USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 267 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 29 HIS HE2 : A 29 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.076 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 180:sc= -0.126 USER MOD Single : A 9 ASN : amide:sc= -0.705 K(o=-0.71,f=-1.7) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0531 F(o=-0.74,f=-0.053) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.329) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.932 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 32 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -58:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.228 7.419 22.455 1.00 0.00 N ATOM 2 CA GLY A 1 -10.297 8.300 21.774 1.00 0.00 C ATOM 3 C GLY A 1 -10.720 8.603 20.351 1.00 0.00 C ATOM 4 O GLY A 1 -10.946 7.691 19.555 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.894 7.243 23.424 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.167 7.865 22.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.291 6.517 21.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.211 9.233 22.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.308 7.842 21.766 1.00 0.00 H new ATOM 8 N SER A 2 -10.831 9.888 20.029 1.00 0.00 N ATOM 9 CA SER A 2 -11.236 10.309 18.693 1.00 0.00 C ATOM 10 C SER A 2 -10.018 10.640 17.835 1.00 0.00 C ATOM 11 O SER A 2 -9.903 10.183 16.698 1.00 0.00 O ATOM 12 CB SER A 2 -12.160 11.525 18.777 1.00 0.00 C ATOM 13 OG SER A 2 -11.506 12.622 19.391 1.00 0.00 O ATOM 0 H SER A 2 -10.646 10.655 20.675 1.00 0.00 H new ATOM 0 HA SER A 2 -11.774 9.484 18.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.487 11.807 17.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.055 11.267 19.344 1.00 0.00 H new ATOM 0 HG SER A 2 -12.117 13.387 19.431 1.00 0.00 H new ATOM 19 N SER A 3 -9.111 11.439 18.389 1.00 0.00 N ATOM 20 CA SER A 3 -7.904 11.835 17.675 1.00 0.00 C ATOM 21 C SER A 3 -6.833 10.753 17.775 1.00 0.00 C ATOM 22 O SER A 3 -6.852 9.928 18.687 1.00 0.00 O ATOM 23 CB SER A 3 -7.365 13.154 18.233 1.00 0.00 C ATOM 24 OG SER A 3 -6.976 13.013 19.588 1.00 0.00 O ATOM 0 H SER A 3 -9.190 11.824 19.330 1.00 0.00 H new ATOM 0 HA SER A 3 -8.162 11.971 16.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.512 13.482 17.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.129 13.927 18.149 1.00 0.00 H new ATOM 0 HG SER A 3 -6.634 13.869 19.921 1.00 0.00 H new ATOM 30 N GLY A 4 -5.900 10.763 16.827 1.00 0.00 N ATOM 31 CA GLY A 4 -4.834 9.778 16.826 1.00 0.00 C ATOM 32 C GLY A 4 -3.517 10.349 16.339 1.00 0.00 C ATOM 33 O GLY A 4 -2.473 10.133 16.955 1.00 0.00 O ATOM 0 H GLY A 4 -5.864 11.435 16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.705 9.385 17.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.119 8.939 16.191 1.00 0.00 H new ATOM 37 N SER A 5 -3.565 11.080 15.230 1.00 0.00 N ATOM 38 CA SER A 5 -2.365 11.680 14.658 1.00 0.00 C ATOM 39 C SER A 5 -2.674 13.051 14.063 1.00 0.00 C ATOM 40 O SER A 5 -3.832 13.382 13.806 1.00 0.00 O ATOM 41 CB SER A 5 -1.776 10.766 13.582 1.00 0.00 C ATOM 42 OG SER A 5 -1.293 9.559 14.147 1.00 0.00 O ATOM 0 H SER A 5 -4.421 11.271 14.710 1.00 0.00 H new ATOM 0 HA SER A 5 -1.635 11.806 15.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.537 10.542 12.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.965 11.281 13.067 1.00 0.00 H new ATOM 0 HG SER A 5 -0.923 8.991 13.439 1.00 0.00 H new ATOM 48 N SER A 6 -1.630 13.844 13.848 1.00 0.00 N ATOM 49 CA SER A 6 -1.788 15.181 13.287 1.00 0.00 C ATOM 50 C SER A 6 -2.792 15.173 12.138 1.00 0.00 C ATOM 51 O SER A 6 -3.679 16.022 12.067 1.00 0.00 O ATOM 52 CB SER A 6 -0.440 15.715 12.799 1.00 0.00 C ATOM 53 OG SER A 6 0.035 14.966 11.694 1.00 0.00 O ATOM 0 H SER A 6 -0.665 13.584 14.054 1.00 0.00 H new ATOM 0 HA SER A 6 -2.167 15.835 14.