USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 Set 1.1: A 39 ASN : amide:sc= -0.455 X(o=-0.12,f=-0.13) USER MOD Set 1.2: A 43 THR OG1 : rot -48:sc= 0.334 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0452 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.605 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 92:sc= -0.225 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.316 K(o=-0.32,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 24:sc= 0.0272 USER MOD Single : A 26 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.8!) USER MOD Single : A 28 MET CE :methyl -152:sc=-0.00142 (180deg=-0.16) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0923 K(o=-0.092,f=-4!) USER MOD Single : A 47 HIS : no HD1:sc= -0.972 X(o=-0.97,f=-1) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0211 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -176:sc= -0.882 (180deg=-0.897) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.843 F(o=-4.1,f=-0.84) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -145:sc= -0.142 (180deg=-1.19) USER MOD Single : A 99 SER OG : rot 11:sc= 1.12 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.866 81.471 27.730 1.00 0.00 N ATOM 2 CA GLY A 1 33.843 80.472 27.482 1.00 0.00 C ATOM 3 C GLY A 1 34.363 79.058 27.645 1.00 0.00 C ATOM 4 O GLY A 1 35.362 78.831 28.327 1.00 0.00 O ATOM 0 H1 GLY A 1 34.528 82.143 28.449 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.731 81.005 28.071 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.073 81.983 26.848 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.010 80.631 28.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.453 80.598 26.472 1.00 0.00 H new ATOM 8 N SER A 2 33.682 78.103 27.018 1.00 0.00 N ATOM 9 CA SER A 2 34.078 76.702 27.101 1.00 0.00 C ATOM 10 C SER A 2 33.471 75.898 25.956 1.00 0.00 C ATOM 11 O SER A 2 32.543 76.352 25.287 1.00 0.00 O ATOM 12 CB SER A 2 33.646 76.107 28.442 1.00 0.00 C ATOM 13 OG SER A 2 34.658 76.266 29.421 1.00 0.00 O ATOM 0 H SER A 2 32.854 78.274 26.447 1.00 0.00 H new ATOM 0 HA SER A 2 35.164 76.651 27.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.730 76.591 28.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.420 75.048 28.317 1.00 0.00 H new ATOM 0 HG SER A 2 35.111 77.125 29.287 1.00 0.00 H new ATOM 19 N SER A 3 34.003 74.699 25.736 1.00 0.00 N ATOM 20 CA SER A 3 33.517 73.832 24.669 1.00 0.00 C ATOM 21 C SER A 3 33.760 72.364 25.009 1.00 0.00 C ATOM 22 O SER A 3 34.799 72.008 25.564 1.00 0.00 O ATOM 23 CB SER A 3 34.203 74.181 23.347 1.00 0.00 C ATOM 24 OG SER A 3 33.361 73.894 22.244 1.00 0.00 O ATOM 0 H SER A 3 34.770 74.307 26.282 1.00 0.00 H new ATOM 0 HA SER A 3 32.444 73.991 24.566 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.469 75.238 23.340 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.132 73.618 23.256 1.00 0.00 H new ATOM 0 HG SER A 3 33.822 74.127 21.411 1.00 0.00 H new ATOM 30 N GLY A 4 32.793 71.517 24.672 1.00 0.00 N ATOM 31 CA GLY A 4 32.919 70.098 24.949 1.00 0.00 C ATOM 32 C GLY A 4 33.225 69.289 23.704 1.00 0.00 C ATOM 33 O GLY A 4 33.781 69.811 22.738 1.00 0.00 O ATOM 0 H GLY A 4 31.924 71.788 24.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.710 69.943 25.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.994 69.735 25.396 1.00 0.00 H new ATOM 37 N SER A 5 32.863 68.011 23.727 1.00 0.00 N ATOM 38 CA SER A 5 33.107 67.126 22.593 1.00 0.00 C ATOM 39 C SER A 5 32.448 65.768 22.812 1.00 0.00 C ATOM 40 O SER A 5 32.081 65.417 23.933 1.00 0.00 O ATOM 41 CB SER A 5 34.611 66.947 22.374 1.00 0.00 C ATOM 42 OG SER A 5 34.896 66.644 21.020 1.00 0.00 O ATOM 0 H SER A 5 32.400 67.564 24.518 1.00 0.00 H new ATOM 0 HA SER A 5 32.669 67.583 21.706 1.00 0.00 H new ATOM 0 HB2 SER A 5 35.135 67.858 22.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.982 66.147 23.015 1.00 0.00 H new ATOM 0 HG SER A 5 35.863 66.536 20.906 1.00 0.00 H new ATOM 48 N SER A 6 32.300 65.008 21.732 1.00 0.00 N ATOM 49 CA SER A 6 31.682 63.690 21.803 1.00 0.00 C ATOM 50 C SER A 6 32.300 62.743 20.778 1.00 0.00 C ATOM 51 O SER A 6 33.154 63.140 19.987 1.00 0.00 O ATOM 52 CB SER A 6 30.174 63.797 21.571 1.00 0.00 C ATOM 53 OG SER A 6 29.568 64.643 22.533 1.00 0.00 O ATOM 0 H SER A 6 32.600 65.283 20.797 1.00 0.00 H new ATOM 0 HA SER A 6 31.861 63.286 22.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.984 64.185 20.570 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.724 62.805 21.620 1.00 0.00 H new ATOM 0 HG SER A 6 28.605 64.696 22.362 1.00 0.00 H new ATOM 59 N GLY A 7 31.860 61.489 20.799 1.00 0.00 N ATOM 60 CA GLY A 7 32.379 60.505 19.868 1.00 0.00 C ATOM 61 C GLY A 7 31.351 59.454 19.501 1.00 0.00 C ATOM 62 O GLY A 7 30.211 59.503 19.964 1.00 0.00 O ATOM 0 H GLY A 7 31.153 61.137 21.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 32.717 61.009 18.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 33.250 60.019 20.307 1.00 0.00 H new ATOM 66 N MET A 8 31.752 58.501 18.665 1.00 0.00 N ATOM 67 CA MET A 8 30.855 57.434 18.236 1.00 0.00 C ATOM 68 C MET A 8 31.606 56.391 17.415 1.00 0.00 C ATOM 69 O MET A 8 32.764 56.592 17.049 1.00 0.00 O ATOM 70 CB MET A 8 29.699 58.009 17.416 1.00 0.00 C ATOM 71 CG MET A 8 28.453 57.139 17.430 1.00 0.00 C ATOM 72 SD MET A 8 26.949 58.074 17.088 1.00 0.00 S ATOM 73 CE MET A 8 26.332 57.208 15.647 1.00 0.00 C ATOM 0 H MET A 8 32.691 58.446 18.272 1.00 0.00 H new ATOM 0 HA MET A 8 30.454 56.950 19.127 1.00 0.00 H new ATOM 0 HB2 MET A 8 29.447 58.997 17.802 1.00 0.00 H new ATOM 0 HB3 MET A 8 30.027 58.143 16.385 1.00 0.00 H new ATOM 0 HG2 MET A 8 28.560 56.346 16.689 1.00 0.00 H new ATOM 0 HG3 MET A 8 28.363 56.656 18.403 1.00 0.00 H new ATOM 0 HE1 MET A 8 25.402 57.670 15.315 1.00 0.00 H new ATOM 0 HE2 MET A 8 27.070 57.262 14.847 1.00 0.00 H new ATOM 0 HE3 MET A 8 26.148 56.164 15.901 1.00 0.00 H new ATOM 83 N GLU A 9 30.940 55.276 17.130 1.00 0.00 N ATOM 84 CA GLU A 9 31.546 54.202 16.353 1.00 0.00 C ATOM 85 C GLU A 9 30.531 53.100 16.063 1.00 0.00 C ATOM 86 O GLU A 9 29.637 52.836 16.869 1.00 0.00 O ATOM 87 CB GLU A 9 32.748 53.619 17.099 1.00 0.00 C ATOM 88 CG GLU A 9 33.721 52.875 16.199 1.00 0.00 C ATOM 89 CD GLU A 9 33.150 51.573 15.673 1.00 0.00 C ATOM 90 OE1 GLU A 9 32.385 50.918 16.412 1.00 0.00 O ATOM 91 OE2 GLU A 9 33.468 51.208 14.522 1.00 0.00 O ATOM 0 H GLU A 9 29.981 55.094 17.426 1.00 0.00 H new ATOM 0 HA GLU A 9 31.883 54.620 15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 9 33.278 54.427 17.604 1.00 0.00 H new ATOM 0 HB3 GLU A 9 32.390 52.940 17.873 1.00 0.00 H new ATOM 0 HG2 GLU A 9 33.994 53.514 15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 9 34.637 52.668 16.753 1.00 0.00 H new ATOM 98 N LEU A 10 30.674 52.461 14.907 1.00 0.00 N ATOM 99 CA LEU A 10 29.769 51.388 14.509 1.00 0.00 C ATOM 100 C LEU A 10 30.272 50.692 13.249 1.00 0.00 C ATOM 101 O LEU A 10 30.613 51.342 12.260 1.00 0.00 O ATOM 102 CB LEU A 10 28.363 51.941 14.273 1.00 0.00 C ATOM 103 CG LEU A 10 28.254 53.096 13.277 1.00 0.00 C ATOM 104 CD1 LEU A 10 26.860 53.148 12.670 1.00 0.00 C ATOM 105 CD2 LEU A 10 28.593 54.417 13.953 1.00 0.00 C ATOM 0 H LEU A 10 31.408 52.667 14.229 1.00 0.00 H new ATOM 0 HA LEU A 10 29.734 50.657 15.317 1.00 0.00 H new ATOM 0 HB2 LEU A 10 27.728 51.127 13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 10 27.960 52.273 15.230 1.00 0.00 H new ATOM 0 HG LEU A 10 28.971 52.927 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 10 26.801 53.976 11.964 1.00 0.00 H new ATOM 0 HD12 LEU A 10 26.654 52.212 12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 10 26.124 53.293 13.461 1.00 0.00 H new ATOM 0 HD21 LEU A 10 28.510 55.228 13.229 1.00 0.00 H new ATOM 0 HD22 LEU A 10 27.900 54.593 14.776 1.00 0.00 H new ATOM 0 HD23 LEU A 10 29.612 54.377 14.339 1.00 0.00 H new ATOM 117 N THR A 11 30.315 49.363 13.289 1.00 0.00 N ATOM 118 CA THR A 11 30.775 48.578 12.151 1.00 0.00 C ATOM 119 C THR A 11 30.341 47.122 12.276 1.00 0.00 C ATOM 120 O THR A 11 30.208 46.596 13.382 1.00 0.00 O ATOM 121 CB THR A 11 32.308 48.635 12.012 1.00 0.00 C ATOM 122 OG1 THR A 11 32.754 49.995 12.066 1.00 0.00 O ATOM 123 CG2 THR A 11 32.756 48.001 10.704 1.00 0.00 C ATOM 0 H THR A 11 30.036 48.808 14.098 1.00 0.00 H new ATOM 0 HA THR A 11 30.321 49.015 11.262 1.00 0.00 H new ATOM 0 HB THR A 11 32.747 48.076 12.838 1.00 0.00 H new ATOM 0 HG1 THR A 11 32.968 50.233 12.992 1.00 0.00 H new ATOM 0 HG21 THR A 11 33.842 48.053 10.628 1.00 0.00 H new ATOM 0 HG22 THR A 11 32.440 46.958 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 11 32.308 48.537 9.868 1.00 0.00 H new ATOM 131 N PHE A 12 30.122 46.474 11.137 1.00 0.00 N ATOM 132 CA PHE A 12 29.703 45.078 11.119 1.00 0.00 C ATOM 133 C PHE A 12 29.682 44.534 9.694 1.00 0.00 C ATOM 134 O PHE A 12 29.323 45.242 8.754 1.00 0.00 O ATOM 135 CB PHE A 12 28.319 44.931 11.755 1.00 0.00 C ATOM 136 CG PHE A 12 27.279 45.822 11.138 1.00 0.00 C ATOM 137 CD1 PHE A 12 26.601 45.430 9.995 1.00 0.00 C ATOM 138 CD2 PHE A 12 26.979 47.052 11.702 1.00 0.00 C ATOM 139 CE1 PHE A 12 25.643 46.247 9.426 1.00 0.00 C ATOM 140 CE2 PHE A 12 26.022 47.873 11.137 1.00 0.00 C ATOM 141 CZ PHE A 12 25.354 47.471 9.997 1.00 0.00 C ATOM 0 H PHE A 12 30.228 46.894 10.214 1.00 0.00 H new ATOM 0 HA PHE A 12 30.424 44.501 11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 12 27.996 43.894 11.667 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.391 45.153 12.820 1.00 0.00 H new ATOM 0 HD1 PHE A 12 26.824 44.475 9.544 1.00 0.00 H new ATOM 0 HD2 PHE A 12 27.499 47.372 12.593 1.00 0.00 H new ATOM 0 HE1 PHE A 12 25.121 45.929 8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 12 25.796 48.829 11.587 1.00 0.00 H new ATOM 0 HZ PHE A 12 24.607 48.112 9.553 1.00 0.00 H new ATOM 151 N ASN A 13 30.069 43.272 9.542 1.00 0.00 N ATOM 152 CA ASN A 13 30.095 42.633 8.232 1.00 0.00 C ATOM 153 C ASN A 13 30.301 41.127 8.365 1.00 0.00 C ATOM 154 O ASN A 13 31.305 40.675 8.913 1.00 0.00 O ATOM 155 CB ASN A 13 31.205 43.236 7.369 1.00 0.00 C ATOM 156 CG ASN A 13 31.228 42.656 5.968 1.00 0.00 C ATOM 157 OD1 ASN A 13 32.157 41.938 5.596 1.00 0.00 O ATOM 158 ND2 ASN A 13 30.204 42.966 5.182 1.00 0.00 N ATOM 0 H ASN A 13 30.369 42.672 10.310 1.00 0.00 H new ATOM 0 HA ASN A 13 29.133 42.809 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 13 31.069 44.316 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 13 32.169 43.061 7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 13 30.166 42.606 4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 13 29.456 43.564 5.532 1.00 0.00 H new ATOM 165 N GLN A 14 29.343 40.357 7.858 1.00 0.00 N ATOM 166 CA GLN A 14 29.420 38.902 7.921 1.00 0.00 C ATOM 167 C GLN A 14 28.812 38.271 6.673 1.00 0.00 C ATOM 168 O GLN A 14 28.276 38.967 5.811 1.00 0.00 O ATOM 169 CB GLN A 14 28.701 38.386 9.169 1.00 0.00 C ATOM 170 CG GLN A 14 29.401 38.750 10.469 1.00 0.00 C ATOM 171 CD GLN A 14 28.597 38.363 11.693 1.00 0.00 C ATOM 172 OE1 GLN A 14 28.193 39.219 12.481 1.00 0.00 O ATOM 173 NE2 GLN A 14 28.359 37.067 11.860 1.00 0.00 N ATOM 0 H GLN A 14 28.506 40.716 7.400 1.00 0.00 H new ATOM 0 HA GLN A 14 30.472 