 CB ASP A 13 0.351 15.141 11.871 1.00 0.00 C ATOM 153 CG ASP A 13 -0.301 14.486 10.669 1.00 0.00 C ATOM 154 OD1 ASP A 13 0.292 14.535 9.571 1.00 0.00 O ATOM 155 OD2 ASP A 13 -1.405 13.923 10.827 1.00 0.00 O ATOM 0 H ASP A 13 3.244 14.987 12.716 1.00 0.00 H new ATOM 0 HA ASP A 13 0.752 13.667 13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.422 15.480 12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.899 16.026 11.546 1.00 0.00 H new ATOM 160 N SER A 14 1.072 12.161 11.308 1.00 0.00 N ATOM 161 CA SER A 14 1.497 11.111 10.390 1.00 0.00 C ATOM 162 C SER A 14 1.468 11.604 8.947 1.00 0.00 C ATOM 163 O SER A 14 0.401 11.870 8.392 1.00 0.00 O ATOM 164 CB SER A 14 0.600 9.880 10.539 1.00 0.00 C ATOM 165 OG SER A 14 1.032 9.061 11.612 1.00 0.00 O ATOM 0 H SER A 14 0.125 12.048 11.669 1.00 0.00 H new ATOM 0 HA SER A 14 2.522 10.838 10.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.430 10.195 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.609 9.306 9.613 1.00 0.00 H new ATOM 0 HG SER A 14 0.442 8.282 11.687 1.00 0.00 H new ATOM 171 N SER A 15 2.646 11.725 8.345 1.00 0.00 N ATOM 172 CA SER A 15 2.757 12.190 6.967 1.00 0.00 C ATOM 173 C SER A 15 3.537 11.191 6.118 1.00 0.00 C ATOM 174 O SER A 15 4.732 10.985 6.325 1.00 0.00 O ATOM 175 CB SER A 15 3.440 13.558 6.922 1.00 0.00 C ATOM 176 OG SER A 15 4.724 13.507 7.521 1.00 0.00 O ATOM 0 H SER A 15 3.538 11.508 8.790 1.00 0.00 H new ATOM 0 HA SER A 15 1.751 12.281 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.531 13.889 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.823 14.293 7.439 1.00 0.00 H new ATOM 0 HG SER A 15 5.113 12.618 7.386 1.00 0.00 H new ATOM 182 N GLU A 16 2.850 10.575 5.161 1.00 0.00 N ATOM 183 CA GLU A 16 3.478 9.597 4.280 1.00 0.00 C ATOM 184 C GLU A 16 4.411 8.679 5.064 1.00 0.00 C ATOM 185 O GLU A 16 5.382 8.152 4.520 1.00 0.00 O ATOM 186 CB GLU A 16 4.255 10.304 3.168 1.00 0.00 C ATOM 187 CG GLU A 16 5.505 11.016 3.657 1.00 0.00 C ATOM 188 CD GLU A 16 6.337 11.582 2.522 1.00 0.00 C ATOM 189 OE1 GLU A 16 6.586 10.845 1.545 1.00 0.00 O ATOM 190 OE2 GLU A 16 6.738 12.761 2.612 1.00 0.00 O ATOM 0 H GLU A 16 1.860 10.736 4.976 1.00 0.00 H new ATOM 0 HA GLU A 16 2.691 8.990 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.537 9.572 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.601 11.028 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.218 11.824 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.112 10.320 4.235 1.00 0.00 H new ATOM 197 N SER A 17 4.110 8.493 6.345 1.00 0.00 N ATOM 198 CA SER A 17 4.924 7.642 7.206 1.00 0.00 C ATOM 199 C SER A 17 4.571 6.171 7.007 1.00 0.00 C ATOM 200 O SER A 17 3.442 5.835 6.648 1.00 0.00 O ATOM 201 CB SER A 17 4.730 8.031 8.673 1.00 0.00 C ATOM 202 OG SER A 17 3.360 7.998 9.032 1.00 0.00 O ATOM 0 H SER A 17 3.309 8.920 6.810 1.00 0.00 H new ATOM 0 HA SER A 17 5.970 7.786 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.293 7.349 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.130 9.031 8.843 1.00 0.00 H new ATOM 0 HG SER A 17 3.263 8.249 9.974 1.00 0.00 H new ATOM 208 N CYS A 18 5.545 5.299 7.242 1.00 0.00 N ATOM 209 CA CYS A 18 5.340 3.863 7.089 1.00 0.00 C ATOM 210 C CYS A 18 4.333 3.346 8.112 1.00 0.00 C ATOM 211 O CYS A 18 4.497 3.546 9.316 1.00 0.00 O ATOM 212 CB CYS A 18 6.667 3.118 7.242 1.00 0.00 C ATOM 213 SG CYS A 18 6.509 1.304 7.210 1.00 0.00 S ATOM 0 H CYS A 18 6.485 5.561 7.539 1.00 0.00 H new ATOM 0 HA CYS A 18 4.943 3.682 6.090 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.340 3.428 6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.132 3.415 8.182 1.00 0.00 H new ATOM 218 N TRP A 19 3.292 2.680 7.625 1.00 0.00 N ATOM 219 CA TRP A 19 2.258 2.133 8.496 1.00 0.00 C ATOM 220 C TRP A 19 2.860 1.177 9.520 1.00 0.00 C ATOM 221 O TRP A 19 2.570 1.268 10.712 1.00 0.00 O ATOM 222 CB TRP A 19 1.194 1.411 7.668 1.00 0.00 C ATOM 223 CG TRP A 19 0.305 2.342 6.902 1.00 0.00 C ATOM 224 CD1 TRP A 19 0.653 3.544 6.355 1.00 0.00 C ATOM 225 CD2 TRP A 19 -1.081 2.149 6.599 1.00 0.00 C ATOM 226 NE1 TRP A 19 -0.433 4.110 5.731 1.00 0.00 N ATOM 227 CE2 TRP A 19 -1.509 3.273 5.865 1.00 0.00 C ATOM 228 CE3 TRP A 19 -2.002 1.134 6.874 1.00 0.00 C ATOM 229 CZ2 TRP A 19 -2.816 3.409 5.407 1.00 0.00 C ATOM 230 CZ3 TRP A 19 -3.299 1.271 6.418 1.00 0.00 C ATOM 231 CH2 TRP A 19 -3.697 2.400 5.691 1.00 0.00 C ATOM 0 H TRP A 19 3.142 2.506 6.631 1.00 0.00 H new ATOM 0 HA TRP A 19 1.791 2.961 9.030 1.00 0.00 H new ATOM 0 HB2 TRP A 19 1.685 0.733 6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.582 0.799 8.330 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.637 3.985 6.405 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.437 5.008 5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.705 0.259 7.