USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 279 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0832 (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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.56) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0018 K(o=-0.0018,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -50:sc= 0.641 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 46:sc= 0.411 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.551 5.076 5.096 1.00 0.00 N ATOM 2 CA GLY A 1 28.470 5.404 6.007 1.00 0.00 C ATOM 3 C GLY A 1 27.861 4.174 6.650 1.00 0.00 C ATOM 4 O GLY A 1 28.223 3.046 6.315 1.00 0.00 O ATOM 0 H1 GLY A 1 30.435 5.504 5.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.663 4.043 5.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.331 5.445 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.844 6.070 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.696 5.949 5.466 1.00 0.00 H new ATOM 8 N SER A 2 26.935 4.390 7.579 1.00 0.00 N ATOM 9 CA SER A 2 26.279 3.290 8.275 1.00 0.00 C ATOM 10 C SER A 2 24.840 3.126 7.797 1.00 0.00 C ATOM 11 O SER A 2 24.239 4.062 7.269 1.00 0.00 O ATOM 12 CB SER A 2 26.302 3.529 9.786 1.00 0.00 C ATOM 13 OG SER A 2 26.080 2.322 10.496 1.00 0.00 O ATOM 0 H SER A 2 26.622 5.317 7.867 1.00 0.00 H new ATOM 0 HA SER A 2 26.825 2.374 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.263 3.954 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.537 4.258 10.054 1.00 0.00 H new ATOM 0 HG SER A 2 26.101 2.501 11.459 1.00 0.00 H new ATOM 19 N SER A 3 24.293 1.929 7.985 1.00 0.00 N ATOM 20 CA SER A 3 22.925 1.640 7.570 1.00 0.00 C ATOM 21 C SER A 3 21.921 2.281 8.523 1.00 0.00 C ATOM 22 O SER A 3 22.298 2.876 9.531 1.00 0.00 O ATOM 23 CB SER A 3 22.697 0.128 7.511 1.00 0.00 C ATOM 24 OG SER A 3 23.414 -0.455 6.437 1.00 0.00 O ATOM 0 H SER A 3 24.776 1.144 8.422 1.00 0.00 H new ATOM 0 HA SER A 3 22.776 2.062 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.010 -0.327 8.451 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.633 -0.078 7.396 1.00 0.00 H new ATOM 0 HG SER A 3 23.253 -1.422 6.422 1.00 0.00 H new ATOM 30 N GLY A 4 20.639 2.153 8.195 1.00 0.00 N ATOM 31 CA GLY A 4 19.599 2.725 9.031 1.00 0.00 C ATOM 32 C GLY A 4 18.830 1.670 9.801 1.00 0.00 C ATOM 33 O GLY A 4 19.408 0.923 10.590 1.00 0.00 O ATOM 0 H GLY A 4 20.302 1.664 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.047 3.429 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.907 3.293 8.408 1.00 0.00 H new ATOM 37 N SER A 5 17.521 1.611 9.575 1.00 0.00 N ATOM 38 CA SER A 5 16.670 0.644 10.258 1.00 0.00 C ATOM 39 C SER A 5 16.525 -0.631 9.432 1.00 0.00 C ATOM 40 O SER A 5 16.056 -0.596 8.295 1.00 0.00 O ATOM 41 CB SER A 5 15.292 1.249 10.531 1.00 0.00 C ATOM 42 OG SER A 5 14.490 0.367 11.297 1.00 0.00 O ATOM 0 H SER A 5 17.027 2.222 8.924 1.00 0.00 H new ATOM 0 HA SER A 5 17.141 0.389 11.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.405 2.195 11.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.795 1.470 9.586 1.00 0.00 H new ATOM 0 HG SER A 5 13.615 0.778 11.459 1.00 0.00 H new ATOM 48 N SER A 6 16.930 -1.755 10.014 1.00 0.00 N ATOM 49 CA SER A 6 16.849 -3.041 9.332 1.00 0.00 C ATOM 50 C SER A 6 15.542 -3.752 9.667 1.00 0.00 C ATOM 51 O SER A 6 15.210 -3.948 10.835 1.00 0.00 O ATOM 52 CB SER A 6 18.037 -3.924 9.720 1.00 0.00 C ATOM 53 OG SER A 6 19.231 -3.472 9.104 1.00 0.00 O ATOM 0 H SER A 6 17.318 -1.801 10.956 1.00 0.00 H new ATOM 0 HA SER A 6 16.878 -2.857 8.258 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.159 -3.920 10.803 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.840 -4.955 9.425 1.00 0.00 H new ATOM 0 HG SER A 6 19.975 -4.052 9.369 1.00 0.00 H new ATOM 59 N GLY A 7 14.802 -4.137 8.631 1.00 0.00 N ATOM 60 CA GLY A 7 13.539 -4.823 8.835 1.00 0.00 C ATOM 61 C GLY A 7 13.653 -6.321 8.634 1.00 0.00 C ATOM 62 O GLY A 7 14.712 -6.826 8.259 1.00 0.00 O ATOM 0 H GLY A 7 15.055 -3.986 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.179 -4.621 9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.796 -4.423 8.145 1.00 0.00 H new ATOM 66 N THR A 8 12.561 -7.035 8.887 1.00 0.00 N ATOM 67 CA THR A 8 12.543 -8.484 8.735 1.00 0.00 C ATOM 68 C THR A 8 11.236 -8.955 8.107 1.00 0.00 C ATOM 69 O THR A 8 10.166 -8.814 