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.541 16.763 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.287 15.673 13.610 1.00 0.00 H new ATOM 0 HG SER A 6 0.897 15.328 11.400 1.00 0.00 H new ATOM 59 N GLY A 7 -2.644 14.205 11.238 1.00 0.00 N ATOM 60 CA GLY A 7 -3.543 14.103 10.103 1.00 0.00 C ATOM 61 C GLY A 7 -2.808 13.842 8.803 1.00 0.00 C ATOM 62 O GLY A 7 -3.166 12.934 8.054 1.00 0.00 O ATOM 0 H GLY A 7 -1.918 13.490 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.258 13.299 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.117 15.026 10.014 1.00 0.00 H new ATOM 66 N GLU A 8 -1.780 14.640 8.535 1.00 0.00 N ATOM 67 CA GLU A 8 -0.996 14.491 7.315 1.00 0.00 C ATOM 68 C GLU A 8 -0.226 13.173 7.321 1.00 0.00 C ATOM 69 O GLU A 8 0.906 13.106 7.798 1.00 0.00 O ATOM 70 CB GLU A 8 -0.023 15.662 7.161 1.00 0.00 C ATOM 71 CG GLU A 8 -0.654 16.901 6.550 1.00 0.00 C ATOM 72 CD GLU A 8 0.353 17.771 5.822 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.284 17.211 5.206 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.211 19.010 5.870 1.00 0.00 O ATOM 0 H GLU A 8 -1.471 15.396 9.146 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.684 14.486 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.384 15.917 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.815 15.347 6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.438 16.600 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.132 17.486 7.336 1.00 0.00 H new ATOM 81 N ASN A 9 -0.850 12.128 6.787 1.00 0.00 N ATOM 82 CA ASN A 9 -0.225 10.811 6.731 1.00 0.00 C ATOM 83 C ASN A 9 0.047 10.399 5.288 1.00 0.00 C ATOM 84 O ASN A 9 -0.712 9.647 4.677 1.00 0.00 O ATOM 85 CB ASN A 9 -1.117 9.771 7.411 1.00 0.00 C ATOM 86 CG ASN A 9 -1.131 9.919 8.920 1.00 0.00 C ATOM 87 OD1 ASN A 9 -0.147 10.350 9.522 1.00 0.00 O ATOM 88 ND2 ASN A 9 -2.250 9.562 9.539 1.00 0.00 N ATOM 0 H ASN A 9 -1.787 12.167 6.387 1.00 0.00 H new ATOM 0 HA ASN A 9 0.727 10.865 7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.134 9.864 7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.769 8.772 7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.319 9.640 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.041 9.210 9.000 1.00 0.00 H new ATOM 95 N PRO A 10 1.158 10.902 4.728 1.00 0.00 N ATOM 96 CA PRO A 10 1.557 10.599 3.350 1.00 0.00 C ATOM 97 C PRO A 10 2.010 9.152 3.183 1.00 0.00 C ATOM 98 O PRO A 10 2.428 8.744 2.099 1.00 0.00 O ATOM 99 CB PRO A 10 2.724 11.557 3.100 1.00 0.00 C ATOM 100 CG PRO A 10 3.280 11.838 4.453 1.00 0.00 C ATOM 101 CD PRO A 10 2.109 11.805 5.397 1.00 0.00 C ATOM 0 HA PRO A 10 0.730 10.721 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.474 11.106 2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.388 12.472 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.026 11.094 4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.774 12.809 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.395 11.431 6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.684 12.798 5.545 1.00 0.00 H new ATOM 109 N TYR A 11 1.923 8.382 4.261 1.00 0.00 N ATOM 110 CA TYR A 11 2.326 6.981 4.234 1.00 0.00 C ATOM 111 C TYR A 11 1.383 6.126 5.075 1.00 0.00 C ATOM 112 O TYR A 11 1.163 6.403 6.254 1.00 0.00 O ATOM 113 CB TYR A 11 3.760 6.831 4.744 1.00 0.00 C ATOM 114 CG TYR A 11 4.714 7.859 4.180 1.00 0.00 C ATOM 115 CD1 TYR A 11 5.171 7.767 2.871 1.00 0.00 C ATOM 116 CD2 TYR A 11 5.160 8.922 4.956 1.00 0.00 C ATOM 117 CE1 TYR A 11 6.043 8.704 2.351 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.031 9.864 4.444 1.00 0.00 C ATOM 119 CZ TYR A 11 6.470 9.751 3.141 1.00 0.00 C ATOM 120 OH TYR A 11 7.338 10.687 2.628 1.00 0.00 O ATOM 0 H TYR A 11 1.577 8.704 5.165 1.00 0.00 H new ATOM 0 HA TYR A 11 2.277 6.635 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.760 6.906 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.123 5.834 4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.839 6.949 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.820 9.013 5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.388 8.617 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.367 10.685 5.061 1.00 0.00 H new ATOM 0 HH TYR A 11 7.538 11.358 3.314 1.00 0.00 H new ATOM 130 N GLU A 12 0.830 5.086 4.460 1.00 0.00 N ATOM 131 CA GLU A 12 -0.090 4.190 5.152 1.00 0.00 C ATOM 132 C GLU A 12 -0.029 2.785 4.560 1.00 0.00 C ATOM 133 O GLU A 12 0.232 2.611 3.369 1.00 0.00 O ATOM 134 CB GLU A 12 -1.520 4.729 5.070 1.00 0.00 C ATOM 135 