USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 528 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 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 68 HIS : no HD1:sc= -0.629 X(o=-0.84,f=-0.53) USER MOD Set 1.2: A 71 SER OG : rot -134:sc= -0.208 USER MOD Set 2.1: A 15 HIS : no HE2:sc= -5.7! C(o=-5.7!,f=-9.3!) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 29:sc= 0.145 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=0.000892 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -2.3 F(o=-4.2!,f=-2.3) USER MOD Single : A 26 ASN : amide:sc= -7.33! C(o=-7.3!,f=-10!) USER MOD Single : A 27 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.83! C(o=-2.8!,f=-2.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0945 X(o=-0.095,f=-0.0011) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.117) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 162:sc= -0.0273 (180deg=-0.47) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc=-0.00932 (180deg=-0.205) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.235 K(o=-0.23,f=-2.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 34:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.540 -18.403 14.513 1.00 0.00 N ATOM 2 CA GLY A 1 2.487 -18.086 13.460 1.00 0.00 C ATOM 3 C GLY A 1 3.662 -17.271 13.964 1.00 0.00 C ATOM 4 O GLY A 1 3.481 -16.195 14.533 1.00 0.00 O ATOM 0 H1 GLY A 1 0.756 -18.961 14.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.017 -18.954 15.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.167 -17.522 14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.854 -19.011 13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.977 -17.533 12.671 1.00 0.00 H new ATOM 8 N SER A 2 4.870 -17.786 13.755 1.00 0.00 N ATOM 9 CA SER A 2 6.079 -17.101 14.197 1.00 0.00 C ATOM 10 C SER A 2 6.266 -15.788 13.444 1.00 0.00 C ATOM 11 O SER A 2 5.493 -15.461 12.543 1.00 0.00 O ATOM 12 CB SER A 2 7.302 -17.998 13.993 1.00 0.00 C ATOM 13 OG SER A 2 7.124 -19.254 14.623 1.00 0.00 O ATOM 0 H SER A 2 5.037 -18.675 13.283 1.00 0.00 H new ATOM 0 HA SER A 2 5.973 -16.878 15.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.476 -18.144 12.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.188 -17.508 14.396 1.00 0.00 H new ATOM 0 HG SER A 2 7.918 -19.809 14.476 1.00 0.00 H new ATOM 19 N SER A 3 7.297 -15.039 13.819 1.00 0.00 N ATOM 20 CA SER A 3 7.585 -13.759 13.182 1.00 0.00 C ATOM 21 C SER A 3 8.668 -13.912 12.119 1.00 0.00 C ATOM 22 O SER A 3 9.633 -14.652 12.302 1.00 0.00 O ATOM 23 CB SER A 3 8.023 -12.732 14.228 1.00 0.00 C ATOM 24 OG SER A 3 6.915 -12.256 14.972 1.00 0.00 O ATOM 0 H SER A 3 7.948 -15.296 14.561 1.00 0.00 H new ATOM 0 HA SER A 3 6.673 -13.409 12.699 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.751 -13.183 14.902 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.520 -11.896 13.735 1.00 0.00 H new ATOM 0 HG SER A 3 7.222 -11.603 15.635 1.00 0.00 H new ATOM 30 N GLY A 4 8.498 -13.206 11.004 1.00 0.00 N ATOM 31 CA GLY A 4 9.468 -13.277 9.927 1.00 0.00 C ATOM 32 C GLY A 4 9.851 -11.908 9.401 1.00 0.00 C ATOM 33 O GLY A 4 10.965 -11.438 9.630 1.00 0.00 O ATOM 0 H GLY A 4 7.707 -12.587 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.362 -13.790 10.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.059 -13.874 9.112 1.00 0.00 H new ATOM 37 N SER A 5 8.927 -11.268 8.692 1.00 0.00 N ATOM 38 CA SER A 5 9.175 -9.947 8.127 1.00 0.00 C ATOM 39 C SER A 5 9.938 -9.069 9.115 1.00 0.00 C ATOM 40 O SER A 5 9.554 -8.945 10.277 1.00 0.00 O ATOM 41 CB SER A 5 7.855 -9.276 7.744 1.00 0.00 C ATOM 42 OG SER A 5 6.994 -9.169 8.864 1.00 0.00 O ATOM 0 H SER A 5 7.999 -11.643 8.495 1.00 0.00 H new ATOM 0 HA SER A 5 9.784 -10.070 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.052 -8.284 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.365 -9.852 6.958 1.00 0.00 H new ATOM 0 HG SER A 5 7.529 -9.097 9.682 1.00 0.00 H new ATOM 48 N SER A 6 11.021 -8.461 8.642 1.00 0.00 N ATOM 49 CA SER A 6 11.841 -7.597 9.483 1.00 0.00 C ATOM 50 C SER A 6 11.645 -6.131 9.109 1.00 0.00 C ATOM 51 O SER A 6 12.602 -5.359 9.055 1.00 0.00 O ATOM 52 CB SER A 6 13.318 -7.975 9.352 1.00 0.00 C ATOM 53 OG SER A 6 13.676 -8.966 10.300 1.00 0.00 O ATOM 0 H SER A 6 11.351 -8.551 7.681 1.00 0.00 H new ATOM 0 HA SER A 6 11.528 -7.735 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.515 -8.343 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.937 -7.090 9.495 1.00 0.00 H new ATOM 0 HG SER A 6 14.624 -9.192 10.195 1.00 0.00 H new ATOM 59 N GLY A 7 10.397 -5.754 8.851 1.00 0.00 N ATOM 60 CA GLY A 7 10.096 -4.382 8.485 1.00 0.00 C ATOM 61 C GLY A 7 8.608 -4.095 8.483 1.00 0.00 C ATOM 62 O GLY A 7 8.060 -3.629 7.484 1.00 0.00 O ATOM 0 H GLY A 7 9.588 -6.374 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.592 -3.706 9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.504 -4.175 7.496 1.00 0.00 H new ATOM 66 N SER A 8 7.951 -4.376 9.604 1.00 0.00 N ATOM 67 CA SER A 8 6.515 -4.151 9.725 1.00 0.00 C ATOM 68 C SER A 8 6.230 -2.786 10.346 1.00 0.00 C ATOM 69 O SER A 8 5.322 -2.642 11.163 1.00 0.00 O ATOM 70 CB SER A 8 5.874 -5.252 10.571 1.00 0.00 C ATOM 71 OG SER A 8 6.542 -5.396 11.813 1.00 0.00 O ATOM 0 H SER A 8 8.390 -4.760 10.441 1.00 0.00 H new ATOM 0 HA SER A 8 6.083 -4.174 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.824 -5.017 10.745 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.903 -6.196 10.027 1.00 0.00 H new ATOM 0 HG SER A 8 6.112 -6.105 12.336 1.00 0.00 H new ATOM 77 N GLU A 9 7.014 -1.788 9.951 1.00 0.00 N ATOM 78 CA GLU A 9 6.847 -0.435 10.469 1.00 0.00 C ATOM 79 C GLU A 9 5.873 0.361 9.605 1.00 0.00 C ATOM 80 O GLU A 9 5.029 1.096 10.119 1.00 0.00 O ATOM 81 CB GLU A 9 8.197 0.283 10.528 1.00 0.00 C ATOM 82 CG GLU A 9 8.285 1.321 11.634 1.00 0.00 C ATOM 83 CD GLU A 9 9.716 1.630 12.031 1.00 0.00 C ATOM 84 OE1 GLU A 9 10.581 1.693 11.132 1.00 0.00 O ATOM 85 OE2 GLU A 9 9.970 1.810 13.240 1.00 0.00 O ATOM 0 H GLU A 9 7.770 -1.891 9.275 1.00 0.00 H new ATOM 0 HA GLU A 9 6.438 -0.507 11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.986 -0.455 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.383 0.768 9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.797 2.239 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.739 0.964 12.507 1.00 0.00 H new ATOM 92 N ALA A 10 5.997 0.210 8.290 1.00 0.00 N ATOM 93 CA ALA A 10 5.127 0.914 7.355 1.00 0.00 C ATOM 94 C ALA A 10 3.664 0.785 7.764 1.00 0.00 C ATOM 95 O ALA A 10 2.841 1.640 7.436 1.00 0.00 O ATOM 96 CB ALA A 10 5.332 0.384 5.944 1.00 0.00 C ATOM 0 H ALA A 10 6.691 -0.393 7.848 1.00 0.00 H new ATOM 0 HA ALA A 10 5.391 1.971 7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.677 0.918 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.370 0.534 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.097 -0.680 5.917 1.00 0.00 H new ATOM 102 N TRP A 11 3.346 -0.288 8.479 1.00 0.00 N ATOM 103 CA TRP A 11 1.980 -0.528 8.931 1.00 0.00 C ATOM 104 C TRP A 11 1.429 0.688 9.666 1.00 0.00 C ATOM 105 O TRP A 11 0.232 0.970 9.606 1.00 0.00 O ATOM 106 CB TRP A 11 1.931 -1.756 9.842 1.00 0.00 C ATOM 107 CG TRP A 11 1.688 -3.036 9.101 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.510 -4.125 9.053 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.545 -3.358 8.301 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.948 -5.105 8.271 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.742 -4.660 7.799 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.626 -2.676 7.961 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.188 -5.288 6.975 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.548 -3.301 7.143 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.325 -4.597 6.659 1.00 0.00 C ATOM 0 H TRP A 11 4.015 -1.006 8.758 1.00 0.00 H new ATOM 0 HA TRP A 11 1.360 -0.711 8.053 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.872 -1.833 10.387 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.144 -1.618 10.583 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.462 -4.204 9.556 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.362 -6.016 8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.808 -1.678 8.