8.698 1.00 0.00 O ATOM 70 CB THR A 8 12.734 -9.194 10.089 1.00 0.00 C ATOM 71 OG1 THR A 8 13.882 -8.664 10.762 1.00 0.00 O ATOM 72 CG2 THR A 8 12.902 -10.693 9.895 1.00 0.00 C ATOM 0 H THR A 8 11.677 -6.633 9.198 1.00 0.00 H new ATOM 0 HA THR A 8 13.373 -8.743 8.077 1.00 0.00 H new ATOM 0 HB THR A 8 11.845 -9.019 10.695 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.996 -9.119 11.622 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.035 -11.173 10.865 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.015 -11.099 9.408 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.776 -10.884 9.273 1.00 0.00 H new ATOM 80 N GLY A 9 11.331 -9.517 6.906 1.00 0.00 N ATOM 81 CA GLY A 9 10.148 -10.001 6.218 1.00 0.00 C ATOM 82 C GLY A 9 9.832 -9.199 4.972 1.00 0.00 C ATOM 83 O GLY A 9 9.380 -8.058 5.059 1.00 0.00 O ATOM 0 H GLY A 9 12.206 -9.646 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.292 -11.047 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.296 -9.963 6.897 1.00 0.00 H new ATOM 87 N GLU A 10 10.074 -9.796 3.809 1.00 0.00 N ATOM 88 CA GLU A 10 9.815 -9.126 2.539 1.00 0.00 C ATOM 89 C GLU A 10 8.528 -9.646 1.903 1.00 0.00 C ATOM 90 O GLU A 10 8.535 -10.653 1.197 1.00 0.00 O ATOM 91 CB GLU A 10 10.989 -9.331 1.580 1.00 0.00 C ATOM 92 CG GLU A 10 11.141 -8.218 0.557 1.00 0.00 C ATOM 93 CD GLU A 10 12.581 -8.009 0.132 1.00 0.00 C ATOM 94 OE1 GLU A 10 13.078 -8.803 -0.694 1.00 0.00 O ATOM 95 OE2 GLU A 10 13.212 -7.051 0.625 1.00 0.00 O ATOM 0 H GLU A 10 10.448 -10.741 3.720 1.00 0.00 H new ATOM 0 HA GLU A 10 9.699 -8.060 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.910 -9.410 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.859 -10.278 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.537 -8.451 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.751 -7.290 0.975 1.00 0.00 H new ATOM 102 N ASN A 11 7.425 -8.950 2.161 1.00 0.00 N ATOM 103 CA ASN A 11 6.130 -9.340 1.615 1.00 0.00 C ATOM 104 C ASN A 11 5.752 -8.459 0.428 1.00 0.00 C ATOM 105 O ASN A 11 6.234 -7.336 0.278 1.00 0.00 O ATOM 106 CB ASN A 11 5.050 -9.251 2.695 1.00 0.00 C ATOM 107 CG ASN A 11 5.058 -10.453 3.620 1.00 0.00 C ATOM 108 OD1 ASN A 11 5.171 -11.594 3.173 1.00 0.00 O ATOM 109 ND2 ASN A 11 4.936 -10.201 4.918 1.00 0.00 N ATOM 0 H ASN A 11 7.402 -8.114 2.744 1.00 0.00 H new ATOM 0 HA ASN A 11 6.205 -10.371 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.199 -8.344 3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.072 -9.167 2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.933 -10.969 5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.845 -9.239 5.244 1.00 0.00 H new ATOM 116 N PRO A 12 4.867 -8.978 -0.436 1.00 0.00 N ATOM 117 CA PRO A 12 4.404 -8.256 -1.624 1.00 0.00 C ATOM 118 C PRO A 12 3.510 -7.071 -1.270 1.00 0.00 C ATOM 119 O PRO A 12 2.993 -6.386 -2.153 1.00 0.00 O ATOM 120 CB PRO A 12 3.609 -9.313 -2.395 1.00 0.00 C ATOM 121 CG PRO A 12 3.162 -10.283 -1.356 1.00 0.00 C ATOM 122 CD PRO A 12 4.252 -10.311 -0.320 1.00 0.00 C ATOM 0 HA PRO A 12 5.232 -7.829 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.759 -8.869 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.226 -9.799 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.213 -9.975 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.007 -11.272 -1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.852 -10.484 0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.973 -11.105 -0.516 1.00 0.00 H new ATOM 130 N TYR A 13 3.334 -6.836 0.025 1.00 0.00 N ATOM 131 CA TYR A 13 2.501 -5.736 0.496 1.00 0.00 C ATOM 132 C TYR A 13 3.164 -5.011 1.663 1.00 0.00 C ATOM 133 O TYR A 13 3.197 -5.518 2.783 1.00 0.00 O ATOM 134 CB TYR A 13 1.125 -6.253 0.918 1.00 0.00 C ATOM 135 CG TYR A 13 0.449 -7.103 -0.134 1.00 0.00 C ATOM 136 CD1 TYR A 13 -0.227 -6.519 -1.198 1.00 0.00 C ATOM 137 CD2 TYR A 13 0.487 -8.490 -0.064 1.00 0.00 C ATOM 138 CE1 TYR A 13 -0.847 -7.292 -2.161 1.00 0.00 C ATOM 139 CE2 TYR A 13 -0.128 -9.271 -1.024 1.00 0.00 C ATOM 140 CZ TYR A 13 -0.795 -8.667 -2.069 1.00 0.00 C ATOM 141 OH TYR A 13 -1.410 -9.441 -3.027 1.00 0.00 O ATOM 0 H TYR A 13 3.757 -7.393 0.768 1.00 0.00 H new ATOM 0 HA TYR A 13 2.380 -5.030 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.230 -6.837 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.484 -5.404 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.269 -5.442 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.006 -8.966 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.369 -6.822 -2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.087 -10.348 -0.956 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.278 -10.389 -2.816 1.00 0.00 H new ATOM 151 N GLU A 14 3.691 -3.821 1.390 1.00 0.00 N ATOM 152 CA GLU A 14 4.354 -3.026 2.417 1.00 0.00 C ATOM 153 C GLU A 14 3.897 -1.571 2.358 1.00 0.00 C ATOM 154 O GLU A 14 3.734 -1.003 1.278 1.00 0.00 O ATOM 155 CB GLU A 14 5.873 -3.102 2.250 1.00 0.00 C ATOM 156 CG GLU A 14 6.633 -2.143 3.152 1.00 0.00 C ATOM 157 CD GLU A 14 6.864 -0.792 2.504 1.00 0.00 C ATOM 158 OE1 GLU A 14 6.758 -0.702 1.264 1.00 0.00 O ATOM 159 OE2 GLU A 14 7.150 0.176 3.240 1.00 0.00 O ATOM 0 H GLU A 14 3.672 -3.387 0.467 1.00 0.00 H new ATOM 0 HA GLU A 14 4.082 -3.435 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.202 -4.120 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.127 -2.889 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.078 -2.006 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.594 -2.584 3.417 1.00 0.00 H new ATOM 166 N CYS A 15 3.690 -0.975 3.528 1.00 0.00 N ATOM 167 CA CYS A 15 3.250 0.412 3.612 1.00 0.00 C ATOM 168 C CYS A 15 4.444 1.362 3.612 1.00 0.00 C ATOM 169 O CYS A 15 5.312 1.287 4.482 1.00 0.00 O ATOM 170 CB CYS A 15 2.413 0.628 4.874 1.00 0.00 C ATOM 171 SG CYS A 15 2.198 2.378 5.334 1.00 0.00 S ATOM 0 H CYS A 15 3.820 -1.431 4.431 1.00 0.00 H new ATOM 0 HA CYS A 15 2.637 0.626 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.431 0.179 4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.884 0.101 5.704 1.00 0.00 H new ATOM 176 N CYS A 16 4.482 2.256 2.629 1.00 0.00 N ATOM 177 CA CYS A 16 5.569 3.221 2.514 1.00 0.00 C ATOM 178 C CYS A 16 5.245 4.500 3.282 1.00 0.00 C ATOM 179 O CYS A 16 6.142 5.246 3.670 1.00 0.00 O ATOM 180 CB CYS A 16 5.833 3.550 1.043 1.00 0.00 C ATOM 181 SG CYS A 16 7.513 4.171 0.710 1.00 0.00 S ATOM 0 H CYS A 16 3.772 2.332 1.900 1.00 0.00 H new ATOM 0 HA CYS A 16 6.465 2.775 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.663 2.654 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.110 4.295 0.713 1.00 0.00 H new ATOM 0 HG CYS A 16 7.640 4.419 -0.560 1.00 0.00 H new ATOM 186 N GLU A 17 3.955 4.744 3.496 1.00 0.00 N ATOM 187 CA GLU A 17 3.513 5.932 4.217 1.00 0.00 C ATOM 188 C GLU A 17 4.250 6.067 5.546 1.00 0.00 C ATOM 189 O GLU A 17 4.634 7.166 5.947 1.00 0.00 O ATOM 190 CB GLU A 17 2.004 5.875 4.461 1.00 0.00 C ATOM 191 CG GLU A 17 1.176 6.279 3.253 1.00 0.00 C ATOM 192 CD GLU A 17 1.192 5.231 2.157 1.00 0.00 C ATOM 193 OE1 GLU A 17 0.411 4.261 2.252 1.00 0.00 O ATOM 194 OE2 GLU A 17 1.985 5.382 1.205 1.00 0.00 O ATOM 0 H GLU A 17 3.199 4.136 3.181 1.00 0.00 H new ATOM 0 HA GLU A 17 3.742 6.804 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.730 4.862 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.755 6.529 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.147 6.457 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.555 7.220 2.856 1.00 0.00 H new ATOM 201 N CYS A 18 4.443 4.942 6.226 1.00 0.00 N ATOM 202 CA CYS A 18 5.133 4.933 7.511 1.00 0.00 C ATOM 203 C CYS A 18 6.158 3.804 7.570 1.00 0.00 C ATOM 204 O CYS A 18 7.296 4.006 7.991 1.00 0.00 O ATOM 205 CB CYS A 18 4.125 4.782 8.652 1.00 0.00 C ATOM 206 SG CYS A 18 3.254 3.182 8.669 1.00 0.00 S ATOM 0 H CYS A 18 4.131 4.024 5.909 1.00 0.00 H new ATOM 0 HA CYS A 18 5.658 5.882 7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.645 4.910 9.601 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.389 5.583 8.581 1.00 0.00 H new ATOM 211 N GLY A 19 5.745 2.614 7.144 1.00 0.00 N ATOM 212 CA GLY A 19 6.638 1.470 7.156 1.00 0.00 C ATOM 213 C GLY A 19 6.047 0.280 7.886 1.00 0.00 C ATOM 214 O GLY A 19 6.539 -0.118 8.942 1.00 0.00 O ATOM 0 H GLY A 19 4.808 2.422 6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.871 1.184 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.578 1.752 7.629 1.00 0.00 H new ATOM 218 N LYS A 20 4.987 -0.289 7.322 1.00 0.00 N ATOM 219 CA LYS A 20 4.326 -1.441 7.925 1.00 0.00 C ATOM 220 C LYS A 20 4.058 -2.522 6.882 1.00 0.00 C ATOM 221 O LYS A 20 3.268 -2.325 5.959 1.00 0.00 O ATOM 222 CB