CG GLU A 12 -2.561 3.780 5.639 1.00 0.00 C ATOM 136 CD GLU A 12 -3.852 4.484 6.008 1.00 0.00 C ATOM 137 OE1 GLU A 12 -4.211 5.462 5.320 1.00 0.00 O ATOM 138 OE2 GLU A 12 -4.503 4.057 6.984 1.00 0.00 O ATOM 0 H GLU A 12 1.002 4.843 3.485 1.00 0.00 H new ATOM 0 HA GLU A 12 0.211 4.138 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.573 5.677 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.762 4.938 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.773 2.999 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.154 3.288 6.523 1.00 0.00 H new ATOM 145 N CYS A 13 -0.271 1.785 5.401 1.00 0.00 N ATOM 146 CA CYS A 13 -0.244 0.394 4.963 1.00 0.00 C ATOM 147 C CYS A 13 -1.510 0.043 4.187 1.00 0.00 C ATOM 148 O CYS A 13 -2.526 0.729 4.293 1.00 0.00 O ATOM 149 CB CYS A 13 -0.096 -0.538 6.167 1.00 0.00 C ATOM 150 SG CYS A 13 0.309 -2.260 5.730 1.00 0.00 S ATOM 0 H CYS A 13 -0.488 1.912 6.390 1.00 0.00 H new ATOM 0 HA CYS A 13 0.613 0.264 4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.683 -0.148 6.821 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.025 -0.528 6.737 1.00 0.00 H new ATOM 155 N SER A 14 -1.439 -1.030 3.405 1.00 0.00 N ATOM 156 CA SER A 14 -2.578 -1.471 2.608 1.00 0.00 C ATOM 157 C SER A 14 -3.196 -2.735 3.197 1.00 0.00 C ATOM 158 O SER A 14 -4.374 -3.019 2.983 1.00 0.00 O ATOM 159 CB SER A 14 -2.146 -1.727 1.162 1.00 0.00 C ATOM 160 OG SER A 14 -1.952 -0.508 0.465 1.00 0.00 O ATOM 0 H SER A 14 -0.605 -1.609 3.306 1.00 0.00 H new ATOM 0 HA SER A 14 -3.328 -0.680 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.223 -2.306 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.903 -2.324 0.653 1.00 0.00 H new ATOM 0 HG SER A 14 -1.675 -0.698 -0.456 1.00 0.00 H new ATOM 166 N GLU A 15 -2.392 -3.490 3.939 1.00 0.00 N ATOM 167 CA GLU A 15 -2.860 -4.724 4.559 1.00 0.00 C ATOM 168 C GLU A 15 -3.700 -4.427 5.797 1.00 0.00 C ATOM 169 O GLU A 15 -4.861 -4.830 5.887 1.00 0.00 O ATOM 170 CB GLU A 15 -1.674 -5.614 4.935 1.00 0.00 C ATOM 171 CG GLU A 15 -1.001 -6.268 3.740 1.00 0.00 C ATOM 172 CD GLU A 15 -0.772 -5.300 2.596 1.00 0.00 C ATOM 173 OE1 GLU A 15 -0.196 -4.219 2.841 1.00 0.00 O ATOM 174 OE2 GLU A 15 -1.169 -5.621 1.457 1.00 0.00 O ATOM 0 H GLU A 15 -1.414 -3.269 4.125 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.484 -5.249 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.938 -5.016 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.016 -6.391 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.045 -6.689 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.616 -7.098 3.391 1.00 0.00 H new ATOM 181 N CYS A 16 -3.106 -3.719 6.752 1.00 0.00 N ATOM 182 CA CYS A 16 -3.797 -3.367 7.987 1.00 0.00 C ATOM 183 C CYS A 16 -4.435 -1.985 7.878 1.00 0.00 C ATOM 184 O CYS A 16 -5.556 -1.770 8.337 1.00 0.00 O ATOM 185 CB CYS A 16 -2.824 -3.401 9.167 1.00 0.00 C ATOM 186 SG CYS A 16 -1.491 -2.163 9.068 1.00 0.00 S ATOM 0 H CYS A 16 -2.147 -3.377 6.694 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.586 -4.100 8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.383 -3.244 10.090 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.379 -4.394 9.229 1.00 0.00 H new ATOM 191 N GLY A 17 -3.712 -1.051 7.268 1.00 0.00 N ATOM 192 CA GLY A 17 -4.223 0.298 7.110 1.00 0.00 C ATOM 193 C GLY A 17 -3.664 1.254 8.144 1.00 0.00 C ATOM 194 O GLY A 17 -4.339 2.197 8.558 1.00 0.00 O ATOM 0 H GLY A 17 -2.781 -1.205 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.977 0.662 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.310 0.282 7.184 1.00 0.00 H new ATOM 198 N LYS A 18 -2.428 1.011 8.566 1.00 0.00 N ATOM 199 CA LYS A 18 -1.777 1.857 9.559 1.00 0.00 C ATOM 200 C LYS A 18 -1.066 3.031 8.893 1.00 0.00 C ATOM 201 O LYS A 18 -0.205 2.840 8.034 1.00 0.00 O ATOM 202 CB LYS A 18 -0.776 1.040 10.379 1.00 0.00 C ATOM 203 CG LYS A 18 -0.230 1.781 11.587 1.00 0.00 C ATOM 204 CD LYS A 18 0.638 0.880 12.448 1.00 0.00 C ATOM 205 CE LYS A 18 -0.204 -0.063 13.294 1.00 0.00 C ATOM 206 NZ LYS A 18 0.609 -1.175 13.860 1.00 0.00 N ATOM 0 H LYS A 18 -1.856 0.234 8.235 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.546 2.251 10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.258 