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.125 4.280 4.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -4.019 0.493 6.626 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.718 2.476 5.348 1.00 0.00 H new ATOM 242 N ASN A 20 3.698 0.260 9.047 1.00 0.00 N ATOM 243 CA ASN A 20 4.339 -0.714 9.922 1.00 0.00 C ATOM 244 C ASN A 20 5.205 -0.018 10.968 1.00 0.00 C ATOM 245 O ASN A 20 4.830 0.078 12.137 1.00 0.00 O ATOM 246 CB ASN A 20 5.192 -1.684 9.102 1.00 0.00 C ATOM 247 CG ASN A 20 5.851 -2.744 9.963 1.00 0.00 C ATOM 248 OD1 ASN A 20 5.178 -3.606 10.529 1.00 0.00 O ATOM 249 ND2 ASN A 20 7.173 -2.685 10.066 1.00 0.00 N ATOM 0 H ASN A 20 3.949 0.171 8.062 1.00 0.00 H new ATOM 0 HA ASN A 20 3.557 -1.273 10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.567 -2.167 8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.960 -1.125 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.672 -3.372 10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.690 -1.953 9.579 1.00 0.00 H new ATOM 256 N CYS A 21 6.365 0.468 10.539 1.00 0.00 N ATOM 257 CA CYS A 21 7.286 1.156 11.437 1.00 0.00 C ATOM 258 C CYS A 21 6.645 2.416 12.011 1.00 0.00 C ATOM 259 O CYS A 21 6.306 2.469 13.193 1.00 0.00 O ATOM 260 CB CYS A 21 8.576 1.518 10.699 1.00 0.00 C ATOM 261 SG CYS A 21 9.268 0.160 9.701 1.00 0.00 S ATOM 0 H CYS A 21 6.690 0.398 9.575 1.00 0.00 H new ATOM 0 HA CYS A 21 7.523 0.482 12.260 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.383 2.371 10.048 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.322 1.836 11.428 1.00 0.00 H new ATOM 266 N GLY A 22 6.482 3.429 11.166 1.00 0.00 N ATOM 267 CA GLY A 22 5.883 4.675 11.607 1.00 0.00 C ATOM 268 C GLY A 22 6.870 5.826 11.605 1.00 0.00 C ATOM 269 O GLY A 22 6.844 6.676 12.495 1.00 0.00 O ATOM 0 H GLY A 22 6.754 3.409 10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.042 4.920 10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.482 4.546 12.612 1.00 0.00 H new ATOM 273 N ARG A 23 7.743 5.853 10.603 1.00 0.00 N ATOM 274 CA ARG A 23 8.744 6.906 10.491 1.00 0.00 C ATOM 275 C ARG A 23 8.773 7.479 9.077 1.00 0.00 C ATOM 276 O ARG A 23 8.414 8.636 8.857 1.00 0.00 O ATOM 277 CB ARG A 23 10.127 6.367 10.862 1.00 0.00 C ATOM 278 CG ARG A 23 10.238 5.924 12.312 1.00 0.00 C ATOM 279 CD ARG A 23 11.531 5.164 12.564 1.00 0.00 C ATOM 280 NE ARG A 23 11.770 4.949 13.989 1.00 0.00 N ATOM 281 CZ ARG A 23 12.904 4.459 14.478 1.00 0.00 C ATOM 282 NH1 ARG A 23 13.897 4.136 13.661 1.00 0.00 N ATOM 283 NH2 ARG A 23 13.046 4.293 15.787 1.00 0.00 N ATOM 0 H ARG A 23 7.777 5.158 9.858 1.00 0.00 H new ATOM 0 HA ARG A 23 8.475 7.704 11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.365 5.524 10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.872 7.138 10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.194 6.796 12.965 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.387 5.292 12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.491 4.202 12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.366 5.718 12.136 1.00 0.00 H new ATOM 0 HE ARG A 23 11.026 5.188 14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.791 4.264 12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.767 3.760 14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.284 4.542 16.418 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.917 3.917 16.162 1.00 0.00 H new ATOM 297 N LYS A 24 9.204 6.663 8.121 1.00 0.00 N ATOM 298 CA LYS A 24 9.280 7.087 6.729 1.00 0.00 C ATOM 299 C LYS A 24 8.758 5.996 5.799 1.00 0.00 C ATOM 300 O LYS A 24 8.971 4.808 6.039 1.00 0.00 O ATOM 301 CB LYS A 24 10.723 7.440 6.359 1.00 0.00 C ATOM 302 CG LYS A 24 10.888 7.894 4.920 1.00 0.00 C ATOM 303 CD LYS A 24 10.558 9.369 4.759 1.00 0.00 C ATOM 304 CE LYS A 24 11.757 10.247 5.082 1.00 0.00 C ATOM 305 NZ LYS A 24 11.369 11.673 5.260 1.00 0.00 N ATOM 0 H LYS A 24 9.506 5.703 8.286 1.00 0.00 H new ATOM 0 HA LYS A 24 8.655 7.972 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.077 8.229 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.357 6.570 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.912 7.712 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.239 7.302 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.231 9.560 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.727 9.631 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.237 9.885 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.491 10.168 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.214 12.238 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.934 12.026 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.688 11.752 6.042 1.00 0.00 H new ATOM 319 N ALA A 25 8.076 6.408 4.735 1.00 0.00 N ATOM 320 CA ALA A 25 7.528 5.466 3.767 1.00 0.00 C ATOM 321 C ALA A 25 