LYS A 20 3.012 -1.015 8.583 1.00 0.00 C ATOM 223 CG LYS A 20 3.199 -0.316 9.918 1.00 0.00 C ATOM 224 CD LYS A 20 3.195 -1.307 11.071 1.00 0.00 C ATOM 225 CE LYS A 20 4.486 -2.109 11.121 1.00 0.00 C ATOM 226 NZ LYS A 20 4.659 -2.801 12.428 1.00 0.00 N ATOM 0 H LYS A 20 4.567 0.029 6.448 1.00 0.00 H new ATOM 0 HA LYS A 20 4.989 -1.852 8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.475 -0.350 7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.386 -1.895 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.140 0.234 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.403 0.415 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.061 -0.772 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.348 -1.985 10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.487 -2.845 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.333 -1.445 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.550 -3.337 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.683 -2.097 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.864 -3.454 12.583 1.00 0.00 H new ATOM 240 N VAL A 21 4.719 -3.664 7.037 1.00 0.00 N ATOM 241 CA VAL A 21 4.550 -4.777 6.110 1.00 0.00 C ATOM 242 C VAL A 21 3.343 -5.629 6.488 1.00 0.00 C ATOM 243 O VAL A 21 2.929 -5.658 7.648 1.00 0.00 O ATOM 244 CB VAL A 21 5.803 -5.671 6.071 1.00 0.00 C ATOM 245 CG1 VAL A 21 5.668 -6.734 4.992 1.00 0.00 C ATOM 246 CG2 VAL A 21 7.051 -4.829 5.848 1.00 0.00 C ATOM 0 H VAL A 21 5.377 -3.843 7.796 1.00 0.00 H new ATOM 0 HA VAL A 21 4.391 -4.344 5.122 1.00 0.00 H new ATOM 0 HB VAL A 21 5.899 -6.175 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.563 -7.356 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.797 -7.356 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.547 -6.254 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.927 -5.477 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.966 -4.297 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.155 -4.110 6.660 1.00 0.00 H new ATOM 256 N PHE A 22 2.783 -6.322 5.503 1.00 0.00 N ATOM 257 CA PHE A 22 1.622 -7.175 5.732 1.00 0.00 C ATOM 258 C PHE A 22 1.692 -8.431 4.868 1.00 0.00 C ATOM 259 O PHE A 22 2.091 -8.376 3.705 1.00 0.00 O ATOM 260 CB PHE A 22 0.332 -6.408 5.434 1.00 0.00 C ATOM 261 CG PHE A 22 0.136 -5.202 6.308 1.00 0.00 C ATOM 262 CD1 PHE A 22 0.800 -4.017 6.036 1.00 0.00 C ATOM 263 CD2 PHE A 22 -0.714 -5.254 7.401 1.00 0.00 C ATOM 264 CE1 PHE A 22 0.622 -2.907 6.839 1.00 0.00 C ATOM 265 CE2 PHE A 22 -0.896 -4.146 8.208 1.00 0.00 C ATOM 266 CZ PHE A 22 -0.228 -2.971 7.926 1.00 0.00 C ATOM 0 H PHE A 22 3.114 -6.310 4.538 1.00 0.00 H new ATOM 0 HA PHE A 22 1.624 -7.475 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.339 -6.093 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.518 -7.079 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.464 -3.960 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.240 -6.170 7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.147 -1.990 6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.560 -4.200 9.058 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.370 -2.104 8.554 1.00 0.00 H new ATOM 276 N SER A 23 1.300 -9.562 5.447 1.00 0.00 N ATOM 277 CA SER A 23 1.322 -10.833 4.732 1.00 0.00 C ATOM 278 C SER A 23 0.289 -10.842 3.609 1.00 0.00 C ATOM 279 O SER A 23 0.569 -11.293 2.498 1.00 0.00 O ATOM 280 CB SER A 23 1.052 -11.989 5.698 1.00 0.00 C ATOM 281 OG SER A 23 1.425 -13.230 5.124 1.00 0.00 O ATOM 0 H SER A 23 0.964 -9.624 6.408 1.00 0.00 H new ATOM 0 HA SER A 23 2.312 -10.959 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.606 -11.831 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.006 -12.009 5.960 1.00 0.00 H new ATOM 0 HG SER A 23 1.244 -13.953 5.761 1.00 0.00 H new ATOM 287 N ARG A 24 -0.905 -10.342 3.908 1.00 0.00 N ATOM 288 CA ARG A 24 -1.981 -10.294 2.924 1.00 0.00 C ATOM 289 C ARG A 24 -2.484 -8.865 2.739 1.00 0.00 C ATOM 290 O ARG A 24 -2.750 -8.158 3.711 1.00 0.00 O ATOM 291 CB ARG A 24 -3.135 -11.201 3.355 1.00 0.00 C ATOM 292 CG ARG A 24 -2.730 -12.653 3.545 1.00 0.00 C ATOM 293 CD ARG A 24 -3.642 -13.361 4.535 1.00 0.00 C ATOM 294 NE ARG A 24 -3.524 -14.814 4.446 1.00 0.00 N ATOM 295 CZ ARG A 24 -4.096 -15.541 3.493 1.00 0.00 C ATOM 296 NH1 ARG A 24 -4.822 -14.954 2.552 1.00 0.00 N ATOM 297 NH2 ARG