0.121 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.055 0.748 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.353 2.640 11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.057 2.168 12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.306 0.300 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.266 1.490 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.670 0.496 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.010 -0.475 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.001 -1.796 14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.034 -1.724 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.362 -0.783 14.461 1.00 0.00 H new ATOM 220 N ALA A 19 -1.431 4.244 9.294 1.00 0.00 N ATOM 221 CA ALA A 19 -0.826 5.447 8.738 1.00 0.00 C ATOM 222 C ALA A 19 0.367 5.898 9.575 1.00 0.00 C ATOM 223 O ALA A 19 0.256 6.074 10.788 1.00 0.00 O ATOM 224 CB ALA A 19 -1.857 6.561 8.643 1.00 0.00 C ATOM 0 H ALA A 19 -2.143 4.419 10.003 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.467 5.213 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.391 7.454 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.676 6.244 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.244 6.785 9.637 1.00 0.00 H new ATOM 230 N PHE A 20 1.508 6.083 8.918 1.00 0.00 N ATOM 231 CA PHE A 20 2.722 6.512 9.602 1.00 0.00 C ATOM 232 C PHE A 20 3.089 7.942 9.214 1.00 0.00 C ATOM 233 O PHE A 20 2.508 8.514 8.294 1.00 0.00 O ATOM 234 CB PHE A 20 3.880 5.569 9.270 1.00 0.00 C ATOM 235 CG PHE A 20 3.624 4.143 9.666 1.00 0.00 C ATOM 236 CD1 PHE A 20 2.854 3.315 8.865 1.00 0.00 C ATOM 237 CD2 PHE A 20 4.152 3.630 10.841 1.00 0.00 C ATOM 238 CE1 PHE A 20 2.617 2.002 9.226 1.00 0.00 C ATOM 239 CE2 PHE A 20 3.918 2.318 11.207 1.00 0.00 C ATOM 240 CZ PHE A 20 3.149 1.503 10.399 1.00 0.00 C ATOM 0 H PHE A 20 1.617 5.943 7.914 1.00 0.00 H new ATOM 0 HA PHE A 20 2.534 6.482 10.675 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.076 5.611 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.781 5.921 9.773 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.434 3.700 7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.753 4.263 11.477 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.016 1.367 8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.336 1.930 12.124 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.964 0.478 10.684 1.00 0.00 H new ATOM 250 N ASN A 21 4.057 8.511 9.924 1.00 0.00 N ATOM 251 CA ASN A 21 4.502 9.874 9.656 1.00 0.00 C ATOM 252 C ASN A 21 5.675 9.881 8.681 1.00 0.00 C ATOM 253 O ASN A 21 5.758 10.737 7.799 1.00 0.00 O ATOM 254 CB ASN A 21 4.902 10.568 10.959 1.00 0.00 C ATOM 255 CG ASN A 21 3.876 10.373 12.057 1.00 0.00 C ATOM 256 OD1 ASN A 21 3.902 9.206 12.691 1.00 0.00 O flip ATOM 257 ND2 ASN A 21 3.068 11.260 12.333 1.00 0.00 N flip ATOM 0 H ASN A 21 4.549 8.050 10.689 1.00 0.00 H new ATOM 0 HA ASN A 21 3.673 10.418 9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.865 10.181 11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.034 11.634 10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.084 12.142 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.383 11.113 13.074 1.00 0.00 H new ATOM 264 N ARG A 22 6.580 8.922 8.845 1.00 0.00 N ATOM 265 CA ARG A 22 7.750 8.819 7.981 1.00 0.00 C ATOM 266 C ARG A 22 7.618 7.633 7.029 1.00 0.00 C ATOM 267 O ARG A 22 7.014 6.615 7.367 1.00 0.00 O ATOM 268 CB ARG A 22 9.020 8.673 8.820 1.00 0.00 C ATOM 269 CG ARG A 22 9.314 9.882 9.695 1.00 0.00 C ATOM 270 CD ARG A 22 10.126 10.926 8.947 1.00 0.00 C ATOM 271 NE ARG A 22 10.436 12.082 9.784 1.00 0.00 N ATOM 272 CZ ARG A 22 10.696 13.292 9.301 1.00 0.00 C ATOM 273 NH1 ARG A 22 10.683 13.503 7.992 1.00 0.00 N ATOM 274 NH2 ARG A 22 10.969 14.293 10.128 1.00 0.00 N ATOM 0 H ARG A 22 6.526 8.205 9.568 1.00 0.00 H new ATOM 0 HA ARG A 22 7.817 9.733 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.928 7.791 9.453 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.867 8.501 8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.377 10.323 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.858 9.565 10.585 