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.017 -6.286 6.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.456 -2.782 6.872 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.066 -5.059 6.024 1.00 0.00 H new ATOM 126 N GLU A 12 2.308 1.405 10.359 1.00 0.00 N ATOM 127 CA GLU A 12 1.906 2.591 11.107 1.00 0.00 C ATOM 128 C GLU A 12 1.215 3.600 10.195 1.00 0.00 C ATOM 129 O GLU A 12 0.488 4.478 10.660 1.00 0.00 O ATOM 130 CB GLU A 12 3.123 3.238 11.772 1.00 0.00 C ATOM 131 CG GLU A 12 3.839 2.323 12.751 1.00 0.00 C ATOM 132 CD GLU A 12 4.867 3.057 13.590 1.00 0.00 C ATOM 133 OE1 GLU A 12 5.433 4.055 13.095 1.00 0.00 O ATOM 134 OE2 GLU A 12 5.106 2.635 14.740 1.00 0.00 O ATOM 0 H GLU A 12 3.302 1.186 10.418 1.00 0.00 H new ATOM 0 HA GLU A 12 1.201 2.282 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.825 3.551 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.804 4.139 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.106 1.855 13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.331 1.521 12.200 1.00 0.00 H new ATOM 141 N TYR A 13 1.447 3.469 8.893 1.00 0.00 N ATOM 142 CA TYR A 13 0.850 4.371 7.915 1.00 0.00 C ATOM 143 C TYR A 13 -0.296 3.688 7.174 1.00 0.00 C ATOM 144 O TYR A 13 -0.707 4.131 6.101 1.00 0.00 O ATOM 145 CB TYR A 13 1.907 4.846 6.917 1.00 0.00 C ATOM 146 CG TYR A 13 3.170 5.359 7.571 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.197 4.491 7.921 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.337 6.712 7.838 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.352 4.955 8.519 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.490 7.186 8.435 1.00 0.00 C ATOM 151 CZ TYR A 13 5.494 6.303 8.774 1.00 0.00 C ATOM 152 OH TYR A 13 6.644 6.769 9.368 1.00 0.00 O ATOM 0 H TYR A 13 2.044 2.747 8.491 1.00 0.00 H new ATOM 0 HA TYR A 13 0.451 5.234 8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.162 4.022 6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.481 5.636 6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.090 3.435 7.722 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.552 7.406 7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.140 4.266 8.786 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.604 8.241 8.635 1.00 0.00 H new ATOM 0 HH TYR A 13 6.585 7.741 9.477 1.00 0.00 H new ATOM 162 N PHE A 14 -0.807 2.608 7.754 1.00 0.00 N ATOM 163 CA PHE A 14 -1.905 1.862 7.150 1.00 0.00 C ATOM 164 C PHE A 14 -2.757 1.187 8.220 1.00 0.00 C ATOM 165 O PHE A 14 -2.250 0.768 9.261 1.00 0.00 O ATOM 166 CB PHE A 14 -1.363 0.814 6.176 1.00 0.00 C ATOM 167 CG PHE A 14 -0.665 1.406 4.985 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.660 1.802 5.068 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.335 1.567 3.783 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.305 2.347 3.973 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.695 2.111 2.685 1.00 0.00 C ATOM 172 CZ PHE A 14 0.627 2.502 2.781 1.00 0.00 C ATOM 0 H PHE A 14 -0.478 2.229 8.642 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.532 2.566 6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.669 0.161 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.187 0.190 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.195 1.684 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.369 1.264 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.338 2.651 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.228 2.230 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.129 2.928 1.925 1.00 0.00 H new ATOM 182 N HIS A 15 -4.056 1.084 7.955 1.00 0.00 N ATOM 183 CA HIS A 15 -4.980 0.459 8.895 1.00 0.00 C ATOM 184 C HIS A 15 -5.905 -0.520 8.178 1.00 0.00 C ATOM 185 O HIS A 15 -6.620 -0.147 7.247 1.00 0.00 O ATOM 186 CB HIS A 15 -5.807 1.525 9.615 1.00 0.00 C ATOM 187 CG HIS A 15 -7.135 1.788 8.973 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.147 0.852 8.929 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.614 2.889 8.349 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.191 1.367 8.304 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.894 2.602 7.942 1.00 0.00 N ATOM 0 H HIS A 15 -4.492 1.425 7.098 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.394 -0.093 9.629 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.967 1.213 10.647 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.238 2.454 9.647 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.097 -0.090 9.318 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.088 3.820 8.199 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.129 0.863 8.120 1.00 0.00 H new ATOM 199 N LEU A 16 -5.884 -1.774 8.616 1.00 0.00 N ATOM 200 CA LEU A 16 -6.720 -2.808 8.016 1.00 0.00 C ATOM 201 C LEU A 16 -8.197 -2.539 8.286 1.00 0.00 C ATOM 202 O LEU A 16 -8.567 -2.073 9.363 1.00 0.00 O ATOM 203 CB LEU A 16 -6.333 -4.184 8.560 1.00 0.00 C ATOM 204 CG LEU A 16 -4.981 -4.732 8.101 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.451 -5.750 9.098 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.099 -5.350 6.715 1.00 0.00 C ATOM 0 H LEU A 16 -5.297 -2.099 9.384 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.558 -2.791 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.332 -4.135 9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.107 -4.896 8.274 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.274 -3.904 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.488 -6.129 8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.328 -5.276 10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.156 -6.577 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.128 -5.735 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.821 -6.166 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.433 -4.592 6.006 1.00 0.00 H new ATOM 218 N ALA A 17 -9.037 -2.838 7.300 1.00 0.00 N ATOM 219 CA ALA A 17 -10.474 -2.633 7.433 1.00 0.00 C ATOM 220 C ALA A 17 -11.188 -3.941 7.756 1.00 0.00 C ATOM 221 O ALA A 17 -10.704 -5.032 7.454 1.00 0.00 O ATOM 222 CB ALA A 17 -11.040 -2.021 6.160 1.00 0.00 C ATOM 0 H ALA A 17 -8.747 -3.223 6.401 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.642 -1.944 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.114 -1.873 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.560 -1.061 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.852 -2.690 5.320 1.00 0.00 H new ATOM 228 N PRO A 18 -12.368 -3.833 8.385 1.00 0.00 N ATOM 229 CA PRO A 18 -13.174 -4.998 8.763 1.00 0.00 C ATOM 230 C PRO A 18 -13.773 -5.705 7.552 1.00 0.00 C ATOM 231 O PRO A 18 -14.290 -5.062 6.639 1.00 0.00 O ATOM 232 CB PRO A 18 -14.280 -4.396 9.633 1.00 0.00 C ATOM 233 CG PRO A 18 -14.393 -2.982 9.179 1.00 0.00 C ATOM 234 CD PRO A 18 -13.006 -2.564 8.776 1.00 0.00 C ATOM 0 HA PRO A 18 -12.580 -5.758 9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.221 -4.930 9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.026 -4.453 10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.085 -2.895 8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.776 -2.346 9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.025 -1.852 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.476 -2.084 9.599 1.00 0.00 H new ATOM 242 N ALA A 19 -13.701 -7.032 7.552 1.00 0.00 N ATOM 243 CA ALA A 19 -14.240 -7.826 6.455 1.00 0.00 C ATOM 244 C ALA A 19 -15.652 -8.308 6.768 1.00 0.00 C ATOM 245 O ALA A 19 -15.874 -9.011 7.754 1.00 0.00 O ATOM 246 CB ALA A 19 -13.328 -9.009 6.163 1.00 0.00 C ATOM 0 H ALA A 19 -13.275 -7.580 8.299 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.289 -7.192 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.742 -9.594 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.338 -8.646 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.250 -9.636 7.051 1.00 0.00 H new ATOM 252 N ARG A 20 -16.604 -7.927 5.922 1.00 0.00 N ATOM 253 CA ARG A 20 -17.995 -8.319 6.110 1.00 0.00 C ATOM 254 C ARG A 20 -18.552 -8.970 4.847 1.00 0.00 C ATOM 255 O ARG A 20 -19.399 -9.859 4.917 1.00 0.00 O ATOM 256 CB ARG A 20 -18.844 -7.103 6.486 1.00 0.00 C ATOM 257 CG ARG A 20 -18.718 -5.946 5.508 1.00 0.00 C ATOM 258 CD ARG A 20 -17.543 -5.046 5.858 1.00 0.00 C ATOM 259 NE ARG A 20 -17.808 -4.237 