A 24 -3.941 -16.859 3.480 1.00 0.00 N ATOM 0 H ARG A 24 -1.152 -9.965 4.823 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.586 -10.648 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.553 -10.824 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.926 -11.148 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.762 -13.169 2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.700 -12.701 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.398 -13.039 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.676 -13.069 4.348 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.972 -15.297 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.943 -13.941 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.260 -15.515 1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.382 -17.314 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.380 -17.417 2.748 1.00 0.00 H new ATOM 311 N LYS A 25 -2.612 -8.446 1.485 1.00 0.00 N ATOM 312 CA LYS A 25 -3.083 -7.103 1.170 1.00 0.00 C ATOM 313 C LYS A 25 -4.214 -6.690 2.107 1.00 0.00 C ATOM 314 O LYS A 25 -4.210 -5.584 2.649 1.00 0.00 O ATOM 315 CB LYS A 25 -3.561 -7.035 -0.282 1.00 0.00 C ATOM 316 CG LYS A 25 -3.712 -5.617 -0.807 1.00 0.00 C ATOM 317 CD LYS A 25 -4.023 -5.604 -2.294 1.00 0.00 C ATOM 318 CE LYS A 25 -4.454 -4.222 -2.761 1.00 0.00 C ATOM 319 NZ LYS A 25 -5.244 -4.283 -4.021 1.00 0.00 N ATOM 0 H LYS A 25 -2.396 -9.018 0.669 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.251 -6.412 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.855 -7.574 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.519 -7.548 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.509 -5.109 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.794 -5.059 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.143 -5.920 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.813 -6.324 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.049 -3.745 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.573 -3.600 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.518 -3.321 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.668 -4.715 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.098 -4.856 -3.868 1.00 0.00 H new ATOM 333 N ASP A 26 -5.177 -7.585 2.295 1.00 0.00 N ATOM 334 CA ASP A 26 -6.313 -7.314 3.169 1.00 0.00 C ATOM 335 C ASP A 26 -5.861 -6.608 4.444 1.00 0.00 C ATOM 336 O ASP A 26 -6.394 -5.560 4.806 1.00 0.00 O ATOM 337 CB ASP A 26 -7.035 -8.616 3.521 1.00 0.00 C ATOM 338 CG ASP A 26 -8.048 -9.019 2.468 1.00 0.00 C ATOM 339 OD1 ASP A 26 -7.808 -8.735 1.276 1.00 0.00 O ATOM 340 OD2 ASP A 26 -9.080 -9.617 2.835 1.00 0.00 O ATOM 0 H ASP A 26 -5.194 -8.505 1.854 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.002 -6.658 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.302 -9.414 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.539 -8.501 4.481 1.00 0.00 H new ATOM 345 N GLN A 27 -4.875 -7.190 5.119 1.00 0.00 N ATOM 346 CA GLN A 27 -4.353 -6.617 6.354 1.00 0.00 C ATOM 347 C GLN A 27 -3.797 -5.218 6.113 1.00 0.00 C ATOM 348 O GLN A 27 -3.849 -4.357 6.993 1.00 0.00 O ATOM 349 CB GLN A 27 -3.264 -7.518 6.939 1.00 0.00 C ATOM 350 CG GLN A 27 -3.699 -8.964 7.115 1.00 0.00 C ATOM 351 CD GLN A 27 -2.839 -9.715 8.112 1.00 0.00 C ATOM 352 OE1 GLN A 27 -3.321 -10.159 9.154 1.00 0.00 O ATOM 353 NE2 GLN A 27 -1.557 -9.861 7.797 1.00 0.00 N ATOM 0 H GLN A 27 -4.422 -8.057 4.832 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.175 -6.543 7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.390 -7.487 6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.956 -7.120 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.737 -8.989 7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.658 -9.471 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.200 -9.477 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.930 -10.358 8.430 1.00 0.00 H new ATOM 362 N LEU A 28 -3.266 -4.997 4.916 1.00 0.00 N ATOM 363 CA LEU A 28 -2.699 -3.701 4.558 1.00 0.00 C ATOM 364 C LEU A 28 -3.798 -2.661 4.363 1.00 0.00 C ATOM 365 O LEU A 28 -3.705 -1.541 4.866 1.00 0.00 O ATOM 366 CB LEU A 28 -1.863 -3.822 3.283 1.00 0.00 C ATOM 367 CG LEU A 28 -1.143 -2.552 2.829 1.00 0.00 C ATOM 368 CD1 LEU A 28 0.244 -2.474 3.449 1.00 0.00 C ATOM 369 CD2 LEU A 28 -1.053 -2.503 