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.053 10.477 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.572 11.254 8.067 1.00 0.00 H new ATOM 0 HE ARG A 22 10.454 11.953 10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.473 12.736 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.883 14.433 7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.979 14.134 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.169 15.222 9.756 1.00 0.00 H new ATOM 288 N LYS A 23 8.188 7.773 5.836 1.00 0.00 N ATOM 289 CA LYS A 23 8.136 6.715 4.835 1.00 0.00 C ATOM 290 C LYS A 23 8.876 5.472 5.317 1.00 0.00 C ATOM 291 O LYS A 23 8.409 4.348 5.130 1.00 0.00 O ATOM 292 CB LYS A 23 8.742 7.202 3.516 1.00 0.00 C ATOM 293 CG LYS A 23 8.775 6.139 2.432 1.00 0.00 C ATOM 294 CD LYS A 23 8.845 6.758 1.046 1.00 0.00 C ATOM 295 CE LYS A 23 10.282 7.020 0.625 1.00 0.00 C ATOM 296 NZ LYS A 23 10.989 5.763 0.251 1.00 0.00 N ATOM 0 H LYS A 23 8.691 8.609 5.540 1.00 0.00 H new ATOM 0 HA LYS A 23 7.090 6.454 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.170 8.057 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.757 7.553 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.636 5.489 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.886 5.513 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.369 6.093 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.285 7.693 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.293 7.708 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.816 7.508 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.853 5.995 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.241 5.237 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.367 5.178 -0.342 1.00 0.00 H new ATOM 310 N ASP A 24 10.030 5.681 5.941 1.00 0.00 N ATOM 311 CA ASP A 24 10.833 4.576 6.453 1.00 0.00 C ATOM 312 C ASP A 24 10.061 3.785 7.504 1.00 0.00 C ATOM 313 O ASP A 24 10.037 2.555 7.473 1.00 0.00 O ATOM 314 CB ASP A 24 12.140 5.102 7.050 1.00 0.00 C ATOM 315 CG ASP A 24 11.953 6.416 7.784 1.00 0.00 C ATOM 316 OD1 ASP A 24 12.021 7.476 7.128 1.00 0.00 O ATOM 317 OD2 ASP A 24 11.741 6.383 9.014 1.00 0.00 O ATOM 0 H ASP A 24 10.430 6.605 6.105 1.00 0.00 H new ATOM 0 HA ASP A 24 11.064 3.911 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.547 4.360 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.872 5.235 6.254 1.00 0.00 H new ATOM 322 N GLN A 25 9.434 4.499 8.433 1.00 0.00 N ATOM 323 CA GLN A 25 8.663 3.862 9.494 1.00 0.00 C ATOM 324 C GLN A 25 7.618 2.915 8.914 1.00 0.00 C ATOM 325 O GLN A 25 7.302 1.883 9.509 1.00 0.00 O ATOM 326 CB GLN A 25 7.983 4.920 10.364 1.00 0.00 C ATOM 327 CG GLN A 25 8.943 5.669 11.274 1.00 0.00 C ATOM 328 CD GLN A 25 8.228 6.471 12.344 1.00 0.00 C ATOM 329 OE1 GLN A 25 7.746 7.652 11.976 1.00 0.00 O flip ATOM 330 NE2 GLN A 25 8.111 6.033 13.489 1.00 0.00 N flip ATOM 0 H GLN A 25 9.445 5.518 8.473 1.00 0.00 H new ATOM 0 HA GLN A 25 9.350 3.282 10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.474 5.636 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.218 4.440 10.974 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.617 4.957 11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.558 6.339 10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.497 5.120 13.728 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.628 6.584 14.199 1.00 0.00 H new ATOM 339 N LEU A 26 7.085 3.271 7.751 1.00 0.00 N ATOM 340 CA LEU A 26 6.075 2.452 7.090 1.00 0.00 C ATOM 341 C LEU A 26 6.713 1.252 6.398 1.00 0.00 C ATOM 342 O LEU A 26 6.242 0.122 6.532 1.00 0.00 O ATOM 343 CB LEU A 26 5.298 3.289 6.072 1.00 0.00 C ATOM 344 CG LEU A 26 4.516 2.506 5.016 1.00 0.00 C ATOM 345 CD1 LEU A 26 3.234 1.942 5.609 1.00 0.00 C ATOM 346 CD2 LEU A 26 4.207 3.390 3.817 1.00 0.00 C ATOM 0 H LEU A 26 7.335 4.121 7.246 1.00 0.00 H new ATOM 0 HA LEU A 26 5.386 2.084 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.600 3.927 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.001 3.947 5.561 1.00 0.00 H new ATOM 0 HG LEU A 26 5.133 1.673 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.691 1.388 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.478 