7.045 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.419 -3.058 7.008 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.826 -2.553 5.852 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.623 -2.381 8.131 1.00 0.00 N ATOM 0 H ARG A 20 -16.437 -7.347 5.100 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.034 -9.046 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.890 -7.405 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.554 -6.761 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.592 -6.335 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.639 -5.362 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.656 -5.657 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.324 -4.391 5.015 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.508 -4.597 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.670 -3.070 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.295 -1.647 5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.311 -2.766 9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.092 -1.476 8.103 1.00 0.00 H new ATOM 276 N ALA A 21 -18.069 -8.519 3.693 1.00 0.00 N ATOM 277 CA ALA A 21 -18.517 -9.058 2.415 1.00 0.00 C ATOM 278 C ALA A 21 -18.546 -10.583 2.443 1.00 0.00 C ATOM 279 O ALA A 21 -19.514 -11.202 2.002 1.00 0.00 O ATOM 280 CB ALA A 21 -17.618 -8.566 1.291 1.00 0.00 C ATOM 0 H ALA A 21 -17.368 -7.782 3.618 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.532 -8.704 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.964 -8.976 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.651 -7.477 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -16.594 -8.891 1.475 1.00 0.00 H new ATOM 286 N GLY A 22 -17.479 -11.182 2.962 1.00 0.00 N ATOM 287 CA GLY A 22 -17.403 -12.629 3.036 1.00 0.00 C ATOM 288 C GLY A 22 -16.068 -13.165 2.558 1.00 0.00 C ATOM 289 O GLY A 22 -15.957 -14.334 2.187 1.00 0.00 O ATOM 0 H GLY A 22 -16.666 -10.691 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.571 -12.946 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.202 -13.063 2.434 1.00 0.00 H new ATOM 293 N HIS A 23 -15.052 -12.308 2.564 1.00 0.00 N ATOM 294 CA HIS A 23 -13.717 -12.702 2.126 1.00 0.00 C ATOM 295 C HIS A 23 -12.729 -12.654 3.287 1.00 0.00 C ATOM 296 O HIS A 23 -13.026 -12.103 4.348 1.00 0.00 O ATOM 297 CB HIS A 23 -13.239 -11.790 0.996 1.00 0.00 C ATOM 298 CG HIS A 23 -13.831 -12.128 -0.338 1.00 0.00 C ATOM 299 ND1 HIS A 23 -13.101 -12.123 -1.508 1.00 0.00 N ATOM 300 CD2 HIS A 23 -15.090 -12.485 -0.682 1.00 0.00 C ATOM 301 CE1 HIS A 23 -13.887 -12.460 -2.515 1.00 0.00 C ATOM 302 NE2 HIS A 23 -15.099 -12.686 -2.041 1.00 0.00 N ATOM 0 H HIS A 23 -15.127 -11.337 2.867 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.769 -13.727 1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -13.487 -10.758 1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.153 -11.849 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.931 -12.592 -0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.589 -12.538 -3.550 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.910 -12.964 -2.594 1.00 0.00 H new ATOM 310 N HIS A 24 -11.551 -13.236 3.080 1.00 0.00 N ATOM 311 CA HIS A 24 -10.519 -13.260 4.110 1.00 0.00 C ATOM 312 C HIS A 24 -10.402 -11.901 4.794 1.00 0.00 C ATOM 313 O HIS A 24 -10.380 -10.853 4.148 1.00 0.00 O ATOM 314 CB HIS A 24 -9.173 -13.656 3.503 1.00 0.00 C ATOM 315 CG HIS A 24 -8.000 -13.301 4.364 1.00 0.00 C ATOM 316 ND1 HIS A 24 -7.474 -13.924 5.445 1.00 0.00 N flip ATOM 317 CD2 HIS A 24 -7.222 -12.181 4.153 1.00 0.00 C flip ATOM 318 CE1 HIS A 24 -6.399 -13.178 5.862 1.00 0.00 C flip ATOM 319 NE2 HIS A 24 -6.268 -12.132 5.065 1.00 0.00 N flip ATOM 0 H HIS A 24 -11.288 -13.697 2.209 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.804 -14.000 4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.168 -14.731 3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.063 -13.168 2.534 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.370 -11.457 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.764 -13.409 6.704 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.552 -11.410 5.141 1.00 0.00 H new ATOM 327 N PRO A 25 -10.326 -11.916 6.133 1.00 0.00 N ATOM 328 CA PRO A 25 -10.210 -10.693 6.933 1.00 0.00 C ATOM 329 C PRO A 25 -8.854 -10.017 6.766 1.00 0.00 C ATOM 330 O PRO A 25 -7.843 -10.680 6.535 1.00 0.00 O ATOM 331 CB PRO A 25 -10.385 -11.192 8.370 1.00 0.00 C ATOM 332 CG PRO A 25 -9.960 -12.619 8.330 1.00 0.00 C ATOM 333 CD PRO A 25 -10.346 -13.128 6.969 1.00 0.00 C ATOM 0 HA PRO A 25 -10.941 -9.941 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.775 -10.617 9.066 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.420 -11.096 8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.886 -12.711 8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.450 -13.194 9.115 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.643 -13.878 6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.332 -13.593 6.979 1.00 0.00 H new ATOM 341 N ASN A 26 -8.839 -8.693 6.885 1.00 0.00 N ATOM 342 CA ASN A 26 -7.605 -7.927 6.747 1.00 0.00 C ATOM 343 C ASN A 26 -6.969 -8.163 5.380 1.00 0.00 C ATOM 344 O ASN A 26 -5.769 -8.418 5.280 1.00 0.00 O ATOM 345 CB ASN A 26 -6.619 -8.305 7.853 1.00 0.00 C ATOM 346 CG ASN A 26 -6.925 -7.607 9.164 1.00 0.00 C ATOM 347 OD1 ASN A 26 -7.790 -6.734 9.228 1.00 0.00 O ATOM 348 ND2 ASN A 26 -6.215 -7.991 10.219 1.00 0.00 N ATOM 0 H ASN A 26 -9.667 -8.129 7.077 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.851 -6.869 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.644 -9.384 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.607 -8.051 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.377 -7.558 11.128 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.508 -8.719 10.120 1.00 0.00 H new ATOM 355 N GLN A 27 -7.781 -8.075 4.332 1.00 0.00 N ATOM 356 CA GLN A 27 -7.297 -8.279 2.972 1.00 0.00 C ATOM 357 C GLN A 27 -6.708 -6.991 2.405 1.00 0.00 C ATOM 358 O GLN A 27 -5.631 -6.999 1.810 1.00 0.00 O ATOM 359 CB GLN A 27 -8.432 -8.773 2.073 1.00 0.00 C ATOM 360 CG GLN A 27 -9.556 -7.765 1.902 1.00 0.00 C ATOM 361 CD GLN A 27 -10.879 -8.419 1.552 1.00 0.00 C ATOM 362 OE1 GLN A 27 -11.235 -8.537 0.380 1.00 0.00 O ATOM 363 NE2 GLN A 27 -11.614 -8.850 2.571 1.00 0.00 N ATOM 0 H GLN A 27 -8.777 -7.864 4.398 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.512 -9.034 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.026 -9.021 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.841 -9.693 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.670 -7.194 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.287 -7.056 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.280 -8.731 3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.513 -9.300 2.397 1.00 0.00 H new ATOM 372 N TYR A 28 -7.422 -5.887 2.593 1.00 0.00 N ATOM 373 CA TYR A 28 -6.971 -4.592 2.098 1.00 0.00 C ATOM 374 C TYR A 28 -6.484 -3.710 3.244 1.00 0.00 C ATOM 375 O TYR A 28 -6.879 -3.894 4.395 1.00 0.00 O ATOM 376 CB TYR A 28 -8.102 -3.889 1.345 1.00 0.00 C ATOM 377 CG TYR A 28 -8.353 -4.454 -0.035 1.00 0.00 C ATOM 378 CD1 TYR A 28 -7.457 -4.229 -1.073 1.00 0.00 C ATOM 379 CD2 TYR A 28 -9.486 -5.212 -0.302 1.00 0.00 C ATOM 380 CE1 TYR A 28 -7.682 -4.742 -2.335 1.00 0.00 C ATOM 381 CE2 TYR A 28 -9.719 -5.730 -1.560 1.00 0.00 C ATOM 382 CZ TYR A 28 -8.814 -5.493 -2.574 1.00 0.00 C ATOM 383 OH TYR A 28 -9.043 -6.007 -3.830 1.00 0.00 O ATOM 0 H TYR A 28 -8.315 -5.863 3.085 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.139 -4.762 1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.018 -3.963 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.865 -2.829 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.569 -3.642 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.197 -5.399 0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.976 -4.556 -3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.605 -6.318 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.883 -6.512 -3.829 1.00 0.00 H new ATOM 393 N ALA A 29 -5.622 -2.752 2.919 1.00 0.00 N ATOM 394 CA ALA A 29 -5.082 -1.839 3.919 1.00 0.00 C ATOM 395 C ALA A 29 -5.391 -0.389 3.563 1.00 0.00 C ATOM 396 O ALA A 29 -5.268 0.017 2.407 1.00 0.00 O ATOM 397 CB ALA A 29 -3.581 -2.042 4.062 1.00 0.00 C ATOM 0 H ALA A 29 -5.283 -2.588 1.971 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.560 -2.060 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.191 -1.354 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.380 -3.068 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.095 -1.850 3.105 1.00 0.00 H new ATOM 403 N THR A 30 -5.793 0.389 4.563 1.00 0.00 N ATOM 404 CA THR A 30 -6.121 1.794 4.355 1.00 0.00 C ATOM 405 C THR A 30 -4.985 2.698 4.819 1.00 0.00 C ATOM 406 O THR A 30 -4.729 2.825 6.016 1.00 0.00 O ATOM 407 CB THR A 30 -7.411 2.185 5.099 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.435 1.217 4.848 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.891 3.562 4.664 1.00 0.00 C ATOM 0 H THR A 30 -5.899 0.070 5.526 1.00 0.00 H new ATOM 0 HA THR A 30 -6.274 1.928 3.284 1.00 0.00 H new ATOM 0 HB THR A 30 -7.193 2.214 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.251 1.473 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.804 3.816 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.121 4.302 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.092 3.555 3.593 1.00 0.00 H new ATOM 417 N CYS A 31 -4.307 3.326 3.864 1.00 0.00 N ATOM 418 CA CYS A 31 -3.198 4.220 4.174 1.00 0.00 C ATOM 419 C CYS A 31 -3.653 5.353 5.090 1.00 0.00 C ATOM 420 O CYS A 31 -4.544 6.127 4.742 1.00 0.00 O ATOM 421 CB CYS A 31 -2.605 4.797 2.887 1.00 0.00 C ATOM 422 SG CYS A 31 -0.941 5.509 3.089 1.00 0.00 S ATOM 0 H CYS A 31 -4.507 3.232 2.868 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.432 3.642 4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.563 4.010 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.274 5.568 2.505 1.00 0.00 H new ATOM 427 N ARG A 32 -3.034 5.442 6.263 1.00 0.00 N ATOM 428 CA ARG A 32 -3.375 6.479 7.230 1.00 0.00 C ATOM 429 C ARG A 32 -2.724 7.807 6.854 1.00 0.00 C ATOM 430 O ARG A 32 -2.934 8.823 7.518 1.00 0.00 O ATOM 431 CB ARG A 32 -2.934 6.062 8.634 1.00 0.00 C ATOM 432 CG ARG A 32 -3.629 4.810 9.143 1.00 0.00 C ATOM 433 CD ARG A 32 -2.809 4.117 10.221 1.00 0.00 C ATOM 434 NE ARG A 32 -2.942 4.774 11.518 1.00 0.00 N ATOM 435 CZ ARG A 32 -2.479 4.262 12.652 1.00 0.00 C ATOM 436 NH1 ARG A 32 -1.855 3.092 12.650 1.00 0.00 N ATOM 437 NH2 ARG A 32 -2.639 4.921 13.793 1.00 0.00 N ATOM 0 H ARG A 32 -2.294 4.809 6.567 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.457 6.608 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.857 5.895 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.128 6.882 9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.609 5.073 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.797 4.123 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.128 3.078 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.760 4.105 9.927 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.417 5.676 11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.729 2.582 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.501 2.702 13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.118 5.822 13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.283 4.527 14.664 1.00 0.00 H new ATOM 451 N LEU A 33 -1.933 7.792 5.787 1.00 0.00 N ATOM 452 CA LEU A 33 -1.251 8.995 5.323 1.00 0.00 C ATOM 453 C LEU A 33 -2.114 9.760 4.324 1.00 0.00 C ATOM 454 O LEU A 33 -2.342 10.960 4.476 1.00 0.00 O ATOM 455 CB LEU A 33 0.089 8.630 4.681 1.00 0.00 C ATOM 456 CG LEU A 33 1.238 8.340 5.647 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.415 7.725 4.906 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.664 9.612 6.367 1.00 0.00 C ATOM 0 H LEU A 33 -1.748 6.960 5.227 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.071 9.636 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.060 7.753 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.390 9.447 4.025 1.00 0.00 H new ATOM 0 HG LEU A 33 0.890 7.624 6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.223 7.525 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.103 6.792 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.764 8.417 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.483 9.386 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.994 10.350 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.821 10.011 6.930 1.00 0.00 H new ATOM 470 N CYS A 34 -2.595 9.056 3.305 1.00 0.00 N ATOM 471 CA CYS A 34 -3.434 9.667 2.282 1.00 0.00 C ATOM 472 C CYS A 34 -4.859 9.124 2.351 1.00 0.00 C ATOM 473 O CYS A 34 -5.827 9.869 2.208 1.00 0.00 O ATOM 474 CB CYS A 34 -2.848 9.413 0.892 1.00 0.00 C ATOM 475 SG CYS A 34 -2.832 7.659 0.400 1.00 0.00 S ATOM 0 H CYS A 34 -2.418 8.061 3.166 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.463 10.741 2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.422 9.980 0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.828 9.796 0.864 1.00 0.00 H new ATOM 480 N GLY A 35 -4.978 7.818 2.573 1.00 0.00 N ATOM 481 CA GLY A 35 -6.287 7.197 2.658 1.00 0.00 C ATOM 482 C GLY A 35 -6.599 6.335 1.450 1.00 0.00 C ATOM 483 O GLY A 35 -7.761 6.180 1.075 1.00 0.00 O ATOM 0 H GLY A 35 -4.192 7.180 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.338 6.586 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.048 7.972 2.754 1.00 0.00 H new ATOM 487 N ARG A 36 -5.560 5.775 0.840 1.00 0.00 N ATOM 488 CA ARG A 36 -5.730 4.928 -0.334 1.00 0.00 C ATOM 489 C ARG A 36 -5.586 3.454 0.034 1.00 0.00 C ATOM 490 O ARG A 36 -4.729 3.086 0.837 1.00 0.00 O ATOM 491 CB ARG A 36 -4.706 5.298 -1.409 1.00 0.00 C ATOM 492 CG ARG A 36 -5.161 6.425 -2.321 1.00 0.00 C ATOM 493 CD ARG A 36 -4.568 6.288 -3.715 1.00 0.00 C ATOM 494 NE ARG A 36 -4.821 7.468 -4.536 1.00 0.00 N ATOM 495 CZ ARG A 36 -4.501 7.551 -5.823 1.00 0.00 C ATOM 496 NH1 ARG A 36 -3.920 6.527 -6.432 1.00 0.00 N ATOM 497 NH2 ARG A 36 -4.763 8.660 -6.503 1.00 0.00 N ATOM 0 H ARG A 36 -4.592 5.892 1.139 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.734 5.091 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.773 5.587 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.492 4.417 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.249 6.425 -2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.867 7.383 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.493 6.124 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.990 5.409 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.268 8.273 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.718 5.673 -5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.675 6.593 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.210 9.450 -6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.517 8.723 -7.491 1.00 0.00 H new ATOM 511 N GLN A 37 -6.431 2.616 -0.558 1.00 0.00 N ATOM 512 CA GLN A 37 -6.399 1.183 -0.290 1.00 0.00 C ATOM 513 C GLN A 37 -5.190 0.533 -0.955 1.00 0.00 C ATOM 514 O GLN A 37 -4.932 0.743 -2.140 1.00 0.00 O ATOM 515 CB GLN A 37 -7.686 0.521 -0.786 1.00 0.00 C ATOM 516 CG GLN A 37 -8.947 1.110 -0.175 1.00 0.00 C ATOM 517 CD GLN A 37 -9.215 2.527 -0.642 1.00 0.00 C ATOM 518 OE1 GLN A 37 -9.387 2.777 -1.836 1.00 0.00 O ATOM 519 NE2 GLN A 37 -9.254 3.463 0.298 1.00 0.00 N ATOM 0 H GLN A 37 -7.146 2.904 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.318 1.042 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.739 0.616 -1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.647 -0.545 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.799 0.480 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.859 1.100 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.106 3.211 1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.432 4.434 0.043 1.00 0.00 H new ATOM 528 N VAL A 38 -4.451 -0.258 -0.183 1.00 0.00 N ATOM 529 CA VAL A 38 -3.269 -0.940 -0.697 1.00 0.00 C ATOM 530 C VAL A 38 -3.270 -2.413 -0.305 1.00 0.00 C ATOM 531 O VAL A 38 -3.095 -2.755 0.864 1.00 0.00 O ATOM 532 CB VAL A 38 -1.974 -0.284 -0.182 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.754 -1.018 -0.719 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.933 1.187 -0.566 1.00 0.00 C ATOM 0 H VAL A 38 -4.650 -0.442 