1.311 1.00 0.00 C ATOM 0 H LEU A 28 -3.216 -5.698 4.177 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.057 -3.375 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.118 -4.604 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.515 -4.154 2.475 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.719 -1.691 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.741 -1.564 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.157 -2.462 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.829 -3.341 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.538 -1.592 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.500 -3.371 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.057 -2.511 0.887 1.00 0.00 H new ATOM 381 N VAL A 29 -4.841 -3.040 3.630 1.00 0.00 N ATOM 382 CA VAL A 29 -5.960 -2.143 3.371 1.00 0.00 C ATOM 383 C VAL A 29 -6.486 -1.533 4.665 1.00 0.00 C ATOM 384 O VAL A 29 -6.585 -0.312 4.793 1.00 0.00 O ATOM 385 CB VAL A 29 -7.111 -2.873 2.654 1.00 0.00 C ATOM 386 CG1 VAL A 29 -8.289 -1.935 2.443 1.00 0.00 C ATOM 387 CG2 VAL A 29 -6.634 -3.450 1.330 1.00 0.00 C ATOM 0 H VAL A 29 -4.933 -3.963 3.205 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.586 -1.349 2.725 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.443 -3.698 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.092 -2.468 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.646 -1.576 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.975 -1.087 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.461 -3.962 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.274 -2.644 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.825 -4.158 1.512 1.00 0.00 H new ATOM 397 N SER A 30 -6.823 -2.390 5.623 1.00 0.00 N ATOM 398 CA SER A 30 -7.343 -1.937 6.907 1.00 0.00 C ATOM 399 C SER A 30 -6.367 -0.977 7.580 1.00 0.00 C ATOM 400 O SER A 30 -6.770 -0.087 8.329 1.00 0.00 O ATOM 401 CB SER A 30 -7.614 -3.132 7.823 1.00 0.00 C ATOM 402 OG SER A 30 -7.998 -2.705 9.118 1.00 0.00 O ATOM 0 H SER A 30 -6.745 -3.403 5.534 1.00 0.00 H new ATOM 0 HA SER A 30 -8.279 -1.409 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.400 -3.753 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.720 -3.752 7.891 1.00 0.00 H new ATOM 0 HG SER A 30 -8.167 -3.487 9.684 1.00 0.00 H new ATOM 408 N HIS A 31 -5.079 -1.165 7.307 1.00 0.00 N ATOM 409 CA HIS A 31 -4.043 -0.316 7.885 1.00 0.00 C ATOM 410 C HIS A 31 -4.027 1.054 7.215 1.00 0.00 C ATOM 411 O HIS A 31 -4.094 2.084 7.886 1.00 0.00 O ATOM 412 CB HIS A 31 -2.674 -0.981 7.747 1.00 0.00 C ATOM 413 CG HIS A 31 -1.527 -0.040 7.957 1.00 0.00 C ATOM 414 ND1 HIS A 31 -1.015 0.256 9.202 1.00 0.00 N ATOM 415 CD2 HIS A 31 -0.792 0.671 7.070 1.00 0.00 C ATOM 416 CE1 HIS A 31 -0.016 1.110 9.073 1.00 0.00 C ATOM 417 NE2 HIS A 31 0.141 1.377 7.789 1.00 0.00 N ATOM 0 H HIS A 31 -4.728 -1.897 6.690 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.267 -0.180 8.943 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.601 -1.796 8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.593 -1.424 6.754 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -1.355 -0.125 10.085 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.916 0.681 5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.573 1.520 9.880 1.00 0.00 H new ATOM 425 N GLN A 32 -3.937 1.058 5.889 1.00 0.00 N ATOM 426 CA GLN A 32 -3.910 2.302 5.129 1.00 0.00 C ATOM 427 C GLN A 32 -5.084 3.198 5.511 1.00 0.00 C ATOM 428 O GLN A 32 -5.084 4.395 5.224 1.00 0.00 O ATOM 429 CB GLN A 32 -3.944 2.009 3.628 1.00 0.00 C ATOM 430 CG GLN A 32 -2.694 1.311 3.117 1.00 0.00 C ATOM 431 CD GLN A 32 -2.823 0.867 1.673 1.00 0.00 C ATOM 432 OE1 GLN A 32 -3.916 0.545 1.206 1.00 0.00 O ATOM 433 NE2 GLN A 32 -1.705 0.848 0.957 1.00 0.00 N ATOM 0 H GLN A 32 -3.882 0.214 5.319 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.984 2.825 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.813 1.389 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.075 2.946 3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.842 1.984 3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.485 0.443 3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.821 1.123 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.730 0.558 -0.021 1.00 0.00 H new ATOM 442 N LYS A 33 -6.084 