38.621 7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 14 27.688 38.788 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.613 37.301 9.105 1.00 0.00 H new ATOM 0 HG2 GLN A 14 30.372 38.255 10.505 1.00 0.00 H new ATOM 0 HG3 GLN A 14 29.589 39.823 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 14 28.713 36.392 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 14 27.822 36.747 12.666 1.00 0.00 H new ATOM 182 N ALA A 15 28.901 36.948 6.582 1.00 0.00 N ATOM 183 CA ALA A 15 28.358 36.222 5.440 1.00 0.00 C ATOM 184 C ALA A 15 28.437 34.715 5.659 1.00 0.00 C ATOM 185 O ALA A 15 29.515 34.167 5.888 1.00 0.00 O ATOM 186 CB ALA A 15 29.097 36.612 4.168 1.00 0.00 C ATOM 0 H ALA A 15 29.344 36.357 7.285 1.00 0.00 H new ATOM 0 HA ALA A 15 27.307 36.492 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.682 36.063 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 28.985 37.682 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 15 30.155 36.371 4.273 1.00 0.00 H new ATOM 192 N ALA A 16 27.288 34.051 5.589 1.00 0.00 N ATOM 193 CA ALA A 16 27.228 32.607 5.778 1.00 0.00 C ATOM 194 C ALA A 16 25.889 32.047 5.310 1.00 0.00 C ATOM 195 O ALA A 16 24.914 32.784 5.163 1.00 0.00 O ATOM 196 CB ALA A 16 27.468 32.256 7.239 1.00 0.00 C ATOM 0 H ALA A 16 26.386 34.490 5.403 1.00 0.00 H new ATOM 0 HA ALA A 16 28.013 32.153 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.420 31.174 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 16 28.452 32.614 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.704 32.728 7.857 1.00 0.00 H new ATOM 202 N LYS A 17 25.848 30.740 5.078 1.00 0.00 N ATOM 203 CA LYS A 17 24.629 30.080 4.627 1.00 0.00 C ATOM 204 C LYS A 17 24.284 28.899 5.529 1.00 0.00 C ATOM 205 O LYS A 17 24.976 27.882 5.528 1.00 0.00 O ATOM 206 CB LYS A 17 24.787 29.603 3.182 1.00 0.00 C ATOM 207 CG LYS A 17 24.941 30.734 2.181 1.00 0.00 C ATOM 208 CD LYS A 17 25.580 30.253 0.889 1.00 0.00 C ATOM 209 CE LYS A 17 27.098 30.328 0.955 1.00 0.00 C ATOM 210 NZ LYS A 17 27.729 29.944 -0.338 1.00 0.00 N ATOM 0 H LYS A 17 26.646 30.116 5.195 1.00 0.00 H new ATOM 0 HA LYS A 17 23.815 30.803 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.658 28.951 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.918 29.004 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 17 23.964 31.166 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.550 31.526 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.274 29.226 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.221 30.859 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 17 27.400 31.341 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 17 27.460 29.670 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 28.763 30.008 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.461 28.968 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.404 30.587 -1.088 1.00 0.00 H new ATOM 224 N GLY A 18 23.207 29.041 6.297 1.00 0.00 N ATOM 225 CA GLY A 18 22.789 27.977 7.191 1.00 0.00 C ATOM 226 C GLY A 18 21.363 28.153 7.674 1.00 0.00 C ATOM 227 O GLY A 18 21.118 28.819 8.680 1.00 0.00 O ATOM 0 H GLY A 18 22.617 29.873 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 18 22.880 27.019 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 18 23.459 27.944 8.050 1.00 0.00 H new ATOM 231 N VAL A 19 20.419 27.555 6.955 1.00 0.00 N ATOM 232 CA VAL A 19 19.009 27.649 7.315 1.00 0.00 C ATOM 233 C VAL A 19 18.279 26.343 7.024 1.00 0.00 C ATOM 234 O VAL A 19 18.785 25.485 6.302 1.00 0.00 O ATOM 235 CB VAL A 19 18.311 28.794 6.557 1.00 0.00 C ATOM 236 CG1 VAL A 19 18.938 30.133 6.917 1.00 0.00 C ATOM 237 CG2 VAL A 19 18.372 28.554 5.056 1.00 0.00 C ATOM 0 H VAL A 19 20.605 27.000 6.120 1.00 0.00 H new ATOM 0 HA VAL A 19 18.969 27.854 8.385 1.00 0.00 H new ATOM 0 HB VAL A 19 17.263 28.818 6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.432 30.930 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.837 30.306 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 19 19.994 30.124 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.874 29.373 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 19 19.413 28.502 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.872 27.615 4.817 1.00 0.00 H new ATOM 247 N ASN A 20 17.085 26.199 7.590 1.00 0.00 N ATOM 248 CA ASN A 20 16.285 24.997 7.392 1.00 0.00 C ATOM 249 C ASN A 20 15.177 25.243 6.371 1.00 0.00 C ATOM 250 O ASN A 20 14.935 24.418 5.491 1.00 0.00 O ATOM 251 CB ASN A 20 15.677 24.538 8.719 1.00 0.00 C ATOM 252 CG ASN A 20 15.283 25.702 9.607 1.00 0.00 C ATOM 253 OD1 ASN A 20 14.228 26.309 9.422 1.00 0.00 O ATOM 254 ND2 ASN A 20 16.131 26.019 10.579 1.00 0.00 N ATOM 0 H ASN A 20 16.651 26.901 8.190 1.00 0.00 H new ATOM 0 HA ASN A 20 16.940 24.214 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.799 23.923 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.394 23.909 9.246 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.919 26.793 11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.994 25.488 10.696 1.00 0.00 H new ATOM 261 N LYS A 21 14.508 26.384 6.496 1.00 0.00 N ATOM 262 CA LYS A 21 13.428 26.742 5.585 1.00 0.00 C ATOM 263 C LYS A 21 13.843 26.519 4.134 1.00 0.00 C ATOM 264 O LYS A 21 15.013 26.269 3.846 1.00 0.00 O ATOM 265 CB LYS A 21 13.021 28.202 5.791 1.00 0.00 C ATOM 266 CG LYS A 21 11.603 28.508 5.344 1.00 0.00 C ATOM 267 CD LYS A 21 11.019 29.687 6.104 1.00 0.00 C ATOM 268 CE LYS A 21 10.649 29.303 7.529 1.00 0.00 C ATOM 269 NZ LYS A 21 10.128 30.466 8.299 1.00 0.00 N ATOM 0 H LYS A 21 14.695 27.077 7.220 1.00 0.00 H new ATOM 0 HA LYS A 21 12.575 26.099 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.122 28.453 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.712 28.843 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.596 28.724 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.976 27.630 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.741 30.504 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.135 30.055 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.897 28.514 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.525 28.896 8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.887 30.163 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.855 31.209 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.278 30.839 7.831 1.00 0.00 H new ATOM 283 N GLU A 22 12.878 26.612 3.226 1.00 0.00 N ATOM 284 CA GLU A 22 13.145 26.421 1.805 1.00 0.00 C ATOM 285 C GLU A 22 12.916 27.715 1.029 1.00 0.00 C ATOM 286 O GLU A 22 12.143 28.576 1.450 1.00 0.00 O ATOM 287 CB GLU A 22 12.256 25.311 1.240 1.00 0.00 C ATOM 288 CG GLU A 22 12.448 23.969 1.927 1.00 0.00 C ATOM 289 CD GLU A 22 13.719 23.267 1.490 1.00 0.00 C ATOM 290 OE1 GLU A 22 14.803 23.876 1.606 1.00 0.00 O ATOM 291 OE2 GLU A 22 13.628 22.108 1.033 1.00 0.00 O ATOM 0 H GLU A 22 11.904 26.818 3.448 1.00 0.00 H new ATOM 0 HA GLU A 22 14.190 26.131 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.212 25.611 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.463 25.198 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.472 24.118 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.592 23.329 1.713 1.00 0.00 H new ATOM 298 N PHE A 23 13.595 27.846 -0.106 1.00 0.00 N ATOM 299 CA PHE A 23 13.468 29.035 -0.940 1.00 0.00 C ATOM 300 C PHE A 23 13.194 28.654 -2.392 1.00 0.00 C ATOM 301 O PHE A 23 13.215 27.476 -2.752 1.00 0.00 O ATOM 302 CB PHE A 23 14.739 29.882 -0.855 1.00 0.00 C ATOM 303 CG PHE A 23 14.790 30.765 0.359 1.00 0.00 C ATOM 304 CD1 PHE A 23 15.100 30.238 1.603 1.00 0.00 C ATOM 305 CD2 PHE A 23 14.530 32.122 0.257 1.00 0.00 C ATOM 306 CE1 PHE A 23 15.147 31.048 2.722 1.00 0.00 C ATOM 307 CE2 PHE A 23 14.576 32.937 1.372 1.00 0.00 C ATOM 308 CZ PHE A 23 14.886 32.400 2.606 1.00 0.00 C ATOM 0 H PHE A 23 14.239 27.143 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 23 12.625 29.619 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.606 29.222 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.814 30.502 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 23 15.307 29.182 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 23 14.288 32.548 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 23 15.387 30.625 3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 23 14.370 33.993 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.924 33.035 3.478 1.00 0.00 H new ATOM 318 N THR A 24 12.936 29.659 -3.223 1.00 0.00 N ATOM 319 CA THR A 24 12.657 29.431 -4.635 1.00 0.00 C ATOM 320 C THR A 24 13.480 28.268 -5.178 1.00 0.00 C ATOM 321 O THR A 24 14.686 28.187 -4.947 1.00 0.00 O ATOM 322 CB THR A 24 12.948 30.688 -5.476 1.00 0.00 C ATOM 323 OG1 THR A 24 14.286 31.139 -5.235 1.00 0.00 O ATOM 324 CG2 THR A 24 11.965 31.801 -5.145 1.00 0.00 C ATOM 0 H THR A 24 12.915 30.639 -2.942 1.00 0.00 H new ATOM 0 HA THR A 24 11.597 29.189 -4.712 1.00 0.00 H new ATOM 0 HB THR A 24 12.836 30.428 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.833 30.388 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.191 32.678 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.950 31.465 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.049 32.059 -4.089 1.00 0.00 H new ATOM 332 N VAL A 25 12.820 27.369 -5.902 1.00 0.00 N ATOM 333 CA VAL A 25 13.492 26.211 -6.479 1.00 0.00 C ATOM 334 C VAL A 25 14.900 26.567 -6.942 1.00 0.00 C ATOM 335 O VAL A 25 15.126 27.633 -7.512 1.00 0.00 O ATOM 336 CB VAL A 25 12.700 25.640 -7.671 1.00 0.00 C ATOM 337 CG1 VAL A 25 12.703 26.621 -8.833 1.00 0.00 C ATOM 338 CG2 VAL A 25 13.273 24.296 -8.095 1.00 0.00 C ATOM 0 H VAL A 25 11.821 27.421 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 25 13.551 25.455 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 25 11.667 25.487 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.139 26.201 -9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.243 27.558 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.729 26.809 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.702 23.907 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.315 24.421 -8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.213 23.596 -7.262 1.00 0.00 H new ATOM 348 N ASN A 26 15.844 25.665 -6.694 1.00 0.00 N ATOM 349 CA ASN A 26 17.232 25.883 -7.085 1.00 0.00 C ATOM 350 C ASN A 26 17.646 24.912 -8.187 1.00 0.00 C ATOM 351 O ASN A 26 16.911 23.979 -8.514 1.00 0.00 O ATOM 352 CB ASN A 26 18.156 25.724 -5.876 1.00 0.00 C ATOM 353 CG ASN A 26 18.025 26.872 -4.893 1.00 0.00 C ATOM 354 OD1 ASN A 26 17.440 27.908 -5.207 1.00 0.00 O ATOM 355 ND2 ASN A 26 18.573 26.691 -3.697 1.00 0.00 N ATOM 0 H ASN A 26 15.673 24.776 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 26 17.319 26.899 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 26 17.928 24.787 -5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 26 19.189 25.658 -6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 26 18.519 27.428 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 26 19.048 25.815 -3.481 1.00 0.00 H new ATOM 362 N ILE A 27 18.825 25.139 -8.755 1.00 0.00 N ATOM 363 CA ILE A 27 19.337 24.283 -9.818 1.00 0.00 C ATOM 364 C ILE A 27 18.904 22.835 -9.615 1.00 0.00 C ATOM 365 O ILE A 27 19.022 22.289 -8.518 1.00 0.00 O ATOM 366 CB ILE A 27 20.874 24.341 -9.896 1.00 0.00 C ATOM 367 CG1 ILE A 27 21.338 25.769 -10.194 1.00 0.00 C ATOM 368 CG2 ILE A 27 21.387 23.380 -10.958 1.00 0.00 C ATOM 369 CD1 ILE A 27 21.654 26.572 -8.952 1.00 0.00 C ATOM 0 H ILE A 27 19.444 25.908 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 27 18.919 24.657 -10.753 1.00 0.00 H new ATOM 0 HB ILE A 27 21.284 24.039 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 27 22.224 25.730 -10.827 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.563 26.283 -10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 27 22.475 23.432 -11.001 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.082 22.364 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 27 20.972 23.654 -11.928 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.976 27.573 -9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 27 20.763 26.642 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 27 22.451 26.080 -8.394 1.00 0.00 H new ATOM 381 N MET A 28 18.404 22.218 -10.681 1.00 0.00 N ATOM 382 CA MET A 28 17.956 20.832 -10.620 1.00 0.00 C ATOM 383 C MET A 28 18.576 20.010 -11.746 1.00 0.00 C ATOM 384 O MET A 28 18.322 20.263 -12.924 1.00 0.00 O ATOM 385 CB MET A 28 16.430 20.762 -10.703 1.00 0.00 C ATOM 386 CG MET A 28 15.726 21.476 -9.561 1.00 0.00 C ATOM 387 SD MET A 28 16.455 21.103 -7.954 1.00 0.00 S ATOM 388 CE MET A 28 16.262 19.323 -7.901 1.00 0.00 C ATOM 0 H MET A 28 18.299 22.656 -11.596 1.00 0.00 H new ATOM 0 HA MET A 28 18.280 20.414 -9.667 1.00 0.00 H new ATOM 0 HB2 MET A 28 16.105 21.198 -11.648 1.00 0.00 H new ATOM 0 HB3 MET A 28 16.122 19.716 -10.712 1.00 0.00 H new ATOM 0 HG2 MET A 28 15.764 22.552 -9.732 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.674 21.191 -9.553 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.183 18.996 -6.864 1.00 0.00 H new ATOM 0 HE2 MET A 28 15.359 19.039 -8.441 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.127 18.849 -8.366 1.00 0.00 H new ATOM 398 N ASP A 29 19.390 19.028 -11.376 1.00 0.00 N ATOM 399 CA ASP A 29 20.046 18.169 -12.355 1.00 0.00 C ATOM 400 C ASP A 29 19.886 16.698 -11.982 1.00 0.00 C ATOM 401 O ASP A 29 19.343 16.370 -10.927 1.00 0.00 O ATOM 402 CB ASP A 29 21.530 18.522 -12.462 1.00 0.00 C ATOM 403 CG ASP A 29 22.158 18.006 -13.742 1.00 0.00 C ATOM 404 OD1 ASP A 29 21.897 18.597 -14.811 1.00 0.00 O ATOM 405 OD2 ASP A 29 22.910 17.011 -13.674 1.00 0.00 O ATOM 0 H ASP A 29 19.612 18.807 -10.405 1.00 0.00 H new ATOM 0 HA ASP A 29 19.571 18.334 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.647 19.605 -12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.062 18.106 -11.606 1.00 0.00 H new ATOM 410 N THR A 30 20.363 15.816 -12.855 1.00 0.00 N ATOM 411 CA THR A 30 20.271 14.381 -12.619 1.00 0.00 C ATOM 412 C THR A 30 21.337 13.917 -11.633 1.00 0.00 C ATOM 413 O THR A 30 22.491 14.340 -11.706 1.00 0.00 O ATOM 414 CB THR A 30 20.418 13.585 -13.929 1.00 0.00 C ATOM 415 OG1 THR A 30 19.536 14.115 -14.925 1.00 0.00 O ATOM 416 CG2 THR A 30 20.112 12.112 -13.705 1.00 0.00 C ATOM 0 H THR A 30 20.817 16.071 -13.732 1.00 0.00 H new ATOM 0 HA THR A 30 19.283 14.193 -12.198 1.00 0.00 H new ATOM 0 HB THR A 30 21.449 13.677 -14.271 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.636 13.605 -15.756 1.00 0.00 H new ATOM 0 HG21 THR A 30 20.223 11.570 -14.644 1.00 0.00 H new ATOM 0 HG22 THR A 30 20.804 11.705 -12.968 1.00 0.00 H new ATOM 0 HG23 THR A 30 19.090 12.004 -13.342 1.00 0.00 H new ATOM 424 N CYS A 31 20.944 13.044 -10.711 1.00 0.00 N ATOM 425 CA CYS A 31 21.866 12.521 -9.710 1.00 0.00 C ATOM 426 C CYS A 31 23.143 12.001 -10.365 1.00 0.00 C ATOM 427 O CYS A 31 23.176 11.751 -11.570 1.00 0.00 O ATOM 428 CB CYS A 31 21.200 11.402 -8.908 1.00 0.00 C ATOM 429 SG CYS A 31 22.208 10.775 -7.527 1.00 0.00 S ATOM 0 H CYS A 31 19.993 12.684 -10.637 1.00 0.00 H new ATOM 0 HA CYS A 31 22.130 13.335 -9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 31 20.251 11.767 -8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 31 20.970 10.575 -9.580 1.00 0.00 H new ATOM 434 N GLU A 32 24.190 11.841 -9.563 1.00 0.00 N ATOM 435 CA GLU A 32 25.469 11.352 -10.065 1.00 0.00 C ATOM 436 C GLU A 32 25.825 10.010 -9.431 1.00 0.00 C ATOM 437 O GLU A 32 26.488 9.177 -10.048 1.00 0.00 O ATOM 438 CB GLU A 32 26.576 12.370 -9.784 1.00 0.00 C ATOM 439 CG GLU A 32 26.288 13.752 -10.346 1.00 0.00 C ATOM 440 CD GLU A 32 27.551 14.541 -10.630 1.00 0.00 C ATOM 441 OE1 GLU A 32 28.333 14.116 -11.506 1.00 0.00 O ATOM 442 OE2 GLU A 32 27.757 15.585 -9.975 1.00 0.00 O ATOM 0 H GLU A 32 24.178 12.043 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 32 25.378 11.213 -11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 32 26.721 12.448 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 32 27.511 12.003 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.711 13.653 -11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.669 14.306 -9.640 1.00 0.00 H new ATOM 449 N ARG A 33 25.379 9.809 -8.195 1.00 0.00 N ATOM 450 CA ARG A 33 25.651 8.570 -7.477 1.00 0.00 C ATOM 451 C ARG A 33 24.867 7.408 -8.080 1.00 0.00 C ATOM 452 O ARG A 33 25.380 6.295 -8.200 1.00 0.00 O ATOM 453 CB ARG A 33 25.296 8.725 -5.997 1.00 0.00 C ATOM 454 CG ARG A 33 26.103 7.822 -5.079 1.00 0.00 C ATOM 455 CD ARG A 33 25.408 7.623 -3.741 1.00 0.00 C ATOM 456 NE ARG A 33 26.158 6.731 -2.861 1.00 0.00 N ATOM 457 CZ ARG A 33 27.157 7.135 -2.084 1.00 0.00 C ATOM 458 NH1 ARG A 33 27.523 8.409 -2.077 1.00 0.00 N ATOM 459 NH2 ARG A 33 27.792 6.263 -1.311 1.00 0.00 N ATOM 0 H ARG A 33 24.828 10.488 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 33 26.715 8.353 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.452 9.762 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.236 8.512 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.254 6.855 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.090 8.255 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.279 8.589 -3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.412 7.214 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 33 25.901 5.744 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.037 9.082 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.290 8.716 -1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.513 5.282 -1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 33 28.559 6.574 -0.715 1.00 0.00 H new ATOM 473 N CYS A 34 23.622 7.674 -8.458 1.00 0.00 N ATOM 474 CA CYS A 34 22.766 6.652 -9.048 1.00 0.00 C ATOM 475 C CYS A 34 22.562 6.907 -10.538 1.00 0.00 C ATOM 476 O CYS A 34 22.046 6.054 -11.259 1.00 0.00 O ATOM 477 CB CYS A 34 21.412 6.617 -8.335 1.00 0.00 C ATOM 478 SG CYS A 34 20.426 8.135 -8.537 1.00 0.00 S ATOM 0 H CYS A 34 23.183 8.590 -8.366 1.00 0.00 H new ATOM 0 HA CYS A 34 23.258 5.687 -8.927 1.00 0.00 H new ATOM 0 HB2 CYS A 34 20.837 5.771 -8.711 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.578 6.443 -7.272 1.00 0.00 H new ATOM 483 N ASN A 35 22.972 8.087 -10.993 1.00 0.00 N ATOM 484 CA ASN A 35 22.835 8.454 -12.397 1.00 0.00 C ATOM 485 C ASN A 35 21.366 8.503 -12.805 1.00 0.00 C ATOM 486 O ASN A 35 21.004 8.100 -13.910 1.00 0.00 O ATOM 487 CB ASN A 35 23.589 7.461 -13.283 1.00 0.00 C ATOM 488 CG ASN A 35 25.094 7.579 -13.133 1.00 0.00 C ATOM 489 OD1 ASN A 35 25.764 6.633 -12.720 1.00 0.00 O ATOM 490 ND2 ASN A 35 25.631 8.746 -13.469 1.00 0.00 N ATOM 0 H ASN A 35 23.402 8.805 -10.409 1.00 0.00 H new ATOM 0 HA ASN A 35 23.265 9.447 -12.530 1.00 0.00 H new ATOM 0 HB2 ASN A 35 23.280 6.446 -13.031 1.00 0.00 H new ATOM 0 HB3 ASN A 35 23.316 7.628 -14.325 1.00 0.00 H new ATOM 0 HD21 ASN A 35 26.638 8.886 -13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 35 25.036 9.503 -13.807 1.00 0.00 H new ATOM 497 N GLY A 36 20.523 8.999 -11.905 1.00 0.00 N ATOM 498 CA GLY A 36 19.103 9.092 -12.190 1.00 0.00 C ATOM 499 C GLY A 36 18.412 7.744 -12.139 1.00 0.00 C ATOM 500 O GLY A 36 17.431 7.512 -12.846 1.00 0.00 O ATOM 0 H GLY A 36 20.798 9.338 -10.983 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.635 9.764 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 36 18.962 9.532 -13.177 1.00 0.00 H new ATOM 504 N LYS A 37 18.925 6.850 -11.300 1.00 0.00 N ATOM 505 CA LYS A 37 18.352 5.516 -11.158 1.00 0.00 C ATOM 506 C LYS A 37 17.481 5.428 -9.909 1.00 0.00 C ATOM 507 O LYS A 37 16.324 5.015 -9.974 1.00 0.00 O ATOM 508 CB LYS A 37 19.463 4.466 -11.094 1.00 0.00 C ATOM 509 CG LYS A 37 20.251 4.335 -12.386 1.00 0.00 C ATOM 510 CD LYS A 37 19.489 3.532 -13.426 1.00 0.00 C ATOM 511 CE LYS A 37 19.529 2.043 -13.121 1.00 0.00 C ATOM 512 NZ LYS A 37 20.702 1.379 -13.754 1.00 0.00 N ATOM 0 H LYS A 37 19.737 7.025 -10.708 1.00 0.00 H new ATOM 0 HA LYS A 37 17.727 5.321 -12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.147 4.722 -10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.024 3.499 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.471 5.327 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.207 3.853 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.453 3.870 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.916 3.714 -14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.566 1.894 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.611 1.575 -13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.694 0.365 -13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.654 1.499 -14.