USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 555 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 59 GLN : amide:sc= 0.107 X(o=0.21,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.102 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -146:sc= -0.34 (180deg=-2.55!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 2 SER OG : rot -25:sc= 0.0913 USER MOD Single : A 3 HIS : no HE2:sc= 0.799 K(o=0.8,f=-2.5!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 73:sc= 0.883 USER MOD Single : A 8 SER OG : rot 75:sc= 0.0012 USER MOD Single : A 12 SER OG : rot 74:sc= 0.829 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 151:sc= 0.305 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0.0754 (180deg=0.0453) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 154:sc= 1.65 USER MOD Single : A 57 ASN : amide:sc= 0.992 K(o=0.99,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.817 K(o=0.82,f=-0.03) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0743 X(o=-0.074,f=-0.074) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 81 HIS : no HE2:sc= 0.341 K(o=0.34,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 18.577 15.893 -7.749 1.00 1.00 N ATOM 9 CA SER A 2 17.850 15.302 -6.611 1.00 1.00 C ATOM 10 C SER A 2 16.452 14.783 -6.970 1.00 1.00 C ATOM 11 O SER A 2 16.044 13.732 -6.478 1.00 1.00 O ATOM 12 CB SER A 2 17.760 16.307 -5.457 1.00 1.00 C ATOM 13 OG SER A 2 17.147 17.516 -5.882 1.00 1.00 O ATOM 0 HA SER A 2 18.429 14.431 -6.304 1.00 1.00 H new ATOM 0 HB2 SER A 2 17.188 15.874 -4.636 1.00 1.00 H new ATOM 0 HB3 SER A 2 18.759 16.516 -5.074 1.00 1.00 H new ATOM 0 HG SER A 2 17.269 17.622 -6.849 1.00 1.00 H new ATOM 19 N HIS A 3 15.738 15.445 -7.885 1.00 1.00 N ATOM 20 CA HIS A 3 14.422 15.006 -8.364 1.00 1.00 C ATOM 21 C HIS A 3 14.451 13.655 -9.105 1.00 1.00 C ATOM 22 O HIS A 3 13.468 12.913 -9.063 1.00 1.00 O ATOM 23 CB HIS A 3 13.803 16.106 -9.236 1.00 1.00 C ATOM 24 CG HIS A 3 13.593 17.418 -8.514 1.00 1.00 C ATOM 25 ND1 HIS A 3 13.420 17.607 -7.158 1.00 1.00 N ATOM 26 CD2 HIS A 3 13.530 18.654 -9.098 1.00 1.00 C ATOM 27 CE1 HIS A 3 13.266 18.921 -6.930 1.00 1.00 C ATOM 28 NE2 HIS A 3 13.323 19.606 -8.088 1.00 1.00 N ATOM 0 H HIS A 3 16.060 16.310 -8.319 1.00 1.00 H new ATOM 0 HA HIS A 3 13.800 14.836 -7.485 1.00 1.00 H new ATOM 0 HB2 HIS A 3 14.447 16.277 -10.099 1.00 1.00 H new ATOM 0 HB3 HIS A 3 12.844 15.756 -9.618 1.00 1.00 H new ATOM 0 HD1 HIS A 3 13.411 16.873 -6.450 1.00 1.00 H new ATOM 0 HD2 HIS A 3 13.623 18.861 -10.154 1.00 1.00 H new ATOM 0 HE1 HIS A 3 13.118 19.365 -5.957 1.00 1.00 H new ATOM 36 N MET A 4 15.577 13.285 -9.731 1.00 1.00 N ATOM 37 CA MET A 4 15.760 11.953 -10.327 1.00 1.00 C ATOM 38 C MET A 4 15.928 10.877 -9.245 1.00 1.00 C ATOM 39 O MET A 4 15.350 9.795 -9.354 1.00 1.00 O ATOM 40 CB MET A 4 16.974 11.937 -11.273 1.00 1.00 C ATOM 41 CG MET A 4 16.847 12.955 -12.412 1.00 1.00 C ATOM 42 SD MET A 4 18.239 12.931 -13.575 1.00 1.00 S ATOM 43 CE MET A 4 17.707 14.248 -14.704 1.00 1.00 C ATOM 0 H MET A 4 16.385 13.898 -9.839 1.00 1.00 H new ATOM 0 HA MET A 4 14.862 11.727 -10.902 1.00 1.00 H new ATOM 0 HB2 MET A 4 17.878 12.148 -10.702 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.089 10.938 -11.694 1.00 1.00 H new ATOM 0 HG2 MET A 4 15.925 12.760 -12.960 1.00 1.00 H new ATOM 0 HG3 MET A 4 16.759 13.954 -11.985 1.00 1.00 H new ATOM 0 HE1 MET A 4 18.450 14.374 -15.492 1.00 1.00 H new ATOM 0 HE2 MET A 4 16.748 13.981 -15.149 1.00 1.00 H new ATOM 0 HE3 MET A 4 17.603 15.181 -14.151 