2.611 6.159 1.00 0.00 N ATOM 443 CA LYS A 33 -7.265 3.355 6.581 1.00 0.00 C ATOM 444 C LYS A 33 -6.870 4.595 7.377 1.00 0.00 C ATOM 445 O LYS A 33 -7.453 5.667 7.206 1.00 0.00 O ATOM 446 CB LYS A 33 -8.180 2.464 7.425 1.00 0.00 C ATOM 447 CG LYS A 33 -8.721 1.262 6.672 1.00 0.00 C ATOM 448 CD LYS A 33 -10.039 1.580 5.987 1.00 0.00 C ATOM 449 CE LYS A 33 -9.822 2.106 4.576 1.00 0.00 C ATOM 450 NZ LYS A 33 -11.095 2.174 3.807 1.00 0.00 N ATOM 0 H LYS A 33 -6.100 1.621 6.404 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.802 3.674 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.629 2.117 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.016 3.060 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.992 0.939 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.861 0.431 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.657 0.683 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.585 2.320 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.373 3.098 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.116 1.461 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.904 2.537 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.511 1.223 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.760 2.809 4.292 1.00 0.00 H new ATOM 464 N THR A 34 -5.876 4.444 8.246 1.00 0.00 N ATOM 465 CA THR A 34 -5.404 5.551 9.067 1.00 0.00 C ATOM 466 C THR A 34 -4.276 6.308 8.374 1.00 0.00 C ATOM 467 O THR A 34 -3.376 6.837 9.027 1.00 0.00 O ATOM 468 CB THR A 34 -4.908 5.061 10.441 1.00 0.00 C ATOM 469 OG1 THR A 34 -4.664 6.179 11.301 1.00 0.00 O ATOM 470 CG2 THR A 34 -3.636 4.239 10.295 1.00 0.00 C ATOM 0 H THR A 34 -5.382 3.565 8.399 1.00 0.00 H new ATOM 0 HA THR A 34 -6.252 6.220 9.212 1.00 0.00 H new ATOM 0 HB THR A 34 -5.681 4.430 10.878 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.102 6.833 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.305 3.904 11.278 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.833 3.373 9.664 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.858 4.851 9.839 1.00 0.00 H new ATOM 478 N HIS A 35 -4.332 6.358 7.047 1.00 0.00 N ATOM 479 CA HIS A 35 -3.315 7.052 6.264 1.00 0.00 C ATOM 480 C HIS A 35 -3.958 8.008 5.264 1.00 0.00 C ATOM 481 O HIS A 35 -4.113 7.679 4.088 1.00 0.00 O ATOM 482 CB HIS A 35 -2.431 6.045 5.529 1.00 0.00 C ATOM 483 CG HIS A 35 -1.233 5.613 6.318 1.00 0.00 C ATOM 484 ND1 HIS A 35 -0.174 6.451 6.598 1.00 0.00 N ATOM 485 CD2 HIS A 35 -0.930 4.423 6.887 1.00 0.00 C ATOM 486 CE1 HIS A 35 0.729 5.795 7.305 1.00 0.00 C ATOM 487 NE2 HIS A 35 0.294 4.562 7.494 1.00 0.00 N ATOM 0 H HIS A 35 -5.070 5.926 6.491 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.698 7.633 6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.026 5.167 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.098 6.485 4.589 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.100 7.425 6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.538 3.530 6.867 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.663 6.198 7.667 1.00 0.00 H new ATOM 495 N SER A 36 -4.332 9.191 5.739 1.00 0.00 N ATOM 496 CA SER A 36 -4.963 10.193 4.887 1.00 0.00 C ATOM 497 C SER A 36 -4.063 11.415 4.728 1.00 0.00 C ATOM 498 O SER A 36 -4.173 12.382 5.480 1.00 0.00 O ATOM 499 CB SER A 36 -6.314 10.612 5.470 1.00 0.00 C ATOM 500 OG SER A 36 -7.133 9.483 5.721 1.00 0.00 O ATOM 0 H SER A 36 -4.209 9.480 6.710 1.00 0.00 H new ATOM 0 HA SER A 36 -5.122 9.750 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.158 11.165 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.819 11.285 4.778 1.00 0.00 H new ATOM 0 HG SER A 36 -7.990 9.777 6.095 1.00 0.00 H new ATOM 506 N GLY A 37 -3.173 11.363 3.742 1.00 0.00 N ATOM 507 CA GLY A 37 -2.267 12.470 3.501 1.00 0.00 C ATOM 508 C GLY A 37 -2.786 13.424 2.443 1.00 0.00 C ATOM 509 O GLY A 37 -3.974 13.417 2.122 1.00 0.00 O ATOM 0 H GLY A 37 -3.063 10.573 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.109 13.015 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.297 12.081 3.191 1.00 0.00 H new ATOM 513 N GLN A 38 -1.894 14.248 1.902 1.00 0.00 N ATOM 514 CA GLN A 38 -2.270 15.213 0.876 1.00 0.00 C ATOM 515 C GLN A 38 -1.314 15.147 -0.311 1.00 0.00 C ATOM 516 O GLN A 38 -0.171 14.710 -0.176 1.00 0.00 O ATOM 517 CB GLN A 38 -2.282 16.628 1.457 