7.914 5.853 2.344 1.00 0.00 C ATOM 322 O ALA A 25 7.723 6.996 1.929 1.00 0.00 O ATOM 323 CB ALA A 25 6.014 5.390 3.904 1.00 0.00 C ATOM 0 H ALA A 25 7.890 7.388 4.522 1.00 0.00 H new ATOM 0 HA ALA A 25 7.951 4.483 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.618 4.683 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.756 5.058 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.583 6.375 3.726 1.00 0.00 H new ATOM 329 N SER A 26 8.458 4.895 1.601 1.00 0.00 N ATOM 330 CA SER A 26 8.875 5.138 0.226 1.00 0.00 C ATOM 331 C SER A 26 8.030 4.325 -0.750 1.00 0.00 C ATOM 332 O SER A 26 7.777 4.754 -1.875 1.00 0.00 O ATOM 333 CB SER A 26 10.354 4.788 0.050 1.00 0.00 C ATOM 334 OG SER A 26 11.182 5.885 0.396 1.00 0.00 O ATOM 0 H SER A 26 8.620 3.943 1.929 1.00 0.00 H new ATOM 0 HA SER A 26 8.731 6.197 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.604 3.929 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.542 4.498 -0.984 1.00 0.00 H new ATOM 0 HG SER A 26 12.122 5.636 0.277 1.00 0.00 H new ATOM 340 N GLU A 27 7.595 3.148 -0.309 1.00 0.00 N ATOM 341 CA GLU A 27 6.778 2.275 -1.143 1.00 0.00 C ATOM 342 C GLU A 27 5.299 2.421 -0.799 1.00 0.00 C ATOM 343 O GLU A 27 4.922 3.238 0.041 1.00 0.00 O ATOM 344 CB GLU A 27 7.212 0.817 -0.972 1.00 0.00 C ATOM 345 CG GLU A 27 8.409 0.434 -1.825 1.00 0.00 C ATOM 346 CD GLU A 27 8.034 0.164 -3.269 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.150 0.872 -3.796 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.625 -0.756 -3.873 1.00 0.00 O ATOM 0 H GLU A 27 7.795 2.778 0.620 1.00 0.00 H new ATOM 0 HA GLU A 27 6.922 2.570 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.452 0.639 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.375 0.166 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.147 1.235 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.881 -0.454 -1.404 1.00 0.00 H new ATOM 355 N THR A 28 4.463 1.622 -1.455 1.00 0.00 N ATOM 356 CA THR A 28 3.025 1.662 -1.221 1.00 0.00 C ATOM 357 C THR A 28 2.365 0.350 -1.629 1.00 0.00 C ATOM 358 O THR A 28 2.734 -0.257 -2.635 1.00 0.00 O ATOM 359 CB THR A 28 2.362 2.819 -1.993 1.00 0.00 C ATOM 360 OG1 THR A 28 3.193 3.984 -1.936 1.00 0.00 O ATOM 361 CG2 THR A 28 0.991 3.138 -1.417 1.00 0.00 C ATOM 0 H THR A 28 4.758 0.939 -2.153 1.00 0.00 H new ATOM 0 HA THR A 28 2.883 1.820 -0.152 1.00 0.00 H new ATOM 0 HB THR A 28 2.239 2.511 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.766 4.715 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.542 3.958 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.353 2.257 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.094 3.428 -0.371 1.00 0.00 H new ATOM 369 N CYS A 29 1.385 -0.083 -0.843 1.00 0.00 N ATOM 370 CA CYS A 29 0.672 -1.324 -1.122 1.00 0.00 C ATOM 371 C CYS A 29 0.271 -1.402 -2.593 1.00 0.00 C ATOM 372 O CYS A 29 -0.462 -0.549 -3.093 1.00 0.00 O ATOM 373 CB CYS A 29 -0.572 -1.432 -0.237 1.00 0.00 C ATOM 374 SG CYS A 29 -1.652 -2.842 -0.642 1.00 0.00 S ATOM 0 H CYS A 29 1.066 0.407 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 29 1.341 -2.156 -0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.258 -1.515 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.148 -0.510 -0.324 1.00 0.00 H new ATOM 379 N SER A 30 0.758 -2.431 -3.279 1.00 0.00 N ATOM 380 CA SER A 30 0.454 -2.619 -4.693 1.00 0.00 C ATOM 381 C SER A 30 -0.908 -3.283 -4.872 1.00 0.00 C ATOM 382 O SER A 30 -1.157 -3.953 -5.873 1.00 0.00 O ATOM 383 CB SER A 30 1.539 -3.466 -5.361 1.00 0.00 C ATOM 384 OG SER A 30 1.778 -4.657 -4.631 1.00 0.00 O ATOM 0 H SER A 30 1.364 -3.147 -2.879 1.00 0.00 H new ATOM 0 HA SER A 30 0.426 -1.638 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.236 -3.714 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.461 -2.889 -5.434 1.00 0.00 H new ATOM 0 HG SER A 30 2.474 -5.181 -5.079 1.00 0.00 H new ATOM 390 N GLY A 31 -1.786 -3.091 -3.892 1.00 0.00 N ATOM 391 CA GLY A 31 -3.112 -3.678 -3.960 1.00 0.00 C ATOM 392 C GLY A 31 -4.211 -2.639 -3.856 1.00 0.00 C ATOM 393 O GLY A 31 -5.209 -2.706 -4.575 1.00 0.00 O ATOM 0 H GLY A 31 -1.603 -2.540 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.218 -4.222 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.226 -4.405 -3.156 1.00 0.00 H new ATOM 397 N CYS A 32 -4.031 -1.676 -2.959 1.00 0.00 N ATOM 398 CA CYS A 32 -5.016 -0.619 -2.762 1.00 0.00 C ATOM 399 C CYS A 32 -4.374 0.757 -2.910 1.00 0.00 C ATOM 400 O CYS A 32 -5.066 1.762 -3.066 1.00 0.00 O ATOM 401 CB CYS A 32 -5.661 -0.746 -1.380 1.00 0.00 C ATOM 402 SG CYS A 32 -4.485 -0.619 0.005 1.00 0.00 S ATOM 0 H CYS A 32 -3.211 -1.605 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.785 -0.726 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.418 0.030 -1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.176 -1.705 -1.318 1.00 0.00 H new ATOM 407 N ASN A 33 -3.046 0.793 -2.862 1.00 0.00 N ATOM 408 CA ASN A 33 -2.310 2.046 -2.991 1.00 0.00 C ATOM 409 C ASN A 33 -2.680 3.012 -1.869 1.00 0.00 C ATOM 410 O ASN A 33 -2.729 4.226 -2.071 1.00 0.00 O ATOM 411 CB ASN A 33 -2.594 2.691 -4.349 1.00 0.00 C ATOM 412 CG ASN A 33 -1.592 3.775 -4.695 1.00 0.00 C ATOM 413 OD1 ASN A 33 -1.115 4.497 -3.820 1.00 0.00 O ATOM 414 ND2 ASN A 33 -1.268 3.893 -5.978 1.00 0.00 N ATOM 0 H ASN A 33 -2.458 -0.031 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.246 1.823 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.577 1.924 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.598 3.116 -4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.599 4.604 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.689 3.272 -6.669 1.00 0.00 H new ATOM 421 N THR A 34 -2.938 2.465 -0.686 1.00 0.00 N ATOM 422 CA THR A 34 -3.304 3.277 0.468 1.00 0.00 C ATOM 423 C THR A 34 -2.307 3.094 1.607 1.00 0.00 C ATOM 424 O THR A 34 -1.900 4.061 2.250 1.00 0.00 O ATOM 425 CB THR A 34 -4.716 2.928 0.976 1.00 0.00 C ATOM 426 OG1 THR A 34 -5.684 3.202 -0.043 1.00 0.00 O ATOM 427 CG2 THR A 34 -5.052 3.723 2.228 1.00 0.00 C ATOM 0 H THR A 34 -2.900 1.463 -0.501 1.00 0.00 H new ATOM 0 HA THR A 34 -3.291 4.316 0.140 1.00 0.00 H new ATOM 0 HB THR A 34 -4.738 1.866 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.579 2.976 0.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.054 3.460 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.330 3.491 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.013 4.789 2.003 1.00 0.00 H new ATOM 435 N ALA A 35 -1.917 1.847 1.851 1.00 0.00 N ATOM 436 CA ALA A 35 -0.966 1.538 2.912 1.00 0.00 C ATOM 437 C ALA A 35 0.459 1.879 2.487 1.00 0.00 C ATOM 438 O ALA A 35 0.954 1.373 1.480 1.00 0.00 O ATOM 439 CB ALA A 35 -1.066 0.070 3.299 1.00 0.00 C ATOM 0 H ALA A 35 -2.245 1.035 1.328 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.215 2.149 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.350 -0.147 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.075 -0.145 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.845 -0.551 2.431 1.00 0.00 H new ATOM 445 N ARG A 36 1.111 2.740 3.261 1.00 0.00 N ATOM 446 CA ARG A 36 2.478 3.151 2.964 1.00 0.00 C ATOM 447 C ARG A 36 3.483 2.258 3.687 1.00 0.00 C ATOM 448 O ARG A 36 3.177 1.681 4.730 1.00 0.00 O ATOM 449 CB ARG A 36 2.694 4.610 3.367 1.00 0.00 C ATOM 450 CG ARG A 36 1.986 5.604 2.460 1.00 0.00 C ATOM 451 CD ARG A 36 2.514 5.533 1.036 1.00 0.00 C ATOM 452 NE ARG A 36 1.921 6.557 0.181 1.00 0.00 N ATOM 453 CZ ARG A 36 2.376 7.803 0.103 1.00 0.00 C ATOM 454 NH1 ARG A 36 3.423 8.176 0.825 1.00 0.00 N ATOM 455 NH2 ARG A 36 1.782 8.678 -0.699 1.00 0.00 N ATOM 0 H ARG A 36 0.715 3.167 4.099 1.00 0.00 H new ATOM 0 HA ARG A 36 2.635 3.051 1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.344 4.751 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.763 4.825 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.915 5.402 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.121 6.613 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.598 5.651 1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.304 4.547 0.620 1.00 0.00 H new ATOM 0 HE ARG A 36 1.113 6.302 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.882 7.506 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.770 9.133 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.976 8.394 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.132 9.634 -0.759 1.00 0.00 H new ATOM 469 N TYR A 37 4.682 2.150 3.125 1.00 0.00 N ATOM 470 CA TYR A 37 5.730 1.326 3.713 1.00 0.00 C ATOM 471 C TYR A 37 7.110 1.907 3.419 1.00 0.00 C ATOM 472 O TYR A 37 7.306 2.596 2.417 1.00 0.00 O ATOM 473 CB TYR A 37 5.643 -0.105 3.180 1.00 0.00 C ATOM 474 CG TYR A 37 4.501 -0.902 3.769 1.00 0.00 C ATOM 475 CD1 TYR A 37 4.377 -1.063 5.144 1.00 0.00 C ATOM 476 CD2 TYR A 37 3.547 -1.495 2.952 1.00 0.00 C ATOM 477 CE1 TYR A 37 3.336 -1.791 5.687 1.00 0.00 C ATOM 478 CE2 TYR A 37 2.501 -2.223 3.486 1.00 0.00 C ATOM 479 CZ TYR A 37 2.400 -2.368 4.854 1.00 0.00 C ATOM 480 OH TYR A 37 1.361 -3.094 5.389 1.00 0.00 O ATOM 0 H TYR A 37 4.952 2.623 2.263 1.00 0.00 H new ATOM 0 HA TYR A 37 5.583 1.314 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.532 -0.074 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.581 -0.620 3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.107 -0.611 5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.624 -1.385 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.255 -1.908 6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.767 -2.676 2.836 1.00 0.00 H new ATOM 0 HH TYR A 37 1.362 -2.997 6.364 1.00 0.00 H new ATOM 