0.800 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.303 -0.856 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.960 -0.352 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.152 -0.541 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.780 -2.057 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.759 -0.983 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.011 1.635 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.970 1.281 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.788 1.701 -0.128 1.00 0.00 H new ATOM 544 N SER A 39 -3.469 -3.282 -1.291 1.00 0.00 N ATOM 545 CA SER A 39 -3.497 -4.720 -1.049 1.00 0.00 C ATOM 546 C SER A 39 -2.083 -5.273 -0.901 1.00 0.00 C ATOM 547 O SER A 39 -1.128 -4.721 -1.448 1.00 0.00 O ATOM 548 CB SER A 39 -4.221 -5.437 -2.190 1.00 0.00 C ATOM 549 OG SER A 39 -3.556 -5.232 -3.424 1.00 0.00 O ATOM 0 H SER A 39 -3.613 -3.015 -2.265 1.00 0.00 H new ATOM 0 HA SER A 39 -4.037 -4.897 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.276 -6.504 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.246 -5.073 -2.261 1.00 0.00 H new ATOM 0 HG SER A 39 -4.037 -5.702 -4.137 1.00 0.00 H new ATOM 555 N ARG A 40 -1.957 -6.368 -0.158 1.00 0.00 N ATOM 556 CA ARG A 40 -0.661 -6.997 0.063 1.00 0.00 C ATOM 557 C ARG A 40 -0.357 -8.017 -1.030 1.00 0.00 C ATOM 558 O ARG A 40 0.746 -8.049 -1.575 1.00 0.00 O ATOM 559 CB ARG A 40 -0.627 -7.676 1.433 1.00 0.00 C ATOM 560 CG ARG A 40 -0.685 -6.702 2.598 1.00 0.00 C ATOM 561 CD ARG A 40 -0.712 -7.430 3.933 1.00 0.00 C ATOM 562 NE ARG A 40 -1.953 -8.177 4.123 1.00 0.00 N ATOM 563 CZ ARG A 40 -2.059 -9.235 4.920 1.00 0.00 C ATOM 564 NH1 ARG A 40 -1.004 -9.667 5.597 1.00 0.00 N ATOM 565 NH2 ARG A 40 -3.222 -9.862 5.041 1.00 0.00 N ATOM 0 H ARG A 40 -2.737 -6.838 0.301 1.00 0.00 H new ATOM 0 HA ARG A 40 0.102 -6.219 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.466 -8.368 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.284 -8.270 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.179 -6.038 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.572 -6.076 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.135 -8.113 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.595 -6.709 4.742 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.783 -7.870 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.109 -9.187 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.088 -10.479 6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.036 -9.532 4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.302 -10.674 5.653 1.00 0.00 H new ATOM 579 N GLY A 41 -1.344 -8.850 -1.346 1.00 0.00 N ATOM 580 CA GLY A 41 -1.163 -9.860 -2.372 1.00 0.00 C ATOM 581 C GLY A 41 -0.274 -10.999 -1.914 1.00 0.00 C ATOM 582 O GLY A 41 0.435 -10.897 -0.913 1.00 0.00 O ATOM 0 H GLY A 41 -2.266 -8.843 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.136 -10.257 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.729 -9.399 -3.259 1.00 0.00 H new ATOM 586 N PRO A 42 -0.307 -12.116 -2.656 1.00 0.00 N ATOM 587 CA PRO A 42 0.495 -13.301 -2.338 1.00 0.00 C ATOM 588 C PRO A 42 1.985 -13.073 -2.571 1.00 0.00 C ATOM 589 O PRO A 42 2.524 -13.444 -3.613 1.00 0.00 O ATOM 590 CB PRO A 42 -0.041 -14.361 -3.303 1.00 0.00 C ATOM 591 CG PRO A 42 -0.595 -13.586 -4.448 1.00 0.00 C ATOM 592 CD PRO A 42 -1.129 -12.308 -3.862 1.00 0.00 C ATOM 0 HA PRO A 42 0.411 -13.580 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.750 -15.036 -3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.809 -14.974 -2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.176 -13.383 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.384 -14.144 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.025 -11.474 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.188 -12.390 -3.618 1.00 0.00 H new ATOM 600 N GLY A 43 2.645 -12.459 -1.594 1.00 0.00 N ATOM 601 CA GLY A 43 4.067 -12.192 -1.713 1.00 0.00 C ATOM 602 C GLY A 43 4.486 -10.942 -0.965 1.00 0.00 C ATOM 603 O GLY A 43 5.263 -10.136 -1.475 1.00 0.00 O ATOM 0 H GLY A 43 2.221 -12.142 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.627 -13.045 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.327 -12.086 -2.766 1.00 0.00 H new ATOM 607 N VAL A 44 3.970 -10.779 0.249 1.00 0.00 N ATOM 608 CA VAL A 44 4.295 -9.618 1.069 1.00 0.00 C ATOM 609 C VAL A 44 5.139 -10.016 2.275 1.00 0.00 C ATOM 610 O VAL A 44 5.023 -9.427 3.348 1.00 0.00 O ATOM 611 CB VAL A 44 3.022 -8.904 1.561 1.00 0.00 C ATOM 612 CG1 VAL A 44 2.283 -9.766 2.574 1.00 0.00 C ATOM 613 CG2 VAL A 44 3.368 -7.547 2.154 1.00 0.00 C ATOM 0 H VAL A 44 3.325 -11.437 0.687 1.00 0.00 H new ATOM 0 HA VAL A 44 4.865 -8.935 0.439 1.00 0.00 H new ATOM 0 HB VAL A 44 2.363 -8.744 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.387 -9.245 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.001 -10.711 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.931 -9.960 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.457 -7.057 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.047 -7.680 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.849 -6.930 1.395 1.00 0.00 H new ATOM 623 N ASN A 45 5.990 -11.020 2.089 1.00 0.00 N ATOM 624 CA ASN A 45 6.854 -11.497 3.162 1.00 0.00 C ATOM 625 C ASN A 45 8.324 -11.280 2.814 1.00 0.00 C ATOM 626 O ASN A 45 9.146 -11.002 3.688 1.00 0.00 O ATOM 627 CB ASN A 45 6.597 -12.981 3.431 1.00 0.00 C ATOM 628 CG ASN A 45 7.138 -13.428 4.776 1.00 0.00 C ATOM 629 OD1 ASN A 45 7.949 -14.351 4.855 1.00 0.00 O ATOM 630 ND2 ASN A 45 6.691 -12.772 5.841 1.00 0.00 N ATOM 0 H ASN A 45 6.099 -11.518 1.206 1.00 0.00 H new ATOM 0 HA ASN A 45 6.623 -10.926 4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.525 -13.174 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.057 -13.575 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.020 -13.027 6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.019 -12.013 5.728 1.00 0.00 H new ATOM 637 N VAL A 46 8.648 -11.409 1.531 1.00 0.00 N ATOM 638 CA VAL A 46 10.017 -11.225 1.066 1.00 0.00 C ATOM 639 C VAL A 46 10.737 -10.160 1.885 1.00 0.00 C ATOM 640 O VAL A 46 11.891 -10.336 2.275 1.00 0.00 O ATOM 641 CB VAL A 46 10.057 -10.827 -0.421 1.00 0.00 C ATOM 642 CG1 VAL A 46 11.484 -10.534 -0.858 1.00 0.00 C ATOM 643 CG2 VAL A 46 9.441 -11.921 -1.281 1.00 0.00 C ATOM 0 H VAL A 46 7.980 -11.640 0.795 1.00 0.00 H new ATOM 0 HA VAL A 46 10.525 -12.181 1.192 1.00 0.00 H new ATOM 0 HB VAL A 46 9.469 -9.918 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.492 -10.255 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.886 -9.714 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.098 -11.423 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.477 -11.624 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.000 -12.847 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.404 -12.077 -0.984 1.00 0.00 H new ATOM 653 N GLY A 47 10.048 -9.053 2.144 1.00 0.00 N ATOM 654 CA GLY A 47 10.637 -7.975 2.916 1.00 0.00 C ATOM 655 C GLY A 47 9.961 -6.642 2.661 1.00 0.00 C ATOM 656 O GLY A 47 9.222 -6.140 3.508 1.00 0.00 O ATOM 0 H GLY A 47 9.092 -8.884 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.572 -8.215 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.696 -7.894 2.672 1.00 0.00 H new ATOM 660 N THR A 48 10.215 -6.066 1.490 1.00 0.00 N ATOM 661 CA THR A 48 9.628 -4.782 1.127 1.00 0.00 C ATOM 662 C THR A 48 8.105 -4.851 1.138 1.00 0.00 C ATOM 663 O THR A 48 7.478 -5.126 0.114 1.00 0.00 O ATOM 664 CB THR A 48 10.100 -4.322 -0.265 1.00 0.00 C ATOM 665 OG1 THR A 48 11.531 -4.299 -0.314 1.00 0.00 O ATOM 666 CG2 THR A 48 9.554 -2.940 -0.592 1.00 0.00 C ATOM 0 H THR A 48 10.823 -6.468 0.777 1.00 0.00 H new ATOM 0 HA THR A 48 9.962 -4.060 1.872 1.00 0.00 H new ATOM 0 HB THR A 48 9.723 -5.029 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.823 -4.007 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.901 -2.636 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.464 -2.968 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.905 -2.225 0.152 1.00 0.00 H new ATOM 674 N THR A 49 7.514 -4.600 2.301 1.00 0.00 N ATOM 675 CA THR A 49 6.064 -4.634 2.445 1.00 0.00 C ATOM 676 