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.579 1.808 -13.396 1.00 0.00 H new ATOM 526 N GLY A 38 18.046 5.821 -8.771 1.00 0.00 N ATOM 527 CA GLY A 38 17.306 5.779 -7.523 1.00 0.00 C ATOM 528 C GLY A 38 17.812 4.702 -6.584 1.00 0.00 C ATOM 529 O GLY A 38 17.078 4.228 -5.719 1.00 0.00 O ATOM 0 H GLY A 38 19.002 6.167 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.376 6.749 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.251 5.605 -7.735 1.00 0.00 H new ATOM 533 N ASN A 39 19.072 4.313 -6.757 1.00 0.00 N ATOM 534 CA ASN A 39 19.675 3.282 -5.919 1.00 0.00 C ATOM 535 C ASN A 39 21.195 3.415 -5.903 1.00 0.00 C ATOM 536 O ASN A 39 21.786 4.001 -6.809 1.00 0.00 O ATOM 537 CB ASN A 39 19.279 1.892 -6.420 1.00 0.00 C ATOM 538 CG ASN A 39 19.988 1.517 -7.707 1.00 0.00 C ATOM 539 OD1 ASN A 39 19.491 1.779 -8.802 1.00 0.00 O ATOM 540 ND2 ASN A 39 21.158 0.901 -7.579 1.00 0.00 N ATOM 0 H ASN A 39 19.694 4.696 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 39 19.305 3.413 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 39 19.510 1.153 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.201 1.860 -6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.683 0.625 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 39 21.532 0.704 -6.651 1.00 0.00 H new ATOM 547 N GLU A 40 21.820 2.867 -4.866 1.00 0.00 N ATOM 548 CA GLU A 40 23.271 2.925 -4.732 1.00 0.00 C ATOM 549 C GLU A 40 23.953 2.184 -5.878 1.00 0.00 C ATOM 550 O GLU A 40 23.500 1.130 -6.327 1.00 0.00 O ATOM 551 CB GLU A 40 23.706 2.326 -3.392 1.00 0.00 C ATOM 552 CG GLU A 40 23.441 3.236 -2.204 1.00 0.00 C ATOM 553 CD GLU A 40 22.059 3.036 -1.614 1.00 0.00 C ATOM 554 OE1 GLU A 40 21.298 2.205 -2.153 1.00 0.00 O ATOM 555 OE2 GLU A 40 21.737 3.711 -0.614 1.00 0.00 O ATOM 0 H GLU A 40 21.345 2.378 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 40 23.572 3.972 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 40 23.184 1.382 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 24.771 2.098 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 24.191 3.051 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 40 23.553 4.275 -2.515 1.00 0.00 H new ATOM 562 N PRO A 41 25.069 2.747 -6.365 1.00 0.00 N ATOM 563 CA PRO A 41 25.838 2.157 -7.465 1.00 0.00 C ATOM 564 C PRO A 41 26.549 0.872 -7.052 1.00 0.00 C ATOM 565 O PRO A 41 27.372 0.341 -7.795 1.00 0.00 O ATOM 566 CB PRO A 41 26.858 3.246 -7.808 1.00 0.00 C ATOM 567 CG PRO A 41 27.011 4.031 -6.551 1.00 0.00 C ATOM 568 CD PRO A 41 25.666 4.002 -5.878 1.00 0.00 C ATOM 0 HA PRO A 41 25.200 1.872 -8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.808 2.814 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.507 3.874 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.778 3.596 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 41 27.318 5.055 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 41 25.760 4.008 -4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 41 25.061 4.867 -6.150 1.00 0.00 H new ATOM 576 N GLY A 42 26.223 0.378 -5.862 1.00 0.00 N ATOM 577 CA GLY A 42 26.840 -0.841 -5.371 1.00 0.00 C ATOM 578 C GLY A 42 25.831 -1.799 -4.768 1.00 0.00 C ATOM 579 O GLY A 42 26.197 -2.718 -4.035 1.00 0.00 O ATOM 0 H GLY A 42 25.543 0.799 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.362 -1.336 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.590 -0.589 -4.621 1.00 0.00 H new ATOM 583 N THR A 43 24.556 -1.584 -5.075 1.00 0.00 N ATOM 584 CA THR A 43 23.491 -2.433 -4.557 1.00 0.00 C ATOM 585 C THR A 43 22.863 -3.267 -5.667 1.00 0.00 C ATOM 586 O THR A 43 23.183 -3.096 -6.844 1.00 0.00 O ATOM 587 CB THR A 43 22.392 -1.600 -3.871 1.00 0.00 C ATOM 588 OG1 THR A 43 22.004 -0.510 -4.716 1.00 0.00 O ATOM 589 CG2 THR A 43 22.875 -1.062 -2.533 1.00 0.00 C ATOM 0 H THR A 43 24.236 -0.828 -5.680 1.00 0.00 H new ATOM 0 HA THR A 43 23.946 -3.097 -3.822 1.00 0.00 H new ATOM 0 HB THR A 43 21.533 -2.248 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.804 -0.047 -5.041 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.081 -0.477 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.142 -1.894 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 43 23.748 -0.429 -2.689 1.00 0.00 H new ATOM 597 N LYS A 44 21.965 -4.170 -5.287 1.00 0.00 N ATOM 598 CA LYS A 44 21.289 -5.030 -6.250 1.00 0.00 C ATOM 599 C LYS A 44 19.816 -4.653 -6.377 1.00 0.00 C ATOM 600 O LYS A 44 19.257 -3.993 -5.502 1.00 0.00 O ATOM 601 CB LYS A 44 21.417 -6.497 -5.833 1.00 0.00 C ATOM 602 CG LYS A 44 20.201 -7.337 -6.183 1.00 0.00 C ATOM 603 CD LYS A 44 20.450 -8.814 -5.924 1.00 0.00 C ATOM 604 CE LYS A 44 19.590 -9.690 -6.822 1.00 0.00 C ATOM 605 NZ LYS A 44 19.868 -11.138 -6.615 1.00 0.00 N ATOM 0 H LYS A 44 21.689 -4.325 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 44 21.766 -4.892 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 44 22.296 -6.927 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.585 -6.547 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 44 19.346 -7.003 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.945 -7.189 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 44 21.503 -9.042 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.237 -9.042 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.537 -9.490 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.772 -9.431 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.262 -11.701 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.867 -11.334 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.670 -11.392 -5.626 1.00 0.00 H new ATOM 619 N VAL A 45 19.193 -5.079 -7.471 1.00 0.00 N ATOM 620 CA VAL A 45 17.785 -4.788 -7.711 1.00 0.00 C ATOM 621 C VAL A 45 17.038 -6.033 -8.176 1.00 0.00 C ATOM 622 O VAL A 45 17.582 -6.856 -8.912 1.00 0.00 O ATOM 623 CB VAL A 45 17.612 -3.677 -8.763 1.00 0.00 C ATOM 624 CG1 VAL A 45 16.143 -3.318 -8.925 1.00 0.00 C ATOM 625 CG2 VAL A 45 18.430 -2.452 -8.383 1.00 0.00 C ATOM 0 H VAL A 45 19.641 -5.627 -8.205 1.00 0.00 H new ATOM 0 HA VAL A 45 17.367 -4.449 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 45 17.978 -4.048 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.041 -2.531 -9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.587 -4.198 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.747 -2.967 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 45 18.296 -1.677 -9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 18.097 -2.078 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 45 19.484 -2.722 -8.324 1.00 0.00 H new ATOM 635 N GLN A 46 15.789 -6.164 -7.742 1.00 0.00 N ATOM 636 CA GLN A 46 14.967 -7.310 -8.114 1.00 0.00 C ATOM 637 C GLN A 46 13.838 -6.889 -9.049 1.00 0.00 C ATOM 638 O GLN A 46 13.176 -5.876 -8.823 1.00 0.00 O ATOM 639 CB GLN A 46 14.389 -7.977 -6.864 1.00 0.00 C ATOM 640 CG GLN A 46 15.426 -8.256 -5.789 1.00 0.00 C ATOM 641 CD GLN A 46 14.802 -8.524 -4.433 1.00 0.00 C ATOM 642 OE1 GLN A 46 15.215 -7.951 -3.423 1.00 0.00 O ATOM 643 NE2 GLN A 46 13.803 -9.397 -4.402 1.00 0.00 N ATOM 0 H GLN A 46 15.324 -5.491 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 46 15.601 -8.025 -8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.610 -7.338 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.913 -8.915 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.028 -9.115 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.102 -7.405 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.493 -9.848 -5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.345 -9.617 -3.517 1.00 0.00 H new ATOM 652 N HIS A 47 13.624 -7.674 -10.100 1.00 0.00 N ATOM 653 CA HIS A 47 12.575 -7.383 -11.070 1.00 0.00 C ATOM 654 C HIS A 47 11.210 -7.320 -10.392 1.00 0.00 C ATOM 655 O HIS A 47 10.846 -8.210 -9.622 1.00 0.00 O ATOM 656 CB HIS A 47 12.561 -8.443 -12.172 1.00 0.00 C ATOM 657 CG HIS A 47 11.404 -8.312 -13.115 1.00 0.00 C ATOM 658 ND1 HIS A 47 11.455 -7.558 -14.268 1.00 0.00 N ATOM 659 CD2 HIS A 47 10.162 -8.847 -13.071 1.00 0.00 C ATOM 660 CE1 HIS A 47 10.293 -7.632 -14.892 1.00 0.00 C ATOM 661 NE2 HIS A 47 9.491 -8.409 -14.186 1.00 0.00 N ATOM 0 H HIS A 47 14.163 -8.516 -10.301 1.00 0.00 H new ATOM 0 HA HIS A 47 12.786 -6.410 -11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.490 -8.378 -12.739 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.535 -9.432 -11.714 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.771 -9.497 -12.302 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.042 -7.141 -15.821 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.529 -8.645 -14.430 1.00 0.00 H new ATOM 669 N CYS A 48 10.458 -6.263 -10.681 1.00 0.00 N ATOM 670 CA CYS A 48 9.134 -6.082 -10.098 1.00 0.00 C ATOM 671 C CYS A 48 8.077 -6.823 -10.911 1.00 0.00 C ATOM 672 O CYS A 48 8.216 -6.994 -12.123 1.00 0.00 O ATOM 673 CB CYS A 48 8.786 -4.595 -10.023 1.00 0.00 C ATOM 674 SG CYS A 48 7.210 -4.242 -9.179 1.00 0.00 S ATOM 0 H CYS A 48 10.744 -5.518 -11.316 1.00 0.00 H new ATOM 0 HA CYS A 48 9.148 -6.496 -9.090 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.589 -4.071 -9.505 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.743 -4.191 -11.035 1.00 0.00 H new ATOM 679 N HIS A 49 7.019 -7.261 -10.236 1.00 0.00 N ATOM 680 CA HIS A 49 5.936 -7.983 -10.896 1.00 0.00 C ATOM 681 C HIS A 49 4.736 -7.070 -11.127 1.00 0.00 C ATOM 682 O HIS A 49 4.172 -7.035 -12.221 1.00 0.00 O ATOM 683 CB HIS A 49 5.518 -9.193 -10.059 1.00 0.00 C ATOM 684 CG HIS A 49 6.674 -9.984 -9.529 1.00 0.00 C ATOM 685 ND1 HIS A 49 7.302 -9.692 -8.336 1.00 0.00 N ATOM 686 CD2 HIS A 49 7.316 -11.062 -10.037 1.00 0.00 C ATOM 687 CE1 HIS A 49 8.280 -10.556 -8.134 1.00 0.00 C ATOM 688 NE2 HIS A 49 8.310 -11.399 -9.150 1.00 0.00 N ATOM 0 H HIS A 49 6.888 -7.129 -9.233 1.00 0.00 H new ATOM 0 HA HIS A 49 6.299 -8.328 -11.864 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.908 -8.852 -9.223 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.890 -9.845 -10.666 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.089 -11.564 -10.966 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.943 -10.571 -7.282 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.964 -12.174 -9.259 1.00 0.00 H new ATOM 696 N TYR A 50 4.351 -6.334 -10.091 1.00 0.00 N ATOM 697 CA TYR A 50 3.216 -5.423 -10.180 1.00 0.00 C ATOM 698 C TYR A 50 3.132 -4.791 -11.566 1.00 0.00 C ATOM 699 O TYR A 50 2.127 -4.927 -12.264 1.00 0.00 O ATOM 700 CB TYR A 50 3.326 -4.331 -9.115 1.00 0.00 C ATOM 701 CG TYR A 50 2.657 -4.691 -7.807 1.00 0.00 C ATOM 702 CD1 TYR A 50 2.986 -5.862 -7.135 1.00 0.00 C ATOM 703 CD2 TYR A 50 1.696 -3.861 -7.244 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.378 -6.196 -5.941 1.00 0.00 C ATOM 705 CE2 TYR A 50 1.083 -4.186 -6.049 1.00 0.00 C ATOM 706 CZ TYR A 50 1.427 -5.354 -5.402 1.00 0.00 C ATOM 707 OH TYR A 50 0.818 -5.682 -4.212 1.00 0.00 O ATOM 0 H TYR A 50 4.808 -6.350 -9.179 1.00 0.00 H new ATOM 0 HA TYR A 50 2.307 -5.999 -10.007 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.379 -4.121 -8.929 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.882 -3.413 -9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.731 -6.523 -7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.423 -2.946 -7.749 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.645 -7.110 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.339 -3.529 -5.624 1.00 0.00 H new ATOM 0 HH TYR A 50 0.174 -4.984 -3.970 1.00 0.00 H new ATOM 717 N CYS A 51 4.197 -4.099 -11.958 1.00 0.00 N ATOM 718 CA CYS A 51 4.247 -3.445 -13.260 1.00 0.00 C ATOM 719 C CYS A 51 4.997 -4.305 -14.273 1.00 0.00 C ATOM 720 O CYS A 51 4.634 -4.359 -15.447 1.00 0.00 O ATOM 721 CB CYS A 51 4.920 -2.076 -13.140 1.00 0.00 C ATOM 722 SG CYS A 51 6.519 -2.106 -12.268 1.00 0.00 S ATOM 0 H CYS A 51 5.037 -3.977 -11.392 1.00 0.00 H new ATOM 0 HA CYS A 51 3.224 -3.311 -13.611 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.071 -1.669 -14.140 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.246 -1.397 -12.618 1.00 0.00 H new ATOM 727 N GLY A 52 6.045 -4.978 -13.808 1.00 0.00 N ATOM 728 CA GLY A 52 6.830 -5.827 -14.686 1.00 0.00 C ATOM 729 C GLY A 52 7.886 -5.053 -15.450 1.00 0.00 C ATOM 730 O GLY A 52 8.357 -5.498 -16.495 1.00 0.00 O ATOM 0 H GLY A 52 6.365 -4.951 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.311 -6.607 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.167 -6.325 -15.393 1.00 0.00 H new ATOM 734 N GLY A 53 8.258 -3.888 -14.927 1.00 0.00 N ATOM 735 CA GLY A 53 9.261 -3.069 -15.581 1.00 0.00 C ATOM 736 C GLY A 53 8.652 -1.924 -16.367 1.00 0.00 C ATOM 737 O GLY A 53 9.107 -1.606 -17.465 1.00 0.00 O ATOM 0 H GLY A 53 7.883 -3.498 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.944 -2.669 -14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.853 -3.692 -16.252 1.00 0.00 H new ATOM 741 N SER A 54 7.619 -1.305 -15.804 1.00 0.00 N ATOM 742 CA SER A 54 6.943 -0.193 -16.462 1.00 0.00 C ATOM 743 C SER A 54 6.759 0.976 -15.500 1.00 0.00 C ATOM 744 O SER A 54 6.841 2.138 -15.894 1.00 0.00 O ATOM 745 CB SER A 54 5.584 -0.643 -17.002 1.00 0.00 C ATOM 746 OG SER A 54 4.910 0.427 -17.641 1.00 0.00 O ATOM 0 H SER A 54 7.232 -1.555 -14.894 1.00 0.00 H new ATOM 0 HA SER A 54 7.565 0.138 -17.294 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.723 -1.463 -17.707 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.973 -1.026 -16.185 1.00 0.00 H new ATOM 0 HG SER A 54 4.045 0.114 -17.979 1.00 0.00 H new ATOM 752 N GLY A 55 6.508 0.659 -14.233 1.00 0.00 N ATOM 753 CA GLY A 55 6.315 1.693 -13.233 1.00 0.00 C ATOM 754 C GLY A 55 4.863 2.109 -13.102 1.00 0.00 C ATOM 755 O GLY A 55 4.568 3.255 -12.765 1.00 0.00 O ATOM 0 H GLY A 55 6.435 -0.296 -13.881 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.675 1.334 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.917 2.563 -13.494 1.00 0.00 H new ATOM 759 N MET A 56 3.955 1.177 -13.371 1.00 0.00 N ATOM 760 CA MET A 56 2.526 1.454 -13.282 1.00 0.00 C ATOM 761 C MET A 56 1.754 0.202 -12.880 1.00 0.00 C ATOM 762 O MET A 56 2.009 -0.887 -13.393 1.00 0.00 O ATOM 763 CB MET A 56 2.003 1.984 -14.618 1.00 0.00 C ATOM 764 CG MET A 56 0.498 2.194 -14.642 1.00 0.00 C ATOM 765 SD MET A 56 -0.004 3.493 -15.786 1.00 0.00 S ATOM 766 CE MET A 56 -0.241 4.864 -14.659 1.00 0.00 C ATOM 0 H MET A 56 4.183 0.223 -13.652 1.00 0.00 H new ATOM 0 HA MET A 56 2.375 2.214 -12.515 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.497 2.929 -14.843 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.277 1.285 -15.409 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.009 1.261 -14.921 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.154 2.446 -13.639 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.554 5.745 -15.219 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.008 4.606 -13.929 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.695 5.076 -14.142 1.00 0.00 H new ATOM 776 N GLU A 57 0.808 0.365 -11.959 1.00 0.00 N ATOM 777 CA GLU A 57 0.000 -0.754 -11.489 1.00 0.00 C ATOM 778 C GLU A 57 -1.388 -0.726 -12.122 1.00 0.00 C ATOM 779 O GLU A 57 -1.893 0.334 -12.494 1.00 0.00 O ATOM 780 CB GLU A 57 -0.122 -0.719 -9.965 1.00 0.00 C ATOM 781 CG GLU A 57 -1.244 -1.589 -9.423 1.00 0.00 C ATOM 782 CD GLU A 57 -0.911 -3.067 -9.470 1.00 0.00 C ATOM 783 OE1 GLU A 57 -0.705 -3.593 -10.584 1.00 0.00 O ATOM 784 OE2 GLU A 57 -0.856 -3.698 -8.394 1.00 0.00 O ATOM 0 H GLU A 57 0.583 1.260 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 57 0.497 -1.678 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.822 -1.043 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.285 0.310 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.457 -1.301 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.151 -1.406 -9.999 1.00 0.00 H new ATOM 791 N THR A 58 -2.001 -1.900 -12.243 1.00 0.00 N ATOM 792 CA THR A 58 -3.329 -2.012 -12.832 1.00 0.00 C ATOM 793 C THR A 58 -4.331 -2.569 -11.828 1.00 0.00 C ATOM 794 O THR A 58 -4.095 -3.610 -11.214 1.00 0.00 O ATOM 795 CB THR A 58 -3.315 -2.914 -14.081 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.271 -2.503 -14.971 1.00 0.00 O ATOM 797 CG2 THR A 58 -4.654 -2.859 -14.803 1.00 0.00 C ATOM 0 H THR A 58 -1.598 -2.787 -11.940 1.00 0.00 H new ATOM 0 HA THR A 58 -3.632 -1.006 -13.123 1.00 0.00 H new ATOM 0 HB THR A 58 -3.135 -3.940 -13.759 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.268 -3.082 -15.761 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.620 -3.503 -15.681 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.443 -3.200 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.859 -1.834 -15.113 1.00 0.00 H new ATOM 805 N ILE A 59 -5.450 -1.871 -11.665 1.00 0.00 N ATOM 806 CA ILE A 59 -6.488 -2.298 -10.736 1.00 0.00 C ATOM 807 C ILE A 59 -7.701 -2.845 -11.481 1.00 0.00 C ATOM 808 O ILE A 59 -8.571 -2.089 -11.911 1.00 0.00 O ATOM 809 CB ILE A 59 -6.938 -1.142 -9.824 1.00 0.00 C ATOM 810 CG1 ILE A 59 -5.741 -0.565 -9.067 1.00 0.00 C ATOM 811 CG2 ILE A 59 -8.007 -1.619 -8.853 1.00 0.00 C ATOM 812 CD1 ILE A 59 -5.023 0.534 -9.818 1.00 0.00 C ATOM 0 H ILE A 59 -5.661 -1.007 -12.165 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.056 -3.087 -10.121 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.365 -0.354 -10.445 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.082 -0.176 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.036 -1.368 -8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.315 -0.791 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.868 -1.986 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.605 -2.422 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.186 0.896 -9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.651 0.144 -10.766 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.714 1.355 -10.009 1.00 0.00 H new ATOM 824 N ASN A 60 -7.753 -4.165 -11.629 1.00 0.00 N ATOM 825 CA ASN A 60 -8.860 -4.814 -12.321 1.00 0.00 C ATOM 826 C ASN A 60 -10.064 -4.968 -11.396 1.00 0.00 C ATOM 827 O ASN A 60 -10.094 -5.851 -10.539 1.00 0.00 O ATOM 828 CB ASN A 60 -8.428 -6.185 -12.846 1.00 0.00 C ATOM 829 CG ASN A 60 -7.473 -6.079 -14.019 1.00 0.00 C ATOM 830 OD1 ASN A 60 -7.894 -5.924 -15.165 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.178 -6.164 -13.736 1.00 0.00 N ATOM 0 H ASN A 60 -7.041 -4.806 -11.279 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.148 -4.184 -13.163 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.951 -6.745 -12.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.310 -6.750 -13.149 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.487 -6.101 -14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.874 -6.293 -12.771 1.00 0.00 H new ATOM 838 N THR A 61 -11.057 -4.102 -11.577 1.00 0.00 N ATOM 839 CA THR A 61 -12.263 -4.140 -10.759 1.00 0.00 C ATOM 840 C THR A 61 -13.514 -4.195 -11.628 1.00 0.00 C ATOM 841 O THR A 61 -13.821 -3.249 -12.352 1.00 0.00 O ATOM 842 CB THR A 61 -12.350 -2.915 -9.830 1.00 0.00 C ATOM 843 OG1 THR A 61 -13.676 -2.795 -9.302 1.00 0.00 O ATOM 844 CG2 THR A 61 -11.978 -1.643 -10.575 1.00 0.00 C ATOM 0 H THR A 61 -11.049 -3.366 -12.283 1.00 0.00 H new ATOM 0 HA THR A 61 -12.206 -5.043 -10.152 1.00 0.00 H new ATOM 0 HB THR A 61 -11.644 -3.056 -9.011 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.723 -2.015 -8.711 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.047 -0.791 -9.898 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.958 -1.726 -10.951 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.662 -1.498 -11.411 1.00 0.00 H new ATOM 852 N GLY A 62 -14.234 -5.311 -11.551 1.00 0.00 N ATOM 853 CA GLY A 62 -15.445 -5.468 -12.336 1.00 0.00 C ATOM 854 C GLY A 62 -15.178 -5.429 -13.827 1.00 0.00 C ATOM 855 O GLY A 62 -14.090 -5.766 -14.294 1.00 0.00 O ATOM 0 H GLY A 62 -14.000 -6.108 -10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.920 -6.415 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.149 -4.677 -12.075 1.00 0.00 H new ATOM 859 N PRO A 63 -16.190 -5.011 -14.603 1.00 0.00 N ATOM 860 CA PRO A 63 -16.084 -4.921 -16.062 1.00 0.00 C ATOM 861 C PRO A 63 -15.150 -3.801 -16.507 1.00 0.00 C ATOM 862 O PRO A 63 -14.992 -3.549 -17.702 1.00 0.00 O ATOM 863 CB PRO A 63 -17.519 -4.629 -16.504 1.00 0.00 C ATOM 864 CG PRO A 63 -18.153 -3.973 -15.326 1.00 0.00 C ATOM 865 CD PRO A 63 -17.515 -4.594 -14.114 1.00 0.00 C ATOM 0 HA PRO A 63 -15.666 -5.829 -16.498 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.539 -3.978 -17.378 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.043 -5.545 -16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.990 -2.895 -15.344 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.231 -4.132 -15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.435 -3.882 -13.293 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.093 -5.442 -13.745 1.00 0.00 H new ATOM 873 N PHE A 64 -14.533 -3.131 -15.540 1.00 0.00 N ATOM 874 CA PHE A 64 -13.615 -2.036 -15.832 1.00 0.00 C ATOM 875 C PHE A 64 -12.312 -2.197 -15.055 1.00 0.00 C ATOM 876 O PHE A 64 -12.208 -3.037 -14.161 1.00 0.00 O ATOM 877 CB PHE A 64 -14.264 -0.693 -15.491 1.00 0.00 C ATOM 878 CG PHE A 64 -15.133 -0.741 -14.266 1.00 0.00 C ATOM 879 CD1 PHE A 64 -14.579 -0.614 -13.003 1.00 0.00 C ATOM 880 CD2 PHE A 64 -16.503 -0.913 -14.380 1.00 0.00 C ATOM 881 CE1 PHE A 64 -15.376 -0.659 -11.875 1.00 0.00 C ATOM 882 CE2 PHE A 64 -17.305 -0.958 -13.255 1.00 0.00 C ATOM 883 CZ PHE A 64 -16.741 -0.830 -12.001 1.00 0.00 C ATOM 0 H PHE A 64 -14.652 -3.327 -14.546 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.387 -2.060 -16.898 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.482 0.052 -15.343 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.863 -0.362 -16.339 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.513 -0.478 -12.899 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -16.949 -1.013 -15.358 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -14.932 -0.561 -10.895 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -18.372 -1.093 -13.357 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.366 -0.864 -11.121 1.00 0.00 H new ATOM 893 N VAL A 65 -11.319 -1.385 -15.403 1.00 0.00 N ATOM 894 CA VAL A 65 -10.022 -1.436 -14.739 1.00 0.00 C ATOM 895 C VAL A 65 -9.406 -0.045 -14.628 1.00 0.00 C ATOM 896 O VAL A 65 -9.503 0.762 -15.552 1.00 0.00 O ATOM 897 CB VAL A 65 -9.043 -2.360 -15.487 1.00 0.00 C ATOM 898 CG1 VAL A 65 -8.940 -1.957 -16.950 1.00 0.00 C ATOM 899 CG2 VAL A 65 -7.676 -2.338 -14.822 1.00 0.00 C ATOM 0 H VAL A 65 -11.388 -0.684 -16.141 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.195 -1.835 -13.740 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.427 -3.379 -15.442 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.244 -2.621 -17.462 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.922 -2.030 -17.418 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.580 -0.930 -17.020 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.997 -2.997 -15.364 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.282 -1.322 -14.834 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.767 -2.680 -13.791 1.00 0.00 H new ATOM 909 N MET A 66 -8.772 0.227 -13.492 1.00 0.00 N ATOM 910 CA MET A 66 -8.139 1.520 -13.262 1.00 0.00 C ATOM 911 C MET A 66 -6.635 1.440 -13.505 1.00 0.00 C ATOM 912 O MET A 66 -6.089 0.358 -13.720 1.00 0.00 O ATOM 913 CB MET A 66 -8.412 1.999 -11.835 1.00 0.00 C ATOM 914 CG MET A 66 -9.848 1.782 -11.386 1.00 0.00 C ATOM 915 SD MET A 66 -11.018 2.837 -12.263 1.00 0.00 S ATOM 916 CE MET A 66 -12.322 1.665 -12.629 1.00 0.00 C ATOM 0 H MET A 66 -8.683 -0.430 -12.717 1.00 0.00 H new ATOM 0 HA MET A 66 -8.565 2.235 -13.965 1.00 0.00 H new ATOM 0 HB2 MET A 66 -7.743 1.477 -11.151 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.174 3.060 -11.765 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.119 0.738 -11.542 