490 N CYS A 38 8.064 1.624 4.299 1.00 0.00 N ATOM 491 CA CYS A 38 9.426 2.117 4.136 1.00 0.00 C ATOM 492 C CYS A 38 10.180 1.297 3.093 1.00 0.00 C ATOM 493 O CYS A 38 11.324 1.601 2.756 1.00 0.00 O ATOM 494 CB CYS A 38 10.171 2.071 5.472 1.00 0.00 C ATOM 495 SG CYS A 38 10.246 0.414 6.225 1.00 0.00 S ATOM 0 H CYS A 38 7.919 1.055 5.133 1.00 0.00 H new ATOM 0 HA CYS A 38 9.373 3.150 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.187 2.437 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.686 2.754 6.170 1.00 0.00 H new ATOM 500 N GLY A 39 9.530 0.254 2.585 1.00 0.00 N ATOM 501 CA GLY A 39 10.154 -0.594 1.585 1.00 0.00 C ATOM 502 C GLY A 39 9.313 -1.810 1.251 1.00 0.00 C ATOM 503 O GLY A 39 8.609 -2.341 2.109 1.00 0.00 O ATOM 0 H GLY A 39 8.583 -0.019 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.326 -0.015 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.130 -0.919 1.946 1.00 0.00 H new ATOM 507 N SER A 40 9.386 -2.252 -0.001 1.00 0.00 N ATOM 508 CA SER A 40 8.621 -3.410 -0.448 1.00 0.00 C ATOM 509 C SER A 40 8.674 -4.529 0.587 1.00 0.00 C ATOM 510 O SER A 40 7.674 -5.198 0.846 1.00 0.00 O ATOM 511 CB SER A 40 9.158 -3.914 -1.789 1.00 0.00 C ATOM 512 OG SER A 40 10.570 -4.025 -1.764 1.00 0.00 O ATOM 0 H SER A 40 9.967 -1.826 -0.723 1.00 0.00 H new ATOM 0 HA SER A 40 7.582 -3.103 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.718 -4.884 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.858 -3.231 -2.584 1.00 0.00 H new ATOM 0 HG SER A 40 10.888 -4.351 -2.632 1.00 0.00 H new ATOM 518 N PHE A 41 9.848 -4.726 1.177 1.00 0.00 N ATOM 519 CA PHE A 41 10.034 -5.764 2.184 1.00 0.00 C ATOM 520 C PHE A 41 9.065 -5.572 3.347 1.00 0.00 C ATOM 521 O PHE A 41 8.385 -6.510 3.765 1.00 0.00 O ATOM 522 CB PHE A 41 11.475 -5.754 2.698 1.00 0.00 C ATOM 523 CG PHE A 41 11.604 -6.197 4.128 1.00 0.00 C ATOM 524 CD1 PHE A 41 11.074 -7.408 4.542 1.00 0.00 C ATOM 525 CD2 PHE A 41 12.255 -5.402 5.057 1.00 0.00 C ATOM 526 CE1 PHE A 41 11.191 -7.818 5.856 1.00 0.00 C ATOM 527 CE2 PHE A 41 12.376 -5.807 6.373 1.00 0.00 C ATOM 528 CZ PHE A 41 11.844 -7.017 6.773 1.00 0.00 C ATOM 0 H PHE A 41 10.686 -4.180 0.975 1.00 0.00 H new ATOM 0 HA PHE A 41 9.829 -6.728 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.082 -6.405 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.880 -4.747 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.563 -8.039 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.673 -4.455 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.772 -8.764 6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.886 -5.178 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.938 -7.336 7.800 1.00 0.00 H new ATOM 538 N CYS A 42 9.008 -4.351 3.866 1.00 0.00 N ATOM 539 CA CYS A 42 8.124 -4.034 4.982 1.00 0.00 C ATOM 540 C CYS A 42 6.669 -4.318 4.621 1.00 0.00 C ATOM 541 O CYS A 42 5.841 -4.571 5.496 1.00 0.00 O ATOM 542 CB CYS A 42 8.284 -2.567 5.386 1.00 0.00 C ATOM 543 SG CYS A 42 7.625 -2.175 7.038 1.00 0.00 S ATOM 0 H CYS A 42 9.564 -3.564 3.532 1.00 0.00 H new ATOM 0 HA CYS A 42 8.401 -4.668 5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.342 -2.307 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.782 -1.941 4.648 1.00 0.00 H new ATOM 548 N GLN A 43 6.367 -4.275 3.328 1.00 0.00 N ATOM 549 CA GLN A 43 5.012 -4.527 2.851 1.00 0.00 C ATOM 550 C GLN A 43 4.717 -6.023 2.815 1.00 0.00 C ATOM 551 O GLN A 43 3.683 -6.475 3.307 1.00 0.00 O ATOM 552 CB GLN A 43 4.817 -3.923 1.460 1.00 0.00 C ATOM 553 CG GLN A 43 3.455 -4.221 0.853 1.00 0.00 C ATOM 554 CD GLN A 43 3.412 -3.958 -0.640 1.00 0.00 C ATOM 555 OE1 GLN A 43 3.928 -2.948 -1.119 1.00 0.00 O ATOM 556 NE2 GLN A 43 2.794 -4.868 -1.383 1.00 0.00 N ATOM 0 H GLN A 43 7.042 -4.068 2.592 1.00 0.00 H new ATOM 0 HA GLN A 43 4.316 -4.055 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.950 -2.843 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.593 -4.304 0.796 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.197 -5.263 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.699 -3.611 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.380 -5.690 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.733 -4.745 -2.394 1.00 0.00 H new ATOM 565 N HIS A 44 5.634 -6.788 2.230 1.00 0.00 N ATOM 566 CA HIS A 44 5.472 -8.234 2.129 1.00 0.00 C ATOM 567 C HIS A 44 5.216 -8.848 3.502 1.00 0.00 C ATOM 568 O HIS A 44 4.369 -9.730 3.651 1.00 0.00 O ATOM 569 CB HIS A 44 6.715 -8.865 1.500 1.00 0.00 C ATOM 570 CG HIS A 44 6.640 -8.975 0.008 1.00 0.00 C ATOM 571 ND1 HIS A 44 6.370 -10.157 -0.647 1.00 0.00 N ATOM 572 CD2 HIS A 44 6.801 -8.040 -0.958 1.00 0.00 C ATOM 573 CE1 HIS A 44 6.369 -9.946 -1.951 1.00 0.00 C ATOM 574 NE2 HIS A 44 6.628 -8.669 -2.166 1.00 0.00 N ATOM 0 H HIS A 44 6.496 -6.431 1.819 