C THR A 49 5.389 -3.712 1.436 1.00 0.00 C ATOM 677 O THR A 49 5.716 -2.528 1.348 1.00 0.00 O ATOM 678 CB THR A 49 5.630 -4.226 3.866 1.00 0.00 C ATOM 679 OG1 THR A 49 6.533 -4.779 4.831 1.00 0.00 O ATOM 680 CG2 THR A 49 4.215 -4.702 4.157 1.00 0.00 C ATOM 0 H THR A 49 8.017 -4.371 3.158 1.00 0.00 H new ATOM 0 HA THR A 49 5.753 -5.662 2.259 1.00 0.00 H new ATOM 0 HB THR A 49 5.651 -3.138 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.252 -4.514 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.931 -4.402 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.526 -4.257 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.173 -5.788 4.076 1.00 0.00 H new ATOM 688 N ALA A 50 4.447 -4.261 0.677 1.00 0.00 N ATOM 689 CA ALA A 50 3.724 -3.486 -0.324 1.00 0.00 C ATOM 690 C ALA A 50 3.506 -2.051 0.145 1.00 0.00 C ATOM 691 O ALA A 50 3.590 -1.110 -0.645 1.00 0.00 O ATOM 692 CB ALA A 50 2.392 -4.148 -0.643 1.00 0.00 C ATOM 0 H ALA A 50 4.166 -5.240 0.736 1.00 0.00 H new ATOM 0 HA ALA A 50 4.328 -3.456 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.863 -3.559 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.568 -5.152 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.789 -4.208 0.263 1.00 0.00 H new ATOM 698 N LEU A 51 3.224 -1.891 1.433 1.00 0.00 N ATOM 699 CA LEU A 51 2.993 -0.570 2.007 1.00 0.00 C ATOM 700 C LEU A 51 4.173 0.356 1.735 1.00 0.00 C ATOM 701 O LEU A 51 4.003 1.454 1.204 1.00 0.00 O ATOM 702 CB LEU A 51 2.755 -0.682 3.514 1.00 0.00 C ATOM 703 CG LEU A 51 1.748 -1.744 3.958 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.784 -1.916 5.469 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.346 -1.377 3.494 1.00 0.00 C ATOM 0 H LEU A 51 3.150 -2.659 2.100 1.00 0.00 H new ATOM 0 HA LEU A 51 2.106 -0.146 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.709 -0.890 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.416 0.287 3.881 1.00 0.00 H new ATOM 0 HG LEU A 51 2.024 -2.693 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.061 -2.676 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.783 -2.226 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.534 -0.970 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.357 -2.144 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.060 -0.417 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.329 -1.307 2.406 1.00 0.00 H new ATOM 717 N TRP A 52 5.368 -0.094 2.099 1.00 0.00 N ATOM 718 CA TRP A 52 6.578 0.694 1.892 1.00 0.00 C ATOM 719 C TRP A 52 6.637 1.236 0.468 1.00 0.00 C ATOM 720 O TRP A 52 6.820 2.435 0.256 1.00 0.00 O ATOM 721 CB TRP A 52 7.819 -0.152 2.180 1.00 0.00 C ATOM 722 CG TRP A 52 8.105 -0.306 3.644 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.894 -1.419 4.407 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.654 0.685 4.518 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.278 -1.178 5.705 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.748 0.105 5.799 1.00 0.00 C ATOM 727 CE3 TRP A 52 9.076 2.006 4.345 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.246 0.802 6.896 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.570 2.696 5.436 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.653 2.093 6.698 1.00 0.00 C ATOM 0 H TRP A 52 5.525 -1.001 2.539 1.00 0.00 H new ATOM 0 HA TRP A 52 6.554 1.537 2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.688 -1.139 1.737 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.682 0.304 1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.486 -2.351 4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.222 -1.846 6.473 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.017 2.479 3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.309 0.340 7.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.898 3.718 5.314 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.046 2.658 7.530 1.00 0.00 H new ATOM 741 N LYS A 53 6.481 0.346 -0.506 1.00 0.00 N ATOM 742 CA LYS A 53 6.515 0.735 -1.911 1.00 0.00 C ATOM 743 C LYS A 53 5.654 1.970 -2.155 1.00 0.00 C ATOM 744 O LYS A 53 6.045 2.877 -2.890 1.00 0.00 O ATOM 745 CB LYS A 53 6.031 -0.419 -2.793 1.00 0.00 C ATOM 746 CG LYS A 53 7.096 -1.470 -3.056 1.00 0.00 C ATOM 747 CD LYS A 53 6.522 -2.676 -3.781 1.00 0.00 C ATOM 748 CE LYS A 53 7.347 -3.927 -3.522 1.00 0.00 C ATOM 749 NZ LYS A 53 6.903 -5.069 -4.368 1.00 0.00 N ATOM 0 H LYS A 53 6.330 -0.650 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 53 7.546 0.975 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.173 -0.894 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.685 -0.017 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.899 -1.035 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.536 -1.788 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.495 -2.842 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.489 -2.476 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.398 -3.716 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.269 -4.202 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.490 -5.903 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.907 -5.287 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.001 -4.816 -5.372 1.00 0.00 H new ATOM 763 N HIS A 54 4.479 1.999 -1.532 1.00 0.00 N ATOM 764 CA HIS A 54 3.564 3.125 -1.681 1.00 0.00 C ATOM 765 C HIS A 54 4.087 4.352 -0.940 1.00 0.00 C ATOM 766 O HIS A 54 4.053 5.467 -1.463 1.00 0.00 O ATOM 767 CB HIS A 54 2.176 2.753 -1.158 1.00 0.00 C ATOM 768 CG HIS A 54 1.190 3.878 -1.223 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.646 4.335 -2.405 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.648 4.638 -0.242 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.186 5.329 -2.149 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.203 5.532 -0.844 1.00 0.00 N ATOM 0 H HIS A 54 4.139 1.257 -0.920 1.00 0.00 H new ATOM 0 HA HIS A 54 3.493 3.366 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.793 1.911 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.264 2.417 -0.125 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.854 3.964 -3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.848 4.556 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.755 5.881 -2.882 1.00 0.00 H new ATOM 780 N LEU A 55 4.569 4.140 0.279 1.00 0.00 N ATOM 781 CA LEU A 55 5.099 5.229 1.092 1.00 0.00 C ATOM 782 C LEU A 55 6.259 5.923 0.385 1.00 0.00 C ATOM 783 O LEU A 55 6.308 7.150 0.305 1.00 0.00 O ATOM 784 CB LEU A 55 5.559 4.700 2.452 1.00 0.00 C ATOM 785 CG LEU A 55 4.459 4.179 3.377 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.047 3.281 4.454 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.697 5.338 4.004 1.00 0.00 C ATOM 0 H LEU A 55 4.604 3.224 0.727 1.00 0.00 H new ATOM 0 HA LEU A 55 4.302 5.957 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.275 3.896 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.092 5.498 2.968 1.00 0.00 H new ATOM 0 HG LEU A 55 3.761 3.589 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.249 2.920 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.547 2.432 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.767 3.846 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.918 4.949 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.384 5.954 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.242 5.942 3.219 1.00 0.00 H new ATOM 799 N LYS A 56 7.191 5.128 -0.130 1.00 0.00 N ATOM 800 CA LYS A 56 8.350 5.663 -0.835 1.00 0.00 C ATOM 801 C LYS A 56 7.975 6.095 -2.249 1.00 0.00 C ATOM 802 O LYS A 56 8.767 6.732 -2.944 1.00 0.00 O ATOM 803 CB LYS A 56 9.468 4.619 -0.888 1.00 0.00 C ATOM 804 CG LYS A 56 9.773 3.986 0.459 1.00 0.00 C ATOM 805 CD LYS A 56 10.240 2.548 0.306 1.00 0.00 C ATOM 806 CE LYS A 56 11.695 2.478 -0.131 1.00 0.00 C ATOM 807 NZ LYS A 56 11.830 2.468 -1.614 1.00 0.00 N ATOM 0 H LYS A 56 7.166 4.110 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 56 8.704 6.537 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.189 3.836 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.374 5.088 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.541 4.567 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.882 4.015 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.118 