1.00 1.00 H new ATOM 53 N LEU A 5 16.659 11.183 -8.165 1.00 1.00 N ATOM 54 CA LEU A 5 16.813 10.294 -7.005 1.00 1.00 C ATOM 55 C LEU A 5 15.481 10.109 -6.254 1.00 1.00 C ATOM 56 O LEU A 5 15.134 8.992 -5.872 1.00 1.00 O ATOM 57 CB LEU A 5 17.906 10.839 -6.065 1.00 1.00 C ATOM 58 CG LEU A 5 19.293 11.014 -6.716 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.259 11.650 -5.716 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.893 9.687 -7.184 1.00 1.00 C ATOM 0 H LEU A 5 17.165 12.063 -8.071 1.00 1.00 H new ATOM 0 HA LEU A 5 17.118 9.312 -7.366 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.580 11.803 -5.673 1.00 1.00 H new ATOM 0 HB3 LEU A 5 18.002 10.165 -5.214 1.00 1.00 H new ATOM 0 HG LEU A 5 19.152 11.653 -7.588 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.237 11.771 -6.182 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.878 12.625 -5.412 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.351 11.008 -4.840 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.869 9.868 -7.634 1.00 1.00 H new ATOM 0 HD22 LEU A 5 20.005 9.018 -6.331 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.233 9.229 -7.920 1.00 1.00 H new ATOM 72 N GLU A 6 14.697 11.180 -6.103 1.00 1.00 N ATOM 73 CA GLU A 6 13.331 11.125 -5.562 1.00 1.00 C ATOM 74 C GLU A 6 12.383 10.302 -6.449 1.00 1.00 C ATOM 75 O GLU A 6 11.574 9.530 -5.930 1.00 1.00 O ATOM 76 CB GLU A 6 12.771 12.546 -5.381 1.00 1.00 C ATOM 77 CG GLU A 6 13.458 13.324 -4.250 1.00 1.00 C ATOM 78 CD GLU A 6 12.944 14.767 -4.180 1.00 1.00 C ATOM 79 OE1 GLU A 6 13.340 15.581 -5.051 1.00 1.00 O ATOM 80 OE2 GLU A 6 12.145 15.065 -3.259 1.00 1.00 O ATOM 0 H GLU A 6 14.994 12.123 -6.355 1.00 1.00 H new ATOM 0 HA GLU A 6 13.392 10.627 -4.594 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.885 13.097 -6.315 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.702 12.486 -5.175 1.00 1.00 H new ATOM 0 HG2 GLU A 6 13.277 12.824 -3.299 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.536 13.326 -4.409 1.00 1.00 H new ATOM 87 N SER A 7 12.509 10.399 -7.778 1.00 1.00 N ATOM 88 CA SER A 7 11.763 9.546 -8.717 1.00 1.00 C ATOM 89 C SER A 7 12.132 8.066 -8.558 1.00 1.00 C ATOM 90 O SER A 7 11.241 7.217 -8.516 1.00 1.00 O ATOM 91 CB SER A 7 11.983 9.980 -10.171 1.00 1.00 C ATOM 92 OG SER A 7 11.520 11.304 -10.386 1.00 1.00 O ATOM 0 H SER A 7 13.129 11.069 -8.234 1.00 1.00 H new ATOM 0 HA SER A 7 10.708 9.667 -8.472 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.043 9.918 -10.415 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.461 9.296 -10.841 1.00 1.00 H new ATOM 0 HG SER A 7 12.134 11.938 -9.960 1.00 1.00 H new ATOM 98 N SER A 8 13.419 7.740 -8.384 1.00 1.00 N ATOM 99 CA SER A 8 13.872 6.366 -8.112 1.00 1.00 C ATOM 100 C SER A 8 13.359 5.831 -6.770 1.00 1.00 C ATOM 101 O SER A 8 12.966 4.666 -6.685 1.00 1.00 O ATOM 102 CB SER A 8 15.403 6.272 -8.142 1.00 1.00 C ATOM 103 OG SER A 8 15.888 6.519 -9.453 1.00 1.00 O ATOM 0 H SER A 8 14.178 8.420 -8.427 1.00 1.00 H new ATOM 0 HA SER A 8 13.452 5.748 -8.905 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.832 6.994 -7.447 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.720 5.283 -7.810 1.00 1.00 H new ATOM 0 HG SER A 8 15.835 7.478 -9.646 1.00 1.00 H new ATOM 109 N ALA A 9 13.303 6.668 -5.729 1.00 1.00 N ATOM 110 CA ALA A 9 12.712 6.311 -4.438 1.00 1.00 C ATOM 111 C ALA A 9 11.192 6.063 -4.536 1.00 1.00 C ATOM 112 O ALA A 9 10.685 5.091 -3.972 1.00 1.00 O ATOM 113 CB ALA A 9 13.038 7.414 -3.424 1.00 1.00 C ATOM 