1.00 0.00 H new ATOM 0 HA HIS A 44 4.610 -8.435 1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 44 7.589 -8.272 1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.861 -9.859 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.024 -6.994 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.187 -10.691 -2.712 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.690 -8.222 -3.081 1.00 0.00 H new ATOM 583 N LYS A 45 5.952 -8.378 4.503 1.00 0.00 N ATOM 584 CA LYS A 45 5.805 -8.880 5.864 1.00 0.00 C ATOM 585 C LYS A 45 4.553 -8.308 6.522 1.00 0.00 C ATOM 586 O LYS A 45 3.935 -8.954 7.368 1.00 0.00 O ATOM 587 CB LYS A 45 7.039 -8.525 6.697 1.00 0.00 C ATOM 588 CG LYS A 45 7.299 -7.032 6.792 1.00 0.00 C ATOM 589 CD LYS A 45 8.494 -6.730 7.682 1.00 0.00 C ATOM 590 CE LYS A 45 8.075 -6.543 9.132 1.00 0.00 C ATOM 591 NZ LYS A 45 7.639 -7.825 9.753 1.00 0.00 N ATOM 0 H LYS A 45 6.657 -7.649 4.397 1.00 0.00 H new ATOM 0 HA LYS A 45 5.706 -9.964 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.917 -8.929 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.913 -9.011 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.475 -6.628 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.415 -6.532 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.216 -7.544 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.995 -5.829 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.908 -6.129 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.262 -5.819 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.783 -7.779 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.631 -7.983 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.198 -8.609 9.360 1.00 0.00 H new ATOM 605 N ASP A 46 4.184 -7.095 6.126 1.00 0.00 N ATOM 606 CA ASP A 46 3.004 -6.438 6.676 1.00 0.00 C ATOM 607 C ASP A 46 1.825 -6.543 5.714 1.00 0.00 C ATOM 608 O ASP A 46 0.836 -5.823 5.847 1.00 0.00 O ATOM 609 CB ASP A 46 3.305 -4.968 6.974 1.00 0.00 C ATOM 610 CG ASP A 46 2.514 -4.444 8.157 1.00 0.00 C ATOM 611 OD1 ASP A 46 2.116 -5.261 9.013 1.00 0.00 O ATOM 612 OD2 ASP A 46 2.293 -3.217 8.226 1.00 0.00 O ATOM 0 H ASP A 46 4.685 -6.547 5.427 1.00 0.00 H new ATOM 0 HA ASP A 46 2.738 -6.942 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.370 -4.851 7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.077 -4.368 6.093 1.00 0.00 H new ATOM 617 N TRP A 47 1.939 -7.444 4.744 1.00 0.00 N ATOM 618 CA TRP A 47 0.882 -7.643 3.758 1.00 0.00 C ATOM 619 C TRP A 47 -0.164 -8.625 4.272 1.00 0.00 C ATOM 620 O TRP A 47 -1.341 -8.286 4.390 1.00 0.00 O ATOM 621 CB TRP A 47 1.474 -8.151 2.442 1.00 0.00 C ATOM 622 CG TRP A 47 0.440 -8.664 1.486 1.00 0.00 C ATOM 623 CD1 TRP A 47 0.344 -9.931 0.986 1.00 0.00 C ATOM 624 CD2 TRP A 47 -0.641 -7.921 0.913 1.00 0.00 C ATOM 625 NE1 TRP A 47 -0.733 -10.020 0.136 1.00 0.00 N ATOM 626 CE2 TRP A 47 -1.354 -8.801 0.075 1.00 0.00 C ATOM 627 CE3 TRP A 47 -1.078 -6.598 1.027 1.00 0.00 C ATOM 628 CZ2 TRP A 47 -2.476 -8.399 -0.643 1.00 0.00 C ATOM 629 CZ3 TRP A 47 -2.192 -6.201 0.313 1.00 0.00 C ATOM 630 CH2 TRP A 47 -2.882 -7.098 -0.513 1.00 0.00 C ATOM 0 H TRP A 47 2.752 -8.048 4.619 1.00 0.00 H new ATOM 0 HA TRP A 47 0.396 -6.683 3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.030 -7.343 1.966 1.00 0.00 H new ATOM 0 HB3 TRP A 47 2.188 -8.947 2.656 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.015 -10.743 1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.023 -10.858 -0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -0.554 -5.899 1.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.008 -9.089 -1.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.537 -5.181 0.393 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.750 -6.757 -1.057 1.00 0.00 H new ATOM 641 N GLU A 48 0.273 -9.844 4.577 1.00 0.00 N ATOM 642 CA GLU A 48 -0.629 -10.875 5.078 1.00 0.00 C ATOM 643 C GLU A 48 -1.495 -10.335 6.212 1.00 0.00 C ATOM 644 O GLU A 48 -2.533 -10.909 6.544 1.00 0.00 O ATOM 645 CB GLU A 48 0.168 -12.088 5.561 1.00 0.00 C ATOM 646 CG GLU A 48 1.202 -11.754 6.623 1.00 0.00 C ATOM 647 CD GLU A 48 1.934 -12.981 7.132 1.00 0.00 C ATOM 648 OE1 GLU A 48 1.256 -13.942 7.553 1.00 0.00 O ATOM 649 OE2 GLU A 48 3.182 -12.979 7.110 1.00 0.00 O ATOM 0 H GLU A 48 1.245 -10.141 4.486 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.282 -11.181 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.523 -12.831 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.670 -12.545 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.925 -11.049 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.711 -11.256 7.459 1.00 0.00 H new ATOM 656 N LYS A 49 -1.061 -9.229 6.805 1.00 0.00 N ATOM 657 CA LYS A 49 -1.795 -8.610 7.903 1.00 0.00 C ATOM 658 C LYS A 49 -2.642 -7.444 7.401 1.00 