1.274 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.612 2.759 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.650 2.816 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.610 4.244 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.139 3.744 3.376 1.00 0.00 H new ATOM 358 N ILE A 27 7.788 1.505 5.659 1.00 0.00 N ATOM 359 CA ILE A 27 8.493 0.445 4.949 1.00 0.00 C ATOM 360 C ILE A 27 8.885 -0.685 5.895 1.00 0.00 C ATOM 361 O ILE A 27 8.540 -1.844 5.670 1.00 0.00 O ATOM 362 CB ILE A 27 9.759 0.979 4.253 1.00 0.00 C ATOM 363 CG1 ILE A 27 9.386 2.023 3.199 1.00 0.00 C ATOM 364 CG2 ILE A 27 10.539 -0.165 3.621 1.00 0.00 C ATOM 365 CD1 ILE A 27 10.579 2.752 2.622 1.00 0.00 C ATOM 0 H ILE A 27 8.190 2.435 5.536 1.00 0.00 H new ATOM 0 HA ILE A 27 7.807 0.061 4.194 1.00 0.00 H new ATOM 0 HB ILE A 27 10.393 1.456 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.844 1.533 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.707 2.750 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.431 0.228 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.832 -0.876 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.914 -0.668 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.240 3.476 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.110 3.271 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.249 2.035 2.147 1.00 0.00 H new ATOM 377 N SER A 28 9.607 -0.337 6.956 1.00 0.00 N ATOM 378 CA SER A 28 10.048 -1.322 7.937 1.00 0.00 C ATOM 379 C SER A 28 8.855 -2.053 8.546 1.00 0.00 C ATOM 380 O SER A 28 8.959 -3.217 8.936 1.00 0.00 O ATOM 381 CB SER A 28 10.863 -0.645 9.040 1.00 0.00 C ATOM 382 OG SER A 28 11.293 -1.587 10.007 1.00 0.00 O ATOM 0 H SER A 28 9.899 0.619 7.158 1.00 0.00 H new ATOM 0 HA SER A 28 10.677 -2.051 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.728 -0.147 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.260 0.125 9.521 1.00 0.00 H new ATOM 0 HG SER A 28 11.813 -1.130 10.700 1.00 0.00 H new ATOM 388 N HIS A 29 7.723 -1.362 8.625 1.00 0.00 N ATOM 389 CA HIS A 29 6.509 -1.944 9.186 1.00 0.00 C ATOM 390 C HIS A 29 5.897 -2.957 8.224 1.00 0.00 C ATOM 391 O HIS A 29 5.337 -3.969 8.646 1.00 0.00 O ATOM 392 CB HIS A 29 5.492 -0.848 9.506 1.00 0.00 C ATOM 393 CG HIS A 29 4.071 -1.317 9.459 1.00 0.00 C ATOM 394 ND1 HIS A 29 3.454 -1.955 10.514 1.00 0.00 N ATOM 395 CD2 HIS A 29 3.144 -1.237 8.476 1.00 0.00 C ATOM 396 CE1 HIS A 29 2.209 -2.248 10.182 1.00 0.00 C ATOM 397 NE2 HIS A 29 1.996 -1.823 8.950 1.00 0.00 N ATOM 0 H HIS A 29 7.621 -0.398 8.308 1.00 0.00 H new ATOM 0 HA HIS A 29 6.777 -2.460 10.108 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.701 -0.448 10.498 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.619 -0.028 8.799 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.891 -2.168 11.411 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.282 -0.795 7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.488 -2.750 10.811 1.00 0.00 H new ATOM 405 N GLN A 30 6.007 -2.678 6.929 1.00 0.00 N ATOM 406 CA GLN A 30 5.463 -3.564 5.907 1.00 0.00 C ATOM 407 C GLN A 30 6.039 -4.970 6.043 1.00 0.00 C ATOM 408 O GLN A 30 5.409 -5.950 5.647 1.00 0.00 O ATOM 409 CB GLN A 30 5.759 -3.011 4.512 1.00 0.00 C ATOM 410 CG GLN A 30 4.844 -1.868 4.104 1.00 0.00 C ATOM 411 CD GLN A 30 5.139 -1.353 2.709 1.00 0.00 C ATOM 412 OE1 GLN A 30 5.967 -1.914 1.991 1.00 0.00 O ATOM 413 NE2 GLN A 30 4.461 -0.281 2.317 1.00 0.00 N ATOM 0 H GLN A 30 6.468 -1.845 6.563 1.00 0.00 H new ATOM 0 HA GLN A 30 4.383 -3.618 6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.793 -2.667 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.667 -3.817 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.808 -2.203 4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.949 -1.051 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.784 0.152 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.617 0.110 1.388 1.00 0.00 H new ATOM 422 N ARG A 31 7.241 -5.059 6.604 1.00 0.00 N ATOM 423 CA ARG A 31 7.903 -6.345 6.791 1.00 0.00 C ATOM 424 C ARG A 31 7.035 -7.288 7.619 1.00 0.00 C ATOM 425 O ARG A 31 7.157 -8.510 7.521 1.00 0.00 O ATOM 426 CB ARG A 31 