2.022 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.614 2.037 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.238 3.330 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.155 1.580 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.806 2.217 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.174 1.769 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.604 3.411 -1.989 1.00 0.00 H new ATOM 821 N SER A 57 6.763 5.744 -2.668 1.00 0.00 N ATOM 822 CA SER A 57 6.285 6.093 -4.000 1.00 0.00 C ATOM 823 C SER A 57 5.739 7.518 -4.026 1.00 0.00 C ATOM 824 O SER A 57 5.990 8.274 -4.964 1.00 0.00 O ATOM 825 CB SER A 57 5.201 5.112 -4.449 1.00 0.00 C ATOM 826 OG SER A 57 4.570 5.557 -5.638 1.00 0.00 O ATOM 0 H SER A 57 6.095 5.218 -2.104 1.00 0.00 H new ATOM 0 HA SER A 57 7.128 6.033 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.642 4.129 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.458 5.000 -3.659 1.00 0.00 H new ATOM 0 HG SER A 57 3.882 4.912 -5.905 1.00 0.00 H new ATOM 832 N MET A 58 4.990 7.876 -2.988 1.00 0.00 N ATOM 833 CA MET A 58 4.410 9.210 -2.889 1.00 0.00 C ATOM 834 C MET A 58 4.811 9.883 -1.581 1.00 0.00 C ATOM 835 O MET A 58 5.018 11.096 -1.533 1.00 0.00 O ATOM 836 CB MET A 58 2.885 9.135 -2.990 1.00 0.00 C ATOM 837 CG MET A 58 2.233 8.419 -1.818 1.00 0.00 C ATOM 838 SD MET A 58 0.492 8.846 -1.625 1.00 0.00 S ATOM 839 CE MET A 58 -0.076 8.728 -3.319 1.00 0.00 C ATOM 0 H MET A 58 4.771 7.261 -2.204 1.00 0.00 H new ATOM 0 HA MET A 58 4.794 9.807 -3.716 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.483 10.146 -3.057 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.615 8.623 -3.914 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.326 7.342 -1.958 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.768 8.668 -0.902 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.163 8.646 -3.333 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.228 9.620 -3.868 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.361 7.847 -3.789 1.00 0.00 H new ATOM 849 N HIS A 59 4.919 9.089 -0.521 1.00 0.00 N ATOM 850 CA HIS A 59 5.297 9.608 0.789 1.00 0.00 C ATOM 851 C HIS A 59 6.807 9.532 0.989 1.00 0.00 C ATOM 852 O HIS A 59 7.293 9.511 2.120 1.00 0.00 O ATOM 853 CB HIS A 59 4.584 8.829 1.895 1.00 0.00 C ATOM 854 CG HIS A 59 3.093 8.821 1.756 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.309 9.930 1.994 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.243 7.830 1.400 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.040 9.621 1.792 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.973 8.352 1.430 1.00 0.00 N ATOM 0 H HIS A 59 4.750 8.083 -0.543 1.00 0.00 H new ATOM 0 HA HIS A 59 4.994 10.654 0.839 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.946 7.801 1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.848 9.260 2.860 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.654 10.846 2.281 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.513 6.817 1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.201 10.291 1.904 1.00 0.00 H new ATOM 866 N ARG A 60 7.544 9.490 -0.116 1.00 0.00 N ATOM 867 CA ARG A 60 8.999 9.414 -0.062 1.00 0.00 C ATOM 868 C ARG A 60 9.568 10.509 0.836 1.00 0.00 C ATOM 869 O ARG A 60 10.538 10.289 1.560 1.00 0.00 O ATOM 870 CB ARG A 60 9.591 9.535 -1.467 1.00 0.00 C ATOM 871 CG ARG A 60 11.100 9.712 -1.480 1.00 0.00 C ATOM 872 CD ARG A 60 11.694 9.332 -2.828 1.00 0.00 C ATOM 873 NE ARG A 60 12.034 7.914 -2.896 1.00 0.00 N ATOM 874 CZ ARG A 60 12.255 7.265 -4.034 1.00 0.00 C ATOM 875 NH1 ARG A 60 12.172 7.904 -5.192 1.00 0.00 N ATOM 876 NH2 ARG A 60 12.560 5.974 -4.014 1.00 0.00 N ATOM 0 H ARG A 60 7.157 9.507 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 60 9.271 8.445 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.334 8.643 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.130 10.383 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.348 10.748 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.546 9.097 -0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.983 9.573 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.588 9.928 -3.011 1.00 0.00 H new ATOM 0 HE ARG A 60 12.106 7.393 -2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.938 8.897 -5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.342 7.403 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.625 5.479 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.730 5.476 -4.888 1.00 0.00 H new ATOM 890 N GLU A 61 8.957 11.689 0.782 1.00 0.00 N ATOM 891 CA GLU A 61 9.403 12.818 1.590 1.00 0.00 C ATOM 892 C GLU A 61 9.096 12.586 3.066 1.00 0.00 C ATOM 893 O GLU A 61 9.903 12.911 3.937 1.00 0.00 O ATOM 894 CB GLU A 61 8.734 14.109 1.115 1.00 0.00 C ATOM 895 CG GLU A 61 9.182 14.555 -0.267 1.00 0.00 C ATOM 896 CD GLU A 61 8.320 15.669 -0.828 1.00 0.00 C ATOM 897 OE1 GLU A 61 7.079 15.531 -0.800 1.00 0.00 O ATOM 898 OE2 GLU A 61 8.887 16.679 -1.296 1.00 0.00 O ATOM 0 H GLU A 61 8.152 11.887 0.187 1.00 0.00 H new ATOM 0 HA GLU A 61 10.483 12.912 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.653 13.967 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.947 14.903 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.218 14.891 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.155 13.703 -0.946 1.00 0.00 H new ATOM 905 N GLU A 62 7.924 12.021 3.340 1.00 0.00 N ATOM 906 CA GLU A 62 7.510 11.747 4.711 1.00 0.00 C ATOM 907 C GLU A 62 8.466 10.765 5.381 1.00 0.00 C ATOM 908 O GLU A 62 8.945 11.005 6.491 1.00 0.00 O ATOM 909 CB GLU A 62 6.086 11.188 4.735 1.00 0.00 C ATOM 910 CG GLU A 62 5.675 10.627 6.086 1.00 0.00 C ATOM 911 CD GLU A 62 5.102 11.687 7.007 1.00 0.00 C ATOM 912 OE1 GLU A 62 5.890 12.469 7.577 1.00 0.00 O ATOM 913 OE2 GLU A 62 3.863 11.733 7.157 1.00 0.00 O ATOM 0 H GLU A 62 7.245 11.744 2.631 1.00 0.00 H new ATOM 0 HA GLU A 62 7.533 12.685 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.390 11.978 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.000 10.403 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.935 9.840 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.540 10.166 6.562 1.00 0.00 H new ATOM 920 N LEU A 63 8.739 9.657 4.701 1.00 0.00 N ATOM 921 CA LEU A 63 9.637 8.636 5.231 1.00 0.00 C ATOM 922 C LEU A 63 10.994 9.236 5.585 1.00 0.00 C ATOM 923 O LEU A 63 11.473 9.089 6.709 1.00 0.00 O ATOM 924 CB LEU A 63 9.815 7.508 4.213 1.00 0.00 C ATOM 925 CG LEU A 63 8.532 6.833 3.728 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.842 5.810 2.646 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.802 6.177 4.891 1.00 0.00 C ATOM 0 H LEU A 63 8.352 9.442 3.782 1.00 0.00 H new ATOM 0 HA LEU A 63 9.192 8.230 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.341 7.908 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.458 6.746 4.653 1.00 0.00 H new ATOM 0 HG LEU A 63 7.882 7.597 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.916 5.340 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.320 6.307 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.512 5.049 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.891 5.702 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.446 5.426 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.545 6.933 5.633 1.00 0.00 H new ATOM 939 N GLU A 64 11.607 9.912 4.618 1.00 0.00 N ATOM 940 CA GLU A 64 12.908 10.535 4.830 1.00 0.00 C ATOM 941 C GLU A 64 12.904 11.389 6.095 1.00 0.00 C ATOM 942 O GLU A 64 13.802 11.287 6.930 1.00 0.00 O ATOM 943 CB GLU A 64 13.289 11.394 3.623 1.00 0.00 C ATOM 944 CG GLU A 64 13.596 10.586 2.373 1.00 0.00 C ATOM 945 CD GLU A 64 13.991 11.458 1.197 1.00 0.00 C ATOM 946 OE1 GLU A 64 13.144 12.253 0.738 1.00 0.00 O ATOM 947 OE2 GLU A 64 15.145 11.346 0.735 1.00 0.00 O ATOM 0 H GLU A 64 11.224 10.042 3.682 1.00 0.00 H new ATOM 0 HA GLU A 64 13.646 9.742 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.474 12.085 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.160 11.998 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.402 9.885 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.721 9.994 2.104 1.00 0.00 H new ATOM 954 N LYS A 65 11.885 12.232 6.228 