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.923 1.975 -10.316 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.089 2.151 -13.233 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.908 0.820 -13.179 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.764 1.310 -11.698 1.00 0.00 H new ATOM 926 N ARG A 67 -5.972 2.591 -13.468 1.00 0.00 N ATOM 927 CA ARG A 67 -4.532 2.650 -13.686 1.00 0.00 C ATOM 928 C ARG A 67 -3.875 3.630 -12.718 1.00 0.00 C ATOM 929 O ARG A 67 -4.114 4.836 -12.782 1.00 0.00 O ATOM 930 CB ARG A 67 -4.229 3.061 -15.128 1.00 0.00 C ATOM 931 CG ARG A 67 -4.373 1.926 -16.128 1.00 0.00 C ATOM 932 CD ARG A 67 -3.188 0.974 -16.065 1.00 0.00 C ATOM 933 NE ARG A 67 -3.114 0.114 -17.243 1.00 0.00 N ATOM 934 CZ ARG A 67 -2.359 0.383 -18.303 1.00 0.00 C ATOM 935 NH1 ARG A 67 -1.617 1.481 -18.331 1.00 0.00 N ATOM 936 NH2 ARG A 67 -2.345 -0.449 -19.337 1.00 0.00 N ATOM 0 H ARG A 67 -6.409 3.495 -13.289 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.122 1.657 -13.505 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.898 3.873 -15.414 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.213 3.452 -15.179 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.293 1.377 -15.927 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.459 2.335 -17.135 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.266 1.548 -15.977 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.266 0.357 -15.170 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.672 -0.740 -17.253 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.625 2.122 -17.538 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.038 1.685 -19.146 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.914 -1.295 -19.318 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.765 -0.242 -20.150 1.00 0.00 H new ATOM 950 N SER A 68 -3.048 3.103 -11.821 1.00 0.00 N ATOM 951 CA SER A 68 -2.360 3.930 -10.836 1.00 0.00 C ATOM 952 C SER A 68 -0.901 3.508 -10.696 1.00 0.00 C ATOM 953 O SER A 68 -0.570 2.327 -10.808 1.00 0.00 O ATOM 954 CB SER A 68 -3.063 3.836 -9.480 1.00 0.00 C ATOM 955 OG SER A 68 -2.867 5.016 -8.721 1.00 0.00 O ATOM 0 H SER A 68 -2.838 2.107 -11.756 1.00 0.00 H new ATOM 0 HA SER A 68 -2.389 4.963 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.130 3.670 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.681 2.977 -8.928 1.00 0.00 H new ATOM 0 HG SER A 68 -3.327 4.931 -7.860 1.00 0.00 H new ATOM 961 N THR A 69 -0.031 4.483 -10.450 1.00 0.00 N ATOM 962 CA THR A 69 1.393 4.214 -10.296 1.00 0.00 C ATOM 963 C THR A 69 1.632 3.021 -9.378 1.00 0.00 C ATOM 964 O THR A 69 0.928 2.838 -8.385 1.00 0.00 O ATOM 965 CB THR A 69 2.138 5.439 -9.730 1.00 0.00 C ATOM 966 OG1 THR A 69 1.882 6.587 -10.546 1.00 0.00 O ATOM 967 CG2 THR A 69 3.635 5.179 -9.665 1.00 0.00 C ATOM 0 H THR A 69 -0.288 5.465 -10.353 1.00 0.00 H new ATOM 0 HA THR A 69 1.781 3.988 -11.289 1.00 0.00 H new ATOM 0 HB THR A 69 1.774 5.624 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.357 7.362 -10.179 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.140 6.057 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.828 4.322 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.012 4.971 -10.666 1.00 0.00 H new ATOM 975 N CYS A 70 2.629 2.210 -9.717 1.00 0.00 N ATOM 976 CA CYS A 70 2.961 1.033 -8.924 1.00 0.00 C ATOM 977 C CYS A 70 3.150 1.402 -7.455 1.00 0.00 C ATOM 978 O CYS A 70 3.264 2.578 -7.110 1.00 0.00 O ATOM 979 CB CYS A 70 4.231 0.371 -9.463 1.00 0.00 C ATOM 980 SG CYS A 70 4.439 -1.365 -8.952 1.00 0.00 S ATOM 0 H CYS A 70 3.221 2.347 -10.536 1.00 0.00 H new ATOM 0 HA CYS A 70 2.132 0.329 -8.999 1.00 0.00 H new ATOM 0 HB2 CYS A 70 4.219 0.419 -10.552 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.096 0.943 -9.128 1.00 0.00 H new ATOM 985 N ARG A 71 3.184 0.389 -6.596 1.00 0.00 N ATOM 986 CA ARG A 71 3.358 0.607 -5.165 1.00 0.00 C ATOM 987 C ARG A 71 4.575 -0.152 -4.644 1.00 0.00 C ATOM 988 O ARG A 71 5.302 0.338 -3.780 1.00 0.00 O ATOM 989 CB ARG A 71 2.106 0.168 -4.404 1.00 0.00 C ATOM 990 CG ARG A 71 0.834 0.853 -4.877 1.00 0.00 C ATOM 991 CD ARG A 71 -0.407 0.148 -4.353 1.00 0.00 C ATOM 992 NE ARG A 71 -0.521 0.249 -2.901 1.00 0.00 N ATOM 993 CZ ARG A 71 -1.061 1.290 -2.277 1.00 0.00 C ATOM 994 NH1 ARG A 71 -1.534 2.314 -2.975 1.00 0.00 N ATOM 995 NH2 ARG A 71 -1.130 1.309 -0.952 1.00 0.00 N ATOM 0 H ARG A 71 3.093 -0.591 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 71 3.518 1.673 -5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.988 -0.911 -4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.246 0.373 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.833 1.891 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.812 0.869 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.293 0.581 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.377 -0.903 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.167 -0.522 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.484 2.303 -3.994 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.948 3.112 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.768 0.524 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.545 2.109 -0.474 1.00 0.00 H new ATOM 1009 N ARG A 72 4.790 -1.351 -5.175 1.00 0.00 N ATOM 1010 CA ARG A 72 5.917 -2.179 -4.763 1.00 0.00 C ATOM 1011 C ARG A 72 7.242 -1.505 -5.108 1.00 0.00 C ATOM 1012 O ARG A 72 8.105 -1.331 -4.247 1.00 0.00 O ATOM 1013 CB ARG A 72 5.842 -3.552 -5.433 1.00 0.00 C ATOM 1014 CG ARG A 72 4.723 -4.430 -4.898 1.00 0.00 C ATOM 1015 CD ARG A 72 5.007 -4.891 -3.477 1.00 0.00 C ATOM 1016 NE ARG A 72 3.866 -5.588 -2.889 1.00 0.00 N ATOM 1017 CZ ARG A 72 3.939 -6.307 -1.775 1.00 0.00 C ATOM 1018 NH1 ARG A 72 5.092 -6.423 -1.131 1.00 0.00 N ATOM 1019 NH2 ARG A 72 2.857 -6.912 -1.302 1.00 0.00 N ATOM 0 H ARG A 72 4.198 -1.771 -5.892 1.00 0.00 H new ATOM 0 HA ARG A 72 5.864 -2.307 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.705 -3.416 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.793 -4.066 -5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.783 -3.878 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.599 -5.298 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.874 -5.551 -3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.262 -4.029 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 72 2.964 -5.519 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.926 -5.959 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.145 -6.976 -0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.968 -6.825 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.914 -7.464 -0.446 1.00 0.00 H new ATOM 1033 N CYS A 73 7.396 -1.127 -6.373 1.00 0.00 N ATOM 1034 CA CYS A 73 8.614 -0.473 -6.833 1.00 0.00 C ATOM 1035 C CYS A 73 8.520 1.040 -6.657 1.00 0.00 C ATOM 1036 O CYS A 73 9.473 1.686 -6.223 1.00 0.00 O ATOM 1037 CB CYS A 73 8.876 -0.811 -8.303 1.00 0.00 C ATOM 1038 SG CYS A 73 7.550 -0.280 -9.434 1.00 0.00 S ATOM 0 H CYS A 73 6.691 -1.263 -7.098 1.00 0.00 H new ATOM 0 HA CYS A 73 9.443 -0.840 -6.229 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.811 -0.344 -8.611 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.011 -1.888 -8.399 1.00 0.00 H new ATOM 1043 N GLY A 74 7.362 1.599 -6.996 1.00 0.00 N ATOM 1044 CA GLY A 74 7.164 3.030 -6.868 1.00 0.00 C ATOM 1045 C GLY A 74 7.276 3.752 -8.196 1.00 0.00 C ATOM 1046 O GLY A 74 7.711 4.902 -8.251 1.00 0.00 O ATOM 0 H GLY A 74 6.558 1.086 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.181 3.220 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.901 3.435 -6.174 1.00 0.00 H new ATOM 1050 N GLY A 75 6.884 3.075 -9.272 1.00 0.00 N ATOM 1051 CA GLY A 75 6.953 3.675 -10.592 1.00 0.00 C ATOM 1052 C GLY A 75 8.358 3.664 -11.161 1.00 0.00 C ATOM 1053 O GLY A 75 8.790 4.634 -11.784 1.00 0.00 O ATOM 0 H GLY A 75 6.520 2.122 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.287 3.138 -11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.593 4.703 -10.540 1.00 0.00 H new ATOM 1057 N ARG A 76 9.074 2.565 -10.945 1.00 0.00 N ATOM 1058 CA ARG A 76 10.439 2.433 -11.439 1.00 0.00 C ATOM 1059 C ARG A 76 10.575 1.210 -12.341 1.00 0.00 C ATOM 1060 O ARG A 76 11.247 1.257 -13.371 1.00 0.00 O ATOM 1061 CB ARG A 76 11.419 2.329 -10.269 1.00 0.00 C ATOM 1062 CG ARG A 76 12.826 1.933 -10.687 1.00 0.00 C ATOM 1063 CD ARG A 76 13.677 3.152 -11.005 1.00 0.00 C ATOM 1064 NE ARG A 76 13.336 3.734 -12.300 1.00 0.00 N ATOM 1065 CZ ARG A 76 14.179 4.466 -13.021 1.00 0.00 C ATOM 1066 NH1 ARG A 76 15.405 4.703 -12.576 1.00 0.00 N ATOM 1067 NH2 ARG A 76 13.795 4.962 -14.190 1.00 0.00 N ATOM 0 H ARG A 76 8.731 1.753 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 76 10.675 3.322 -12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.459 3.288 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.042 1.598 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.296 1.358 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.778 1.284 -11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.544 3.901 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.730 2.870 -11.000 1.00 0.00 H new ATOM 0 HE ARG A 76 12.400 3.570 -12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.704 4.323 -11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.050 5.265 -13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.852 4.782 -14.536 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.442 5.524 -14.743 1.00 0.00 H new ATOM 1081 N GLY A 77 9.933 0.115 -11.946 1.00 0.00 N ATOM 1082 CA GLY A 77 9.996 -1.105 -12.729 1.00 0.00 C ATOM 1083 C GLY A 77 10.647 -2.247 -11.973 1.00 0.00 C ATOM 1084 O GLY A 77 10.548 -3.405 -12.378 1.00 0.00 O ATOM 0 H GLY A 77 9.370 0.051 -11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.988 -1.396 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.554 -0.916 -13.646 1.00 0.00 H new ATOM 1088 N SER A 78 11.315 -1.920 -10.871 1.00 0.00 N ATOM 1089 CA SER A 78 11.989 -2.927 -10.059 1.00 0.00 C ATOM 1090 C SER A 78 12.004 -2.518 -8.589 1.00 0.00 C ATOM 1091 O SER A 78 11.707 -1.372 -8.250 1.00 0.00 O ATOM 1092 CB SER A 78 13.420 -3.139 -10.557 1.00 0.00 C ATOM 1093 OG SER A 78 13.430 -3.640 -11.882 1.00 0.00 O ATOM 0 H SER A 78 11.404 -0.966 -10.520 1.00 0.00 H new ATOM 0 HA SER A 78 11.438 -3.863 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.966 -2.196 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.938 -3.835 -9.898 1.00 0.00 H new ATOM 0 HG SER A 78 14.356 -3.765 -12.177 1.00 0.00 H new ATOM 1099 N ILE A 79 12.354 -3.462 -7.723 1.00 0.00 N ATOM 1100 CA ILE A 79 12.409 -3.201 -6.290 1.00 0.00 C ATOM 1101 C ILE A 79 13.826 -2.848 -5.850 1.00 0.00 C ATOM 1102 O ILE A 79 14.751 -3.647 -6.001 1.00 0.00 O ATOM 1103 CB ILE A 79 11.918 -4.413 -5.477 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.462 -4.730 -5.821 1.00 0.00 C ATOM 1105 CG2 ILE A 79 12.071 -4.148 -3.987 1.00 0.00 C ATOM 1106 CD1 ILE A 79 10.310 -5.697 -6.974 1.00 0.00 C ATOM 0 H ILE A 79 12.604 -4.415 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 79 11.750 -2.355 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 79 12.529 -5.278 