1.00 0.00 C ATOM 518 CG GLN A 38 -3.307 16.822 2.563 1.00 0.00 C ATOM 519 CD GLN A 38 -3.427 18.269 3.000 1.00 0.00 C ATOM 520 OE1 GLN A 38 -2.753 18.706 3.933 1.00 0.00 O ATOM 521 NE2 GLN A 38 -4.289 19.022 2.326 1.00 0.00 N ATOM 0 H GLN A 38 -0.907 14.266 2.157 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.272 14.962 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.291 16.860 1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.485 17.339 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.279 16.469 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.031 16.209 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.827 18.619 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.412 20.003 2.575 1.00 0.00 H new ATOM 530 N SER A 39 -1.790 15.583 -1.473 1.00 0.00 N ATOM 531 CA SER A 39 -0.979 15.569 -2.684 1.00 0.00 C ATOM 532 C SER A 39 -0.091 16.808 -2.758 1.00 0.00 C ATOM 533 O SER A 39 -0.457 17.877 -2.271 1.00 0.00 O ATOM 534 CB SER A 39 -1.874 15.495 -3.922 1.00 0.00 C ATOM 535 OG SER A 39 -1.105 15.313 -5.098 1.00 0.00 O ATOM 0 H SER A 39 -2.733 15.950 -1.601 1.00 0.00 H new ATOM 0 HA SER A 39 -0.340 14.686 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.581 14.672 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.461 16.410 -4.005 1.00 0.00 H new ATOM 0 HG SER A 39 -1.701 15.267 -5.875 1.00 0.00 H new ATOM 541 N GLY A 40 1.078 16.655 -3.372 1.00 0.00 N ATOM 542 CA GLY A 40 2.001 17.768 -3.499 1.00 0.00 C ATOM 543 C GLY A 40 1.670 18.664 -4.677 1.00 0.00 C ATOM 544 O GLY A 40 0.541 18.688 -5.167 1.00 0.00 O ATOM 0 H GLY A 40 1.403 15.780 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.983 18.357 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.015 17.384 -3.612 1.00 0.00 H new ATOM 548 N PRO A 41 2.670 19.422 -5.148 1.00 0.00 N ATOM 549 CA PRO A 41 2.504 20.339 -6.280 1.00 0.00 C ATOM 550 C PRO A 41 2.312 19.600 -7.600 1.00 0.00 C ATOM 551 O PRO A 41 3.278 19.304 -8.303 1.00 0.00 O ATOM 552 CB PRO A 41 3.816 21.127 -6.294 1.00 0.00 C ATOM 553 CG PRO A 41 4.807 20.225 -5.644 1.00 0.00 C ATOM 554 CD PRO A 41 4.042 19.444 -4.611 1.00 0.00 C ATOM 0 HA PRO A 41 1.617 20.964 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.116 21.377 -7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.719 22.066 -5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.267 19.560 -6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.612 20.797 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.443 18.437 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.083 19.923 -3.633 1.00 0.00 H new ATOM 562 N SER A 42 1.059 19.305 -7.931 1.00 0.00 N ATOM 563 CA SER A 42 0.741 18.598 -9.166 1.00 0.00 C ATOM 564 C SER A 42 0.842 19.531 -10.368 1.00 0.00 C ATOM 565 O SER A 42 -0.048 20.347 -10.611 1.00 0.00 O ATOM 566 CB SER A 42 -0.664 17.998 -9.088 1.00 0.00 C ATOM 567 OG SER A 42 -1.617 18.979 -8.716 1.00 0.00 O ATOM 0 H SER A 42 0.248 19.545 -7.361 1.00 0.00 H new ATOM 0 HA SER A 42 1.465 17.793 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.935 17.571 -10.054 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.675 17.183 -8.365 1.00 0.00 H new ATOM 0 HG SER A 42 -1.465 19.796 -9.235 1.00 0.00 H new ATOM 573 N SER A 43 1.932 19.405 -11.118 1.00 0.00 N ATOM 574 CA SER A 43 2.153 20.240 -12.293 1.00 0.00 C ATOM 575 C SER A 43 3.328 19.720 -13.116 1.00 0.00 C ATOM 576 O SER A 43 4.344 19.294 -12.568 1.00 0.00 O ATOM 577 CB SER A 43 2.410 21.689 -11.875 1.00 0.00 C ATOM 578 OG SER A 43 2.286 22.568 -12.979 1.00 0.00 O ATOM 0 H SER A 43 2.676 18.732 -10.933 1.00 0.00 H new ATOM 0 HA SER A 43 1.255 20.201 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.704 21.977 -11.096 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.409 21.776 -11.448 1.00 0.00 H new ATOM 0 HG SER A 43 2.453 23.488 -12.685 1.00 0.00 H new ATOM 584 N GLY A 44 3.180 19.759 -14.437 1.00 0.00 N ATOM 585 CA GLY A 44 4.236 19.289 -15.315 1.00 0.00 C ATOM 586 C GLY A 44 4.005 19.683 -16.760 1.00 0.00 C ATOM 587 O GLY A 44 3.372 20.707 -17.008 1.00 0.00 O ATOM 0 H GLY A 44 2.349 20.107 -14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.191 19.694 -14.979 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.307 18.204 -15.244 1.00 0.00 H new TER 591 GLY A 44 HETATM 592 ZN ZN A 201 1.479 2.844 7.425 1.00 0.00 ZN