1.00 0.00 N ATOM 955 CA LYS A 65 11.761 13.105 7.390 1.00 0.00 C ATOM 956 C LYS A 65 11.935 12.316 8.684 1.00 0.00 C ATOM 957 O LYS A 65 12.672 12.728 9.579 1.00 0.00 O ATOM 958 CB LYS A 65 10.400 13.804 7.385 1.00 0.00 C ATOM 959 CG LYS A 65 10.365 15.072 8.220 1.00 0.00 C ATOM 960 CD LYS A 65 9.259 16.009 7.764 1.00 0.00 C ATOM 961 CE LYS A 65 7.941 15.694 8.456 1.00 0.00 C ATOM 962 NZ LYS A 65 7.964 16.078 9.895 1.00 0.00 N ATOM 0 H LYS A 65 11.133 12.329 5.546 1.00 0.00 H new ATOM 0 HA LYS A 65 12.549 13.857 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.130 14.048 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.644 13.112 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.216 14.814 9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.326 15.581 8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.544 17.040 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.133 15.927 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.131 16.222 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.730 14.628 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.989 16.172 10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.459 15.345 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.460 16.986 10.004 1.00 0.00 H new ATOM 976 N SER A 66 11.252 11.179 8.775 1.00 0.00 N ATOM 977 CA SER A 66 11.329 10.333 9.960 1.00 0.00 C ATOM 978 C SER A 66 12.534 9.401 9.885 1.00 0.00 C ATOM 979 O SER A 66 12.495 8.276 10.381 1.00 0.00 O ATOM 980 CB SER A 66 10.046 9.515 10.113 1.00 0.00 C ATOM 981 OG SER A 66 9.037 10.266 10.766 1.00 0.00 O ATOM 0 H SER A 66 10.639 10.823 8.042 1.00 0.00 H new ATOM 0 HA SER A 66 11.445 10.979 10.830 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.692 9.201 9.131 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.254 8.609 10.681 1.00 0.00 H new ATOM 0 HG SER A 66 8.227 9.721 10.850 1.00 0.00 H new ATOM 987 N GLY A 67 13.606 9.878 9.260 1.00 0.00 N ATOM 988 CA GLY A 67 14.808 9.076 9.130 1.00 0.00 C ATOM 989 C GLY A 67 14.511 7.650 8.711 1.00 0.00 C ATOM 990 O GLY A 67 15.053 6.702 9.280 1.00 0.00 O ATOM 0 H GLY A 67 13.663 10.806 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.471 9.536 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.341 9.069 10.081 1.00 0.00 H new ATOM 994 N HIS A 68 13.645 7.496 7.714 1.00 0.00 N ATOM 995 CA HIS A 68 13.276 6.174 7.220 1.00 0.00 C ATOM 996 C HIS A 68 13.791 5.961 5.800 1.00 0.00 C ATOM 997 O HIS A 68 14.621 5.088 5.554 1.00 0.00 O ATOM 998 CB HIS A 68 11.757 6.000 7.256 1.00 0.00 C ATOM 999 CG HIS A 68 11.208 5.816 8.637 1.00 0.00 C ATOM 1000 ND1 HIS A 68 11.779 4.974 9.568 1.00 0.00 N ATOM 1001 CD2 HIS A 68 10.133 6.372 9.244 1.00 0.00 C ATOM 1002 CE1 HIS A 68 11.079 5.020 10.687 1.00 0.00 C ATOM 1003 NE2 HIS A 68 10.075 5.861 10.517 1.00 0.00 N ATOM 0 H HIS A 68 13.186 8.270 7.233 1.00 0.00 H new ATOM 0 HA HIS A 68 13.736 5.429 7.869 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.289 6.873 6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.484 5.138 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.449 7.085 8.808 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.292 4.464 11.588 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.371 6.093 11.218 1.00 0.00 H new ATOM 1011 N GLY A 69 13.290 6.766 4.867 1.00 0.00 N ATOM 1012 CA GLY A 69 13.711 6.649 3.483 1.00 0.00 C ATOM 1013 C GLY A 69 13.752 5.209 3.009 1.00 0.00 C ATOM 1014 O GLY A 69 12.712 4.570 2.856 1.00 0.00 O ATOM 0 H GLY A 69 12.601 7.496 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.030 7.217 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.699 7.094 3.368 1.00 0.00 H new ATOM 1018 N GLN A 70 14.957 4.699 2.777 1.00 0.00 N ATOM 1019 CA GLN A 70 15.129 3.326 2.315 1.00 0.00 C ATOM 1020 C GLN A 70 15.296 2.373 3.494 1.00 0.00 C ATOM 1021 O GLN A 70 16.156 1.492 3.475 1.00 0.00 O ATOM 1022 CB GLN A 70 16.341 3.226 1.387 1.00 0.00 C ATOM 1023 CG GLN A 70 16.085 3.772 -0.009 1.00 0.00 C ATOM 1024 CD GLN A 70 16.315 5.268 -0.101 1.00 0.00 C ATOM 1025 OE1 GLN A 70 15.515 6.063 0.391 1.00 0.00 O ATOM 1026 NE2 GLN A 70 17.415 5.659 -0.735 1.00 0.00 N ATOM 0 H GLN A 70 15.828 5.215 2.901 1.00 0.00 H new ATOM 0 HA GLN A 70 14.234 3.039 1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.175 3.768 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.644 2.182 1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.737 3.264 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.059 3.547 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 70 18.051 4.965 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.624 6.653 -0.829 1.00 0.00 H new ATOM 1035 N SER A 71 14.469 2.555 4.518 1.00 0.00 N ATOM 1036 CA SER A 71 14.528 1.714 5.707 1.00 0.00 C ATOM 1037 C SER A 71 14.801 0.261 5.332 1.00 0.00 C ATOM 1038 O SER A 71 13.905 -0.457 4.890 1.00 0.00 O ATOM 1039 CB SER A 71 13.219 1.812 6.493 1.00 0.00 C ATOM 1040 OG SER A 71 12.886 3.163 6.763 1.00 0.00 O ATOM 0 H SER A 71 13.750 3.278 4.548 1.00 0.00 H new ATOM 0 HA SER A 71 15.347 2.070 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.415 1.342 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.312 1.263 7.430 1.00 0.00 H new ATOM 0 HG SER A 71 12.614 3.252 7.700 1.00 0.00 H new ATOM 1046 N GLY A 72 16.048 -0.166 5.511 1.00 0.00 N ATOM 1047 CA GLY A 72 16.418 -1.531 5.186 1.00 0.00 C ATOM 1048 C GLY A 72 17.788 -1.623 4.544 1.00 0.00 C ATOM 1049 O GLY A 72 18.640 -0.753 4.722 1.00 0.00 O ATOM 0 H GLY A 72 16.808 0.409 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.404 -2.134 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.675 -1.955 4.511 1.00 0.00 H new ATOM 1053 N PRO A 73 18.015 -2.700 3.776 1.00 0.00 N ATOM 1054 CA PRO A 73 19.290 -2.928 3.090 1.00 0.00 C ATOM 1055 C PRO A 73 19.518 -1.944 1.948 1.00 0.00 C ATOM 1056 O PRO A 73 18.601 -1.236 1.534 1.00 0.00 O ATOM 1057 CB PRO A 73 19.152 -4.353 2.549 1.00 0.00 C ATOM 1058 CG PRO A 73 17.684 -4.564 2.409 1.00 0.00 C ATOM 1059 CD PRO A 73 17.044 -3.776 3.519 1.00 0.00 C ATOM 0 HA PRO A 73 20.142 -2.791 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.661 -4.464 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.593 -5.080 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.332 -4.223 1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.433 -5.622 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 73 16.073 -3.379 3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.880 -4.390 4.405 1.00 0.00 H new ATOM 1067 N SER A 74 20.747 -1.905 1.443 1.00 0.00 N ATOM 1068 CA SER A 74 21.096 -1.006 0.350 1.00 0.00 C ATOM 1069 C SER A 74 20.157 -1.201 -0.836 1.00 0.00 C ATOM 1070 O SER A 74 19.648 -2.298 -1.064 1.00 0.00 O ATOM 1071 CB SER A 74 22.544 -1.238 -0.088 1.00 0.00 C ATOM 1072 OG SER A 74 23.452 -0.862 0.934 1.00 0.00 O ATOM 0 H SER A 74 21.518 -2.486 1.774 1.00 0.00 H new ATOM 0 HA SER A 74 20.992 0.018 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.688 -2.289 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.750 -0.664 -0.992 1.00 0.00 H new ATOM 0 HG SER A 74 24.370 -1.021 0.631 1.00 0.00 H new ATOM 1078 N SER A 75 19.933 -0.129 -1.589 1.00 0.00 N ATOM 1079 CA SER A 75 19.052 -0.180 -2.750 1.00 0.00 C ATOM 1080 C SER A 75 19.637 -1.078 -3.836 1.00 0.00 C ATOM 1081 O SER A 75 20.704 -0.798 -4.381 1.00 0.00 O ATOM 1082 CB SER A 75 18.822 1.227 -3.305 1.00 0.00 C ATOM 1083 OG SER A 75 20.045 1.831 -3.685 1.00 0.00 O ATOM 0 H SER A 75 20.350 0.786 -1.416 1.00 0.00 H new ATOM 0 HA SER A 75 18.097 -0.598 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.155 1.177 -4.165 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.327 1.842 -2.553 1.00 0.00 H new ATOM 0 HG SER A 75 20.658 1.144 -4.021 1.00 0.00 H new ATOM 1089 N GLY A 76 18.929 -2.160 -4.146 1.00 0.00 N ATOM 1090 CA GLY A 76 19.393 -3.083 -5.165 1.00 0.00 C ATOM 1091 C GLY A 76 18.343 -4.111 -5.537 1.00 0.00 C ATOM 1092 O GLY A 76 18.549 -4.859 -6.492 1.00 0.00 O ATOM 0 H GLY A 76 18.043 -2.414 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 76 19.680 -2.523 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 76 20.287 -3.594 -4.808 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.750 6.771 1.092 1.00 0.00 ZN