9.258 -6.150 7.472 1.00 0.00 C ATOM 427 CG ARG A 31 10.244 -5.340 6.646 1.00 0.00 C ATOM 428 CD ARG A 31 11.681 -5.740 6.944 1.00 0.00 C ATOM 429 NE ARG A 31 12.150 -5.193 8.215 1.00 0.00 N ATOM 430 CZ ARG A 31 12.621 -3.959 8.354 1.00 0.00 C ATOM 431 NH1 ARG A 31 12.686 -3.148 7.306 1.00 0.00 N ATOM 432 NH2 ARG A 31 13.029 -3.533 9.542 1.00 0.00 N ATOM 0 H ARG A 31 7.776 -4.257 6.937 1.00 0.00 H new ATOM 0 HA ARG A 31 8.059 -6.792 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.105 -5.653 8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.692 -7.127 7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.037 -5.485 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.110 -4.279 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.757 -6.827 6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.328 -5.392 6.139 1.00 0.00 H new ATOM 0 HE ARG A 31 12.114 -5.791 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.374 -3.472 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.048 -2.201 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.981 -4.153 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.391 -2.585 9.647 1.00 0.00 H new ATOM 446 N THR A 32 6.159 -6.713 8.437 1.00 0.00 N ATOM 447 CA THR A 32 5.273 -7.501 9.284 1.00 0.00 C ATOM 448 C THR A 32 4.243 -8.256 8.451 1.00 0.00 C ATOM 449 O THR A 32 3.706 -9.276 8.884 1.00 0.00 O ATOM 450 CB THR A 32 4.538 -6.614 10.307 1.00 0.00 C ATOM 451 OG1 THR A 32 3.700 -5.673 9.627 1.00 0.00 O ATOM 452 CG2 THR A 32 5.529 -5.873 11.191 1.00 0.00 C ATOM 0 H THR A 32 6.044 -5.704 8.531 1.00 0.00 H new ATOM 0 HA THR A 32 5.900 -8.216 9.817 1.00 0.00 H new ATOM 0 HB THR A 32 3.924 -7.257 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.258 -5.013 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.987 -5.253 11.905 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.145 -6.593 11.730 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.166 -5.241 10.573 1.00 0.00 H new ATOM 460 N HIS A 33 3.973 -7.749 7.252 1.00 0.00 N ATOM 461 CA HIS A 33 3.008 -8.378 6.357 1.00 0.00 C ATOM 462 C HIS A 33 3.717 -9.129 5.234 1.00 0.00 C ATOM 463 O HIS A 33 3.230 -9.184 4.106 1.00 0.00 O ATOM 464 CB HIS A 33 2.068 -7.326 5.767 1.00 0.00 C ATOM 465 CG HIS A 33 1.425 -6.451 6.799 1.00 0.00 C ATOM 466 ND1 HIS A 33 0.541 -6.927 7.745 1.00 0.00 N ATOM 467 CD2 HIS A 33 1.544 -5.123 7.033 1.00 0.00 C ATOM 468 CE1 HIS A 33 0.143 -5.930 8.513 1.00 0.00 C ATOM 469 NE2 HIS A 33 0.737 -4.824 8.103 1.00 0.00 N ATOM 0 H HIS A 33 4.408 -6.906 6.878 1.00 0.00 H new ATOM 0 HA HIS A 33 2.425 -9.093 6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.627 -6.701 5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.290 -7.828 5.192 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.242 -7.898 7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.159 -4.428 6.481 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.551 -6.006 9.337 1.00 0.00 H new ATOM 477 N ALA A 34 4.871 -9.706 5.552 1.00 0.00 N ATOM 478 CA ALA A 34 5.647 -10.455 4.571 1.00 0.00 C ATOM 479 C ALA A 34 5.491 -11.958 4.779 1.00 0.00 C ATOM 480 O ALA A 34 5.141 -12.689 3.854 1.00 0.00 O ATOM 481 CB ALA A 34 7.114 -10.059 4.645 1.00 0.00 C ATOM 0 H ALA A 34 5.289 -9.669 6.482 1.00 0.00 H new ATOM 0 HA ALA A 34 5.266 -10.211 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.682 -10.626 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.214 -8.993 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.499 -10.274 5.642 1.00 0.00 H new ATOM 487 N GLY A 35 5.755 -12.412 6.001 1.00 0.00 N ATOM 488 CA GLY A 35 5.639 -13.826 6.307 1.00 0.00 C ATOM 489 C GLY A 35 6.984 -14.524 6.342 1.00 0.00 C ATOM 490 O GLY A 35 7.970 -14.010 5.815 1.00 0.00 O ATOM 0 H GLY A 35 6.047 -11.826 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.145 -13.947 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.004 -14.305 5.562 1.00 0.00 H new ATOM 494 N GLU A 36 7.024 -15.697 6.966 1.00 0.00 N ATOM 495 CA GLU A 36 8.260 -16.464 7.069 1.00 0.00 C ATOM 496 C GLU A 36 9.024 -16.446 5.748 1.00 0.00 C ATOM 497 O GLU A 36 8.433 -16.570 4.675 1.00 0.00 O ATOM 498 CB GLU A 36 7.957 -17.908 7.476 1.00 0.00 