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.972 -5.147 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.945 -3.802 -6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.720 -5.014 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.121 -3.967 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.482 -3.273 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.251 -5.876 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.771 -5.274 -7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.798 -6.639 -6.725 1.00 0.00 H new ATOM 1118 N ILE A 80 13.988 -1.648 -5.304 1.00 0.00 N ATOM 1119 CA ILE A 80 15.292 -1.190 -4.840 1.00 0.00 C ATOM 1120 C ILE A 80 15.504 -1.537 -3.370 1.00 0.00 C ATOM 1121 O ILE A 80 14.960 -0.880 -2.482 1.00 0.00 O ATOM 1122 CB ILE A 80 15.455 0.330 -5.026 1.00 0.00 C ATOM 1123 CG1 ILE A 80 15.476 0.684 -6.514 1.00 0.00 C ATOM 1124 CG2 ILE A 80 16.725 0.814 -4.342 1.00 0.00 C ATOM 1125 CD1 ILE A 80 15.382 2.170 -6.783 1.00 0.00 C ATOM 0 H ILE A 80 13.233 -0.975 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 80 16.040 -1.703 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 80 14.604 0.831 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.395 0.300 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.647 0.180 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 80 16.826 1.890 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 80 16.672 0.590 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 80 17.588 0.309 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.403 2.347 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.451 2.556 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 80 16.225 2.678 -6.315 1.00 0.00 H new ATOM 1137 N ILE A 81 16.301 -2.571 -3.120 1.00 0.00 N ATOM 1138 CA ILE A 81 16.587 -3.003 -1.758 1.00 0.00 C ATOM 1139 C ILE A 81 17.225 -1.879 -0.948 1.00 0.00 C ATOM 1140 O ILE A 81 17.013 -1.773 0.260 1.00 0.00 O ATOM 1141 CB ILE A 81 17.521 -4.227 -1.740 1.00 0.00 C ATOM 1142 CG1 ILE A 81 16.883 -5.394 -2.498 1.00 0.00 C ATOM 1143 CG2 ILE A 81 17.839 -4.630 -0.308 1.00 0.00 C ATOM 1144 CD1 ILE A 81 17.352 -5.512 -3.931 1.00 0.00 C ATOM 0 H ILE A 81 16.760 -3.125 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 81 15.633 -3.277 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 81 18.454 -3.961 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 81 17.106 -6.323 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.800 -5.275 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 81 18.500 -5.497 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 81 18.330 -3.802 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 81 16.915 -4.881 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.859 -6.360 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 81 17.104 -4.598 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 81 18.431 -5.663 -3.949 1.00 0.00 H new ATOM 1156 N SER A 82 18.007 -1.041 -1.622 1.00 0.00 N ATOM 1157 CA SER A 82 18.678 0.074 -0.965 1.00 0.00 C ATOM 1158 C SER A 82 18.555 1.348 -1.796 1.00 0.00 C ATOM 1159 O SER A 82 19.168 1.491 -2.854 1.00 0.00 O ATOM 1160 CB SER A 82 20.153 -0.256 -0.733 1.00 0.00 C ATOM 1161 OG SER A 82 20.339 -0.916 0.508 1.00 0.00 O ATOM 0 H SER A 82 18.191 -1.114 -2.623 1.00 0.00 H new ATOM 0 HA SER A 82 18.194 0.240 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.519 -0.887 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.742 0.661 -0.752 1.00 0.00 H new ATOM 0 HG SER A 82 21.290 -1.118 0.632 1.00 0.00 H new ATOM 1167 N PRO A 83 17.743 2.297 -1.307 1.00 0.00 N ATOM 1168 CA PRO A 83 17.520 3.576 -1.987 1.00 0.00 C ATOM 1169 C PRO A 83 18.753 4.474 -1.952 1.00 0.00 C ATOM 1170 O PRO A 83 19.460 4.536 -0.946 1.00 0.00 O ATOM 1171 CB PRO A 83 16.376 4.207 -1.190 1.00 0.00 C ATOM 1172 CG PRO A 83 16.474 3.594 0.164 1.00 0.00 C ATOM 1173 CD PRO A 83 16.981 2.194 -0.051 1.00 0.00 C ATOM 0 HA PRO A 83 17.297 3.441 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.478 5.291 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.410 3.998 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.153 4.161 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.503 3.586 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.610 1.863 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.163 1.479 -0.135 1.00 0.00 H new ATOM 1181 N CYS A 84 19.004 5.168 -3.056 1.00 0.00 N ATOM 1182 CA CYS A 84 20.151 6.063 -3.152 1.00 0.00 C ATOM 1183 C CYS A 84 20.329 6.860 -1.863 1.00 0.00 C ATOM 1184 O CYS A 84 19.399 6.988 -1.066 1.00 0.00 O ATOM 1185 CB CYS A 84 19.982 7.018 -4.336 1.00 0.00 C ATOM 1186 SG CYS A 84 21.521 7.847 -4.848 1.00 0.00 S ATOM 0 H CYS A 84 18.429 5.128 -3.897 1.00 0.00 H new ATOM 0 HA CYS A 84 21.042 5.455 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.582 6.461 -5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 84 19.243 7.776 -4.075 1.00 0.00 H new ATOM 1191 N VAL A 85 21.530 7.395 -1.665 1.00 0.00 N ATOM 1192 CA VAL A 85 21.830 8.180 -0.474 1.00 0.00 C ATOM 1193 C VAL A 85 21.971 9.660 -0.813 1.00 0.00 C ATOM 1194 O VAL A 85 22.163 10.495 0.071 1.00 0.00 O ATOM 1195 CB VAL A 85 23.123 7.695 0.207 1.00 0.00 C ATOM 1196 CG1 VAL A 85 22.956 6.273 0.721 1.00 0.00 C ATOM 1197 CG2 VAL A 85 24.298 7.788 -0.754 1.00 0.00 C ATOM 0 H VAL A 85 22.311 7.299 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 85 20.994 8.045 0.213 1.00 0.00 H new ATOM 0 HB VAL A 85 23.328 8.342 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 85 23.880 5.948 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 85 22.142 6.241 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 85 22.726 5.609 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 85 25.204 7.441 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 85 24.103 7.166 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 85 24.430 8.823 -1.068 1.00 0.00 H new ATOM 1207 N VAL A 86 21.874 9.979 -2.100 1.00 0.00 N ATOM 1208 CA VAL A 86 21.989 11.358 -2.556 1.00 0.00 C ATOM 1209 C VAL A 86 20.629 11.921 -2.953 1.00 0.00 C ATOM 1210 O VAL A 86 20.207 12.966 -2.455 1.00 0.00 O ATOM 1211 CB VAL A 86 22.950 11.475 -3.754 1.00 0.00 C ATOM 1212 CG1 VAL A 86 22.480 12.557 -4.713 1.00 0.00 C ATOM 1213 CG2 VAL A 86 24.367 11.754 -3.275 1.00 0.00 C ATOM 0 H VAL A 86 21.716 9.300 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 86 22.388 11.935 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 86 22.952 10.526 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 86 23.172 12.625 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 86 21.485 12.309 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 86 22.446 13.514 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.033 11.834 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.384 12.689 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.701 10.940 -2.632 1.00 0.00 H new ATOM 1223 N CYS A 87 19.945 11.222 -3.853 1.00 0.00 N ATOM 1224 CA CYS A 87 18.632 11.651 -4.319 1.00 0.00 C ATOM 1225 C CYS A 87 17.525 10.876 -3.611 1.00 0.00 C ATOM 1226 O CYS A 87 16.341 11.080 -3.879 1.00 0.00 O ATOM 1227 CB CYS A 87 18.517 11.460 -5.832 1.00 0.00 C ATOM 1228 SG CYS A 87 18.517 9.718 -6.364 1.00 0.00 S ATOM 0 H CYS A 87 20.279 10.355 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 87 18.518 12.709 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 87 17.599 11.934 -6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 87 19.345 11.977 -6.317 1.00 0.00 H new ATOM 1233 N ARG A 88 17.918 9.986 -2.706 1.00 0.00 N ATOM 1234 CA ARG A 88 16.960 9.179 -1.961 1.00 0.00 C ATOM 1235 C ARG A 88 15.871 8.637 -2.883 1.00 0.00 C ATOM 1236 O ARG A 88 14.683 8.723 -2.575 1.00 0.00 O ATOM 1237 CB ARG A 88 16.328 10.005 -0.839 1.00 0.00 C ATOM 1238 CG ARG A 88 17.343 10.745 0.018 1.00 0.00 C ATOM 1239 CD ARG A 88 18.539 9.866 0.348 1.00 0.00 C ATOM 1240 NE ARG A 88 19.116 10.194 1.649 1.00 0.00 N ATOM 1241 CZ ARG A 88 18.449 10.099 2.794 1.00 0.00 C ATOM 1242 NH1 ARG A 88 17.188 9.688 2.798 1.00 0.00 N ATOM 1243 NH2 ARG A 88 19.043 10.415 3.938 1.00 0.00 N ATOM 0 H ARG A 88 18.894 9.806 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 88 17.496 8.336 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.638 10.727 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.739 9.346 -0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.681 11.639 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.868 11.077 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.233 8.820 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.299 9.982 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 88 20.084 10.514 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.728 9.444 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.678 9.616 3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 88 20.013 10.731 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.530 10.342 4.816 1.00 0.00 H new ATOM 1257 N GLY A 89 16.286 8.080 -4.016 1.00 0.00 N ATOM 1258 CA GLY A 89 15.335 7.534 -4.966 1.00 0.00 C ATOM 1259 C GLY A 89 14.460 8.602 -5.590 1.00 0.00 C ATOM 1260 O GLY A 89 13.265 8.393 -5.798 1.00 0.00 O ATOM 0 H GLY A 89 17.264 7.997 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.874 7.006 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.705 6.800 -4.463 1.00 0.00 H new ATOM 1264 N ALA A 90 15.055 9.752 -5.889 1.00 0.00 N ATOM 1265 CA ALA A 90 14.322 10.858 -6.493 1.00 0.00 C ATOM 1266 C ALA A 90 14.612 10.958 -7.987 1.00 0.00 C ATOM 1267 O ALA A 90 13.783 11.438 -8.759 1.00 0.00 O ATOM 1268 CB ALA A 90 14.671 12.165 -5.797 1.00 0.00 C ATOM 0 H ALA A 90 16.043 9.942 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 90 13.256 10.666 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.117 12.982 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.407 12.097 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.740 12.353 -5.892 1.00 0.00 H new ATOM 1274 N GLY A 91 15.794 10.501 -8.388 1.00 0.00 N ATOM 1275 CA GLY A 91 16.172 10.549 -9.788 1.00 0.00 C ATOM 1276 C GLY A 91 16.919 11.819 -10.144 1.00 0.00 C ATOM 1277 O GLY A 91 17.521 11.913 -11.213 1.00 0.00 O ATOM 0 H GLY A 91 16.497 10.098 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.796 9.686 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.277 10.472 -10.406 1.00 0.00 H new ATOM 1281 N GLN A 92 16.880 12.798 -9.246 1.00 0.00 N ATOM 1282 CA GLN A 92 17.557 14.069 -9.473 1.00 0.00 C ATOM 1283 C GLN A 92 18.078 14.650 -8.162 1.00 0.00 C ATOM 1284 O GLN A 92 17.597 14.304 -7.084 1.00 0.00 O ATOM 1285 CB GLN A 92 16.608 15.064 -10.143 1.00 0.00 C ATOM 1286 CG GLN A 92 16.154 14.633 -11.529 1.00 0.00 C ATOM 1287 CD GLN A 92 14.890 15.340 -11.975 1.00 0.00 C ATOM 1288 OE1 GLN A 92 14.875 16.558 -12.152 1.00 0.00 O ATOM 1289 NE2 GLN A 92 13.819 14.577 -12.160 1.00 0.00 N ATOM 0 H GLN A 92 16.387 12.735 -8.355 1.00 0.00 H new ATOM 0 HA GLN A 92 18.406 13.887 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.732 15.201 -9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.103 16.032 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.950 14.833 -12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.984 13.556 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.876 13.571 -12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.939 14.997 -12.461 1.00 0.00 H new ATOM 1298 N ALA A 93 19.065 15.534 -8.264 1.00 0.00 N ATOM 1299 CA ALA A 93 19.650 16.164 -7.086 1.00 0.00 C ATOM 1300 C ALA A 93 19.962 17.634 -7.348 1.00 0.00 C ATOM 1301 O ALA A 93 19.769 18.132 -8.457 1.00 0.00 O ATOM 1302 CB ALA A 93 20.910 15.423 -6.663 1.00 0.00 C ATOM 0 H ALA A 93 19.476 15.830 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 93 18.922 16.112 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.337 15.904 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.662 14.388 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.636 15.446 -7.476 1.00 0.00 H new ATOM 1308 N LYS A 94 20.443 18.324 -6.319 1.00 0.00 N ATOM 1309 CA LYS A 94 20.782 19.737 -6.437 1.00 0.00 C ATOM 1310 C LYS A 94 22.239 19.914 -6.851 1.00 0.00 C ATOM 1311 O LYS A 94 23.149 19.745 -6.039 1.00 0.00 O ATOM 1312 CB LYS A 94 20.526 20.456 -5.111 1.00 0.00 C ATOM 1313 CG LYS A 94 21.063 19.711 -3.901 1.00 0.00 C ATOM 1314 CD LYS A 94 21.114 20.604 -2.673 1.00 0.00 C ATOM 1315 CE LYS A 94 19.815 20.542 -1.885 1.00 0.00 C ATOM 1316 NZ LYS A 94 19.804 21.512 -0.755 1.00 0.00 N ATOM 0 H LYS A 94 20.607 17.927 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 94 20.148 20.174 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.982 21.445 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.453 20.604 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.433 18.845 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.062 19.333 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.943 20.299 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.307 21.633 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.977 20.750 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.673 19.533 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.902 21.438 -0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.588 21.298 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.914 22.478 -1.125 1.00 0.00 H new ATOM 1330 N GLN A 95 22.453 20.257 -8.117 1.00 0.00 N ATOM 1331 CA GLN A 95 23.800 20.458 -8.636 1.00 0.00 C ATOM 1332 C GLN A 95 24.213 21.922 -8.527 1.00 0.00 C ATOM 1333 O GLN A 95 24.090 22.686 -9.485 1.00 0.00 O ATOM 1334 CB GLN A 95 23.881 20.000 -10.094 1.00 0.00 C ATOM 1335 CG GLN A 95 24.359 18.566 -10.255 1.00 0.00 C ATOM 1336 CD GLN A 95 23.824 17.648 -9.174 1.00 0.00 C ATOM 1337 OE1 GLN A 95 22.515 17.686 -8.958 1.00 0.00 O flip ATOM 1338 NE2 GLN A 95 24.580 16.912 -8.538 1.00 0.00 N flip ATOM 0 H GLN A 95 21.711 20.401 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 95 24.486 19.861 -8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.897 20.100 -10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.555 20.662 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.049 18.191 -11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.449 18.546 -10.237 1.00 0.00 H new ATOM 0 HE21 GLN A 95 25.580 16.914 -8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 95 24.205 16.300 -7.813 1.00 0.00 H new ATOM 1347 N LYS A 96 24.703 22.308 -7.354 1.00 0.00 N ATOM 1348 CA LYS A 96 25.135 23.680 -7.119 1.00 0.00 C ATOM 1349 C LYS A 96 26.229 24.083 -8.103 1.00 0.00 C ATOM 1350 O LYS A 96 26.067 25.030 -8.874 1.00 0.00 O ATOM 1351 CB LYS A 96 25.644 23.838 -5.684 1.00 0.00 C ATOM 1352 CG LYS A 96 25.505 25.249 -5.141 1.00 0.00 C ATOM 1353 CD LYS A 96 24.061 25.576 -4.800 1.00 0.00 C ATOM 1354 CE LYS A 96 23.961 26.819 -3.929 1.00 0.00 C ATOM 1355 NZ LYS A 96 24.229 28.062 -4.705 1.00 0.00 N ATOM 0 H LYS A 96 24.811 21.689 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 96 24.276 24.334 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 96 25.097 23.153 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 96 26.693 23.545 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 96 26.124 25.360 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 96 25.876 25.961 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 96 23.495 25.728 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 96 23.608 24.730 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 96 22.966 26.874 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 96 24.672 26.744 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 24.151 28.887 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 25.188 28.021 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 23.535 28.147 -5.475 1.00 0.00 H new ATOM 1369 N LYS A 97 27.341 23.358 -8.074 1.00 0.00 N ATOM 1370 CA LYS A 97 28.461 23.637 -8.966 1.00 0.00 C ATOM 1371 C LYS A 97 28.317 22.870 -10.276 1.00 0.00 C ATOM 1372 O LYS A 97 28.674 21.695 -10.361 1.00 0.00 O ATOM 1373 CB LYS A 97 29.783 23.267 -8.289 1.00 0.00 C ATOM 1374 CG LYS A 97 30.995 23.437 -9.189 1.00 0.00 C ATOM 1375 CD LYS A 97 31.463 24.882 -9.227 1.00 0.00 C ATOM 1376 CE LYS A 97 32.431 25.185 -8.094 1.00 0.00 C ATOM 1377 NZ LYS A 97 31.724 25.664 -6.874 1.00 0.00 N ATOM 0 H LYS A 97 27.492 22.572 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 97 28.459 24.704 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 97 29.912 23.884 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 97 29.732 22.231 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 97 31.805 22.800 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 97 30.749 23.107 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 97 31.946 25.084 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 97 30.602 25.546 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 97 33.002 24.288 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 97 33.146 25.940 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 32.309 26.375 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 30.815 26.090 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 31.554 24.862 -6.234 1.00 0.00 H new ATOM 1391 N ARG A 98 27.793 23.542 -11.296 1.00 0.00 N ATOM 1392 CA ARG A 98 27.602 22.924 -12.602 1.00 0.00 C ATOM 1393 C ARG A 98 28.130 23.827 -13.713 1.00 0.00 C ATOM 1394 O ARG A 98 28.626 23.348 -14.733 1.00 0.00 O ATOM 1395 CB ARG A 98 26.121 22.622 -12.836 1.00 0.00 C ATOM 1396 CG ARG A 98 25.243 23.862 -12.859 1.00 0.00 C ATOM 1397 CD ARG A 98 25.075 24.400 -14.272 1.00 0.00 C ATOM 1398 NE ARG A 98 23.930 23.801 -14.953 1.00 0.00 N ATOM 1399 CZ ARG A 98 22.671 23.984 -14.572 1.00 0.00 C ATOM 1400 NH1 ARG A 98 22.396 24.745 -13.521 1.00 0.00 N ATOM 1401 NH2 ARG A 98 21.683 23.406 -15.243 1.00 0.00 N ATOM 0 H ARG A 98 27.493 24.515 -11.243 1.00 0.00 H new ATOM 0 HA ARG A 98 28.163 21.990 -12.619 1.00 0.00 H new ATOM 0 HB2 ARG A 98 26.012 22.092 -13.782 1.00 0.00 H new ATOM 0 HB3 ARG A 98 25.767 21.951 -12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 98 24.265 23.624 -12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 98 25.683 24.632 -12.225 1.00 0.00 H new ATOM 0 HD2 ARG A 98 24.950 25.482 -14.235 1.00 0.00 H new ATOM 0 HD3 ARG A 98 25.981 24.203 -14.845 1.00 0.00 H new ATOM 0 HE ARG A 98 24.107 23.210 -15.765 1.00 0.00 H new ATOM 0 HH11 ARG A 98 23.153 25.192 -13.003 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.428 24.884 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.890 22.821 -16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.716 23.547 -14.950 1.00 0.00 H new ATOM 1415 N SER A 99 28.018 25.135 -13.509 1.00 0.00 N ATOM 1416 CA SER A 99 28.479 26.105 -14.495 1.00 0.00 C ATOM 1417 C SER A 99 28.483 27.515 -13.910 1.00 0.00 C ATOM 1418 O SER A 99 27.431 28.074 -13.605 1.00 0.00 O ATOM 1419 CB SER A 99 27.592 26.060 -15.740 1.00 0.00 C ATOM 1420 OG SER A 99 27.897 24.932 -16.543 1.00 0.00 O ATOM 0 H SER A 99 27.612 25.548 -12.669 1.00 0.00 H new ATOM 0 HA SER A 99 29.499 25.844 -14.775 1.00 0.00 H new ATOM 0 HB2 SER A 99 26.544 26.026 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 99 27.729 26.972 -16.321 1.00 0.00 H new ATOM 0 HG SER A 99 28.492 24.330 -16.049 1.00 0.00 H new ATOM 1426 N GLY A 100 29.675 28.082 -13.758 1.00 0.00 N ATOM 1427 CA GLY A 100 29.795 29.421 -13.211 1.00 0.00 C ATOM 1428 C GLY A 100 30.972 30.181 -13.790 1.00 0.00 C ATOM 1429 O GLY A 100 32.055 30.229 -13.207 1.00 0.00 O ATOM 0 H GLY A 100 30.560 27.638 -14.004 1.00 0.00 H new ATOM 0 HA2 GLY A 100 28.877 29.974 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 100 29.904 29.359 -12.128 1.00 0.00 H new ATOM 1433 N PRO A 101 30.766 30.792 -14.966 1.00 0.00 N ATOM 1434 CA PRO A 101 31.807 31.563 -15.651 1.00 0.00 C ATOM 1435 C PRO A 101 32.139 32.862 -14.924 1.00 0.00 C ATOM 1436 O PRO A 101 33.308 33.215 -14.767 1.00 0.00 O ATOM 1437 CB PRO A 101 31.187 31.860 -17.019 1.00 0.00 C ATOM 1438 CG PRO A 101 29.717 31.812 -16.787 1.00 0.00 C ATOM 1439 CD PRO A 101 29.500 30.777 -15.718 1.00 0.00 C ATOM 0 HA PRO A 101 32.749 31.018 -15.704 1.00 0.00 H new ATOM 0 HB2 PRO A 101 31.497 32.837 -17.391 1.00 0.00 H new ATOM 0 HB3 PRO A 101 31.495 31.124 -17.761 1.00 0.00 H new ATOM 0 HG2 PRO A 101 29.340 32.785 -16.471 1.00 0.00 H new ATOM 0 HG3 PRO A 101 29.186 31.546 -17.701 1.00 0.00 H new ATOM 0 HD2 PRO A 101 28.652 31.029 -15.082 1.00 0.00 H new ATOM 0 HD3 PRO A 101 29.298 29.795 -16.145 1.00 0.00 H new ATOM 1447 N SER A 102 31.104 33.569 -14.481 1.00 0.00 N ATOM 1448 CA SER A 102 31.286 34.830 -13.773 1.00 0.00 C ATOM 1449 C SER A 102 30.094 35.121 -12.867 1.00 0.00 C ATOM 1450 O SER A 102 29.093 34.405 -12.889 1.00 0.00 O ATOM 1451 CB SER A 102 31.475 35.976 -14.769 1.00 0.00 C ATOM 1452 OG SER A 102 30.384 36.054 -15.670 1.00 0.00 O ATOM 0 H SER A 102 30.130 33.289 -14.600 1.00 0.00 H new ATOM 0 HA SER A 102 32.179 34.745 -13.154 1.00 0.00 H new ATOM 0 HB2 SER A 102 31.573 36.918 -14.230 1.00 0.00 H new ATOM 0 HB3 SER A 102 32.401 35.829 -15.326 1.00 0.00 H new ATOM 0 HG SER A 102 30.528 36.795 -16.295 1.00 0.00 H new ATOM 1458 N SER A 103 30.209 36.179 -12.070 1.00 0.00 N ATOM 1459 CA SER A 103 29.143 36.564 -11.152 1.00 0.00 C ATOM 1460 C SER A 103 27.978 37.197 -11.907 1.00 0.00 C ATOM 1461 O SER A 103 28.176 37.921 -12.882 1.00 0.00 O ATOM 1462 CB SER A 103 29.675 37.540 -10.101 1.00 0.00 C ATOM 1463 OG SER A 103 30.060 38.768 -10.693 1.00 0.00 O ATOM 0 H SER A 103 31.029 36.785 -12.042 1.00 0.00 H new ATOM 0 HA SER A 103 28.784 35.664 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 103 28.909 37.721 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 103 30.528 37.097 -9.588 1.00 0.00 H new ATOM 0 HG SER A 103 30.395 39.375 -10.000 1.00 0.00 H new ATOM 1469 N GLY A 104 26.762 36.918 -11.448 1.00 0.00 N ATOM 1470 CA GLY A 104 25.582 37.467 -12.091 1.00 0.00 C ATOM 1471 C GLY A 104 24.310 37.160 -11.327 1.00 0.00 C ATOM 1472 O GLY A 104 24.374 36.952 -10.116 1.00 0.00 O ATOM 0 H GLY A 104 26.573 36.322 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 104 25.693 38.547 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.502 37.065 -13.101 1.00 0.00 H new TER 1476 GLY A 104 HETATM 1477 ZN ZN A 201 6.363 -2.215 -9.950 1.00 0.00 ZN HETATM 1478 ZN ZN A 401 20.784 9.250 -6.534 1.00 0.00 ZN