0.00 C ATOM 659 O LYS A 49 -3.793 -7.280 7.809 1.00 0.00 O ATOM 660 CB LYS A 49 -0.825 -8.122 8.981 1.00 0.00 C ATOM 661 CG LYS A 49 -0.075 -9.244 9.677 1.00 0.00 C ATOM 662 CD LYS A 49 -0.859 -9.790 10.859 1.00 0.00 C ATOM 663 CE LYS A 49 -0.568 -11.266 11.087 1.00 0.00 C ATOM 664 NZ LYS A 49 0.578 -11.468 12.017 1.00 0.00 N ATOM 0 H LYS A 49 -0.204 -8.742 6.544 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.458 -9.361 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.105 -7.441 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.380 -7.551 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.121 -10.047 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.893 -8.878 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.606 -9.225 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.926 -9.651 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.455 -11.753 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.350 -11.745 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.745 -12.486 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.431 -11.026 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.360 -11.033 12.936 1.00 0.00 H new ATOM 678 N HIS A 50 -2.067 -6.639 6.514 1.00 0.00 N ATOM 679 CA HIS A 50 -2.771 -5.490 5.955 1.00 0.00 C ATOM 680 C HIS A 50 -3.868 -5.939 4.995 1.00 0.00 C ATOM 681 O HIS A 50 -5.020 -5.520 5.112 1.00 0.00 O ATOM 682 CB HIS A 50 -1.790 -4.567 5.232 1.00 0.00 C ATOM 683 CG HIS A 50 -2.456 -3.583 4.319 1.00 0.00 C ATOM 684 ND1 HIS A 50 -3.184 -2.506 4.777 1.00 0.00 N ATOM 685 CD2 HIS A 50 -2.498 -3.518 2.968 1.00 0.00 C ATOM 686 CE1 HIS A 50 -3.648 -1.821 3.747 1.00 0.00 C ATOM 687 NE2 HIS A 50 -3.245 -2.414 2.637 1.00 0.00 N ATOM 0 H HIS A 50 -1.116 -6.761 6.167 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.234 -4.944 6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.202 -4.024 5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.093 -5.173 4.653 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.340 -2.274 5.758 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.031 -4.206 2.279 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.254 -0.928 3.803 1.00 0.00 H new ATOM 696 N HIS A 51 -3.503 -6.794 4.045 1.00 0.00 N ATOM 697 CA HIS A 51 -4.456 -7.300 3.064 1.00 0.00 C ATOM 698 C HIS A 51 -5.772 -7.684 3.733 1.00 0.00 C ATOM 699 O HIS A 51 -6.814 -7.757 3.080 1.00 0.00 O ATOM 700 CB HIS A 51 -3.872 -8.507 2.329 1.00 0.00 C ATOM 701 CG HIS A 51 -4.910 -9.388 1.706 1.00 0.00 C ATOM 702 ND1 HIS A 51 -5.792 -8.947 0.742 1.00 0.00 N ATOM 703 CD2 HIS A 51 -5.204 -10.693 1.912 1.00 0.00 C ATOM 704 CE1 HIS A 51 -6.584 -9.942 0.384 1.00 0.00 C ATOM 705 NE2 HIS A 51 -6.247 -11.013 1.079 1.00 0.00 N ATOM 0 H HIS A 51 -2.554 -7.151 3.934 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.653 -6.507 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.192 -8.155 1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.279 -9.096 3.029 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.827 -8.000 0.364 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.710 -11.359 2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.373 -9.889 -0.352 1.00 0.00 H new ATOM 714 N HIS A 52 -5.717 -7.930 5.038 1.00 0.00 N ATOM 715 CA HIS A 52 -6.905 -8.307 5.795 1.00 0.00 C ATOM 716 C HIS A 52 -7.938 -7.185 5.780 1.00 0.00 C ATOM 717 O HIS A 52 -9.048 -7.343 6.290 1.00 0.00 O ATOM 718 CB HIS A 52 -6.529 -8.650 7.237 1.00 0.00 C ATOM 719 CG HIS A 52 -5.774 -9.937 7.369 1.00 0.00 C ATOM 720 ND1 HIS A 52 -5.917 -10.987 6.487 1.00 0.00 N ATOM 721 CD2 HIS A 52 -4.864 -10.340 8.286 1.00 0.00 C ATOM 722 CE1 HIS A 52 -5.128 -11.981 6.857 1.00 0.00 C ATOM 723 NE2 HIS A 52 -4.478 -11.613 7.946 1.00 0.00 N ATOM 0 H HIS A 52 -4.863 -7.875 5.593 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.343 -9.186 5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.926 -7.841 7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.437 -8.708 7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.508 -9.767 9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.031 -12.932 6.354 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.799 -12.182 8.452 1.00 0.00 H new ATOM 732 N ILE A 53 -7.565 -6.052 5.194 1.00 0.00 N ATOM 733 CA ILE A 53 -8.460 -4.904 5.113 1.00 0.00 C ATOM 734 C ILE A 53 -8.684 -4.483 3.665 1.00 0.00 C ATOM 735 O ILE A 53 -9.752 -3.983 3.310 1.00 0.00 O ATOM 736 CB ILE A 53 -7.909 -3.704 5.906 1.00 0.00 C ATOM 737 CG1 ILE A 53 -6.870 -2.949 5.074 1.00 0.00 C ATOM 738 CG2 ILE A 53 -7.305 -4.170 7.222 1.00 0.00 C ATOM 739 CD1 ILE A 53 -6.282 -1.750 5.784 1.00 0.00 C ATOM 0 H ILE A 53 -6.650 -5.905 4.769 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.410 -5.212 5.550 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.733 -3.025 6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.065 -3.633 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.332 -2.619 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.920 -3.310 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.070 -4.667 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.491 -4.867 7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.554 -1.264 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.077 -1.046 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.791 -2.075 6.701 1.00 0.00 H new ATOM 751 N CYS A 54 -7.670 -4.690 2.831 1.00 0.00 N ATOM 752 CA CYS A 54 -7.755 -4.333 1.420 1.00 0.00 C ATOM 753 C CYS A 54 -7.840 -5.582 0.547 1.00 0.00 C ATOM 754 O CYS A 54 -7.413 -6.664 0.951 1.00 0.00 O ATOM 755 CB CYS A 54 -6.544 -3.493 1.010 1.00 0.00 C ATOM 756 SG CYS A 54 -5.021 -4.459 0.754 1.00 0.00 S ATOM 0 H CYS A 54 -6.780 -5.103 3.108 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.662 -3.746 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.781 -2.958 0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.360 -2.741 1.778 1.00 0.00 H new ATOM 761 N SER A 55 -8.393 -5.424 -0.651 1.00 0.00 N ATOM 762 CA SER A 55 -8.537 -6.539 -1.579 1.00 0.00 C ATOM 763 C SER A 55 -7.173 -7.084 -1.991 1.00 0.00 C ATOM 764 O SER A 55 -6.825 -8.221 -1.676 1.00 0.00 O ATOM 765 CB SER A 55 -9.318 -6.100 -2.819 1.00 0.00 C ATOM 766 OG SER A 55 -10.644 -5.729 -2.482 1.00 0.00 O ATOM 0 H SER A 55 -8.749 -4.535 -1.002 1.00 0.00 H new ATOM 0 HA SER A 55 -9.087 -7.332 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.811 -5.259 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.338 -6.912 -3.546 1.00 0.00 H new ATOM 0 HG SER A 55 -11.122 -5.451 -3.291 1.00 0.00 H new ATOM 772 N GLY A 56 -6.402 -6.261 -2.696 1.00 0.00 N ATOM 773 CA GLY A 56 -5.085 -6.677 -3.140 1.00 0.00 C ATOM 774 C GLY A 56 -4.981 -6.761 -4.650 1.00 0.00 C ATOM 775 O GLY A 56 -5.981 -6.715 -5.366 1.00 0.00 O ATOM 0 H GLY A 56 -6.666 -5.314 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.340 -5.974 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.850 -7.650 -2.708 1.00 0.00 H new ATOM 779 N PRO A 57 -3.745 -6.884 -5.156 1.00 0.00 N ATOM 780 CA PRO A 57 -3.484 -6.976 -6.596 1.00 0.00 C ATOM 781 C PRO A 57 -3.965 -8.296 -7.189 1.00 0.00 C ATOM 782 O PRO A 57 -3.242 -9.292 -7.178 1.00 0.00 O ATOM 783 CB PRO A 57 -1.960 -6.872 -6.688 1.00 0.00 C ATOM 784 CG PRO A 57 -1.467 -7.355 -5.367 1.00 0.00 C ATOM 785 CD PRO A 57 -2.506 -6.945 -4.362 1.00 0.00 C ATOM 0 HA PRO A 57 -4.012 -6.204 -7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.570 -7.482 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.644 -5.846 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.334 -8.437 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.498 -6.916 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.585 -7.667 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.270 -5.981 -3.911 1.00 0.00 H new ATOM 793 N SER A 58 -5.190 -8.296 -7.706 1.00 0.00 N ATOM 794 CA SER A 58 -5.768 -9.495 -8.301 1.00 0.00 C ATOM 795 C SER A 58 -5.692 -10.672 -7.333 1.00 0.00 C ATOM 796 O SER A 58 -5.341 -11.786 -7.720 1.00 0.00 O ATOM 797 CB SER A 58 -5.045 -9.843 -9.603 1.00 0.00 C ATOM 798 OG SER A 58 -5.496 -9.027 -10.670 1.00 0.00 O ATOM 0 H SER A 58 -5.801 -7.479 -7.725 1.00 0.00 H new ATOM 0 HA SER A 58 -6.817 -9.294 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.971 -9.714 -9.472 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.213 -10.892 -9.847 1.00 0.00 H new ATOM 0 HG SER A 58 -5.018 -9.268 -11.491 1.00 0.00 H new ATOM 804 N SER A 59 -6.025 -10.416 -6.072 1.00 0.00 N ATOM 805 CA SER A 59 -5.991 -11.452 -5.047 1.00 0.00 C ATOM 806 C SER A 59 -7.264 -12.293 -5.082 1.00 0.00 C ATOM 807 O SER A 59 -8.130 -12.164 -4.218 1.00 0.00 O ATOM 808 CB SER A 59 -5.819 -10.825 -3.662 1.00 0.00 C ATOM 809 OG SER A 59 -4.450 -10.609 -3.367 1.00 0.00 O ATOM 0 H SER A 59 -6.321 -9.500 -5.736 1.00 0.00 H new ATOM 0 HA SER A 59 -5.140 -12.102 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.357 -9.878 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.259 -11.477 -2.907 1.00 0.00 H new ATOM 0 HG SER A 59 -4.367 -10.206 -2.478 1.00 0.00 H new ATOM 815 N GLY A 60 -7.369 -13.154 -6.089 1.00 0.00 N ATOM 816 CA GLY A 60 -8.539 -14.003 -6.220 1.00 0.00 C ATOM 817 C GLY A 60 -8.464 -15.234 -5.337 1.00 0.00 C ATOM 818 O GLY A 60 -9.207 -15.316 -4.361 1.00 0.00 O ATOM 0 H GLY A 60 -6.665 -13.279 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.430 -13.430 -5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.646 -14.312 -7.260 1.00 0.00 H new TER 822 GLY A 60 HETATM 823 ZN ZN A 201 8.325 0.044 7.556 1.00 0.00 ZN HETATM 824 ZN ZN A 401 -3.454 -2.656 0.581 1.00 0.00 ZN