C ATOM 499 CG GLU A 36 9.187 -18.689 7.909 1.00 0.00 C ATOM 500 CD GLU A 36 9.957 -17.997 9.017 1.00 0.00 C ATOM 501 OE1 GLU A 36 9.548 -18.124 10.191 1.00 0.00 O ATOM 502 OE2 GLU A 36 10.967 -17.330 8.712 1.00 0.00 O ATOM 0 H GLU A 36 6.216 -16.136 7.407 1.00 0.00 H new ATOM 0 HA GLU A 36 8.882 -16.001 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.234 -17.903 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.487 -18.422 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.883 -19.680 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.843 -18.832 7.050 1.00 0.00 H new ATOM 509 N SER A 37 10.341 -16.290 5.835 1.00 0.00 N ATOM 510 CA SER A 37 11.186 -16.251 4.647 1.00 0.00 C ATOM 511 C SER A 37 11.656 -17.652 4.269 1.00 0.00 C ATOM 512 O SER A 37 12.820 -17.857 3.928 1.00 0.00 O ATOM 513 CB SER A 37 12.393 -15.342 4.884 1.00 0.00 C ATOM 514 OG SER A 37 11.986 -14.059 5.327 1.00 0.00 O ATOM 0 H SER A 37 10.846 -16.189 6.715 1.00 0.00 H new ATOM 0 HA SER A 37 10.595 -15.851 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.052 -15.794 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.967 -15.247 3.962 1.00 0.00 H new ATOM 0 HG SER A 37 12.776 -13.498 5.473 1.00 0.00 H new ATOM 520 N GLY A 38 10.741 -18.614 4.332 1.00 0.00 N ATOM 521 CA GLY A 38 11.080 -19.984 3.994 1.00 0.00 C ATOM 522 C GLY A 38 10.697 -20.342 2.571 1.00 0.00 C ATOM 523 O GLY A 38 11.547 -20.467 1.690 1.00 0.00 O ATOM 0 H GLY A 38 9.771 -18.469 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.151 -20.133 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.576 -20.661 4.684 1.00 0.00 H new ATOM 527 N PRO A 39 9.389 -20.514 2.332 1.00 0.00 N ATOM 528 CA PRO A 39 8.865 -20.864 1.008 1.00 0.00 C ATOM 529 C PRO A 39 8.996 -19.717 0.012 1.00 0.00 C ATOM 530 O PRO A 39 8.600 -19.840 -1.147 1.00 0.00 O ATOM 531 CB PRO A 39 7.390 -21.171 1.280 1.00 0.00 C ATOM 532 CG PRO A 39 7.063 -20.398 2.510 1.00 0.00 C ATOM 533 CD PRO A 39 8.319 -20.381 3.336 1.00 0.00 C ATOM 0 HA PRO A 39 9.411 -21.694 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.762 -20.867 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.229 -22.239 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.746 -19.385 2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.243 -20.864 3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.414 -19.456 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.338 -21.200 4.055 1.00 0.00 H new ATOM 541 N SER A 40 9.555 -18.602 0.471 1.00 0.00 N ATOM 542 CA SER A 40 9.735 -17.431 -0.380 1.00 0.00 C ATOM 543 C SER A 40 11.170 -16.919 -0.302 1.00 0.00 C ATOM 544 O SER A 40 11.805 -16.975 0.751 1.00 0.00 O ATOM 545 CB SER A 40 8.763 -16.323 0.029 1.00 0.00 C ATOM 546 OG SER A 40 8.874 -16.032 1.411 1.00 0.00 O ATOM 0 H SER A 40 9.891 -18.485 1.427 1.00 0.00 H new ATOM 0 HA SER A 40 9.528 -17.724 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.966 -15.424 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.742 -16.627 -0.201 1.00 0.00 H new ATOM 0 HG SER A 40 8.244 -15.320 1.647 1.00 0.00 H new ATOM 552 N SER A 41 11.676 -16.420 -1.426 1.00 0.00 N ATOM 553 CA SER A 41 13.037 -15.900 -1.488 1.00 0.00 C ATOM 554 C SER A 41 14.053 -17.009 -1.235 1.00 0.00 C ATOM 555 O SER A 41 15.034 -16.817 -0.518 1.00 0.00 O ATOM 556 CB SER A 41 13.224 -14.779 -0.464 1.00 0.00 C ATOM 557 OG SER A 41 14.416 -14.054 -0.714 1.00 0.00 O ATOM 0 H SER A 41 11.163 -16.365 -2.306 1.00 0.00 H new ATOM 0 HA SER A 41 13.202 -15.500 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.369 -14.103 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.255 -15.201 0.540 1.00 0.00 H new ATOM 0 HG SER A 41 15.181 -14.666 -0.696 1.00 0.00 H new ATOM 563 N GLY A 42 13.810 -18.173 -1.831 1.00 0.00 N ATOM 564 CA GLY A 42 14.712 -19.297 -1.659 1.00 0.00 C ATOM 565 C GLY A 42 15.414 -19.680 -2.947 1.00 0.00 C ATOM 566 O GLY A 42 16.588 -19.352 -3.109 1.00 0.00 O ATOM 0 H GLY A 42 13.005 -18.357 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.457 -19.049 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.152 -20.154 -1.285 1.00 0.00 H new TER 570 GLY A 42 HETATM 571 ZN ZN A 200 0.495 -2.801 7.990 1.00 0.00 ZN