0 H ALA A 9 13.670 7.619 -5.760 1.00 1.00 H new ATOM 0 HA ALA A 9 13.145 5.368 -4.104 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.603 7.160 -2.457 1.00 1.00 H new ATOM 0 HB2 ALA A 9 14.119 7.507 -3.322 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.624 8.361 -3.771 1.00 1.00 H new ATOM 119 N GLU A 10 10.459 6.890 -5.289 1.00 1.00 N ATOM 120 CA GLU A 10 9.024 6.702 -5.544 1.00 1.00 C ATOM 121 C GLU A 10 8.741 5.430 -6.364 1.00 1.00 C ATOM 122 O GLU A 10 7.833 4.670 -6.036 1.00 1.00 O ATOM 123 CB GLU A 10 8.466 7.956 -6.243 1.00 1.00 C ATOM 124 CG GLU A 10 6.936 7.970 -6.390 1.00 1.00 C ATOM 125 CD GLU A 10 6.223 8.090 -5.036 1.00 1.00 C ATOM 126 OE1 GLU A 10 5.995 9.239 -4.590 1.00 1.00 O ATOM 127 OE2 GLU A 10 5.907 7.033 -4.438 1.00 1.00 O ATOM 0 H GLU A 10 10.847 7.717 -5.743 1.00 1.00 H new ATOM 0 HA GLU A 10 8.518 6.566 -4.588 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.773 8.838 -5.681 1.00 1.00 H new ATOM 0 HB3 GLU A 10 8.915 8.036 -7.233 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.642 8.803 -7.028 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.613 7.057 -6.889 1.00 1.00 H new ATOM 134 N GLU A 11 9.548 5.142 -7.390 1.00 1.00 N ATOM 135 CA GLU A 11 9.466 3.891 -8.159 1.00 1.00 C ATOM 136 C GLU A 11 9.813 2.654 -7.313 1.00 1.00 C ATOM 137 O GLU A 11 9.186 1.604 -7.465 1.00 1.00 O ATOM 138 CB GLU A 11 10.383 3.970 -9.390 1.00 1.00 C ATOM 139 CG GLU A 11 9.814 4.894 -10.477 1.00 1.00 C ATOM 140 CD GLU A 11 10.815 5.079 -11.624 1.00 1.00 C ATOM 141 OE1 GLU A 11 10.905 4.163 -12.478 1.00 1.00 O ATOM 142 OE2 GLU A 11 11.493 6.135 -11.661 1.00 1.00 O ATOM 0 H GLU A 11 10.282 5.772 -7.714 1.00 1.00 H new ATOM 0 HA GLU A 11 8.431 3.776 -8.480 1.00 1.00 H new ATOM 0 HB2 GLU A 11 11.366 4.331 -9.087 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.523 2.970 -9.802 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.885 4.475 -10.865 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.570 5.864 -10.043 1.00 1.00 H new ATOM 149 N SER A 12 10.755 2.775 -6.371 1.00 1.00 N ATOM 150 CA SER A 12 11.048 1.717 -5.393 1.00 1.00 C ATOM 151 C SER A 12 9.877 1.486 -4.434 1.00 1.00 C ATOM 152 O SER A 12 9.549 0.342 -4.121 1.00 1.00 O ATOM 153 CB SER A 12 12.315 2.033 -4.588 1.00 1.00 C ATOM 154 OG SER A 12 13.447 2.137 -5.438 1.00 1.00 O ATOM 0 H SER A 12 11.336 3.607 -6.264 1.00 1.00 H new ATOM 0 HA SER A 12 11.211 0.804 -5.966 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.179 2.966 -4.042 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.483 1.252 -3.847 1.00 1.00 H new ATOM 0 HG SER A 12 13.405 2.979 -5.937 1.00 1.00 H new ATOM 160 N LEU A 13 9.184 2.547 -4.005 1.00 1.00 N ATOM 161 CA LEU A 13 7.984 2.428 -3.173 1.00 1.00 C ATOM 162 C LEU A 13 6.795 1.833 -3.947 1.00 1.00 C ATOM 163 O LEU A 13 6.067 1.002 -3.409 1.00 1.00 O ATOM 164 CB LEU A 13 7.652 3.799 -2.561 1.00 1.00 C ATOM 165 CG LEU A 13 6.406 3.794 -1.654 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.491 2.739 -0.549 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.244 5.168 -1.007 1.00 1.00 C ATOM 0 H LEU A 13 9.440 3.510 -4.225 1.00 1.00 H new ATOM 0 HA LEU A 13 8.188 1.725 -2.365 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.509 4.145 -1.982 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.500 4.518 -3.366 1.00 1.00 H new ATOM 0 HG LEU A 13 5.550 3.553 -2.284 1.00 1.00 H new ATOM 0 HD11 LEU A 13 5.589 2.778 0.061 1.00 1.00 H new ATOM 0 HD12 LEU A 13 6.584 1.750 -0.997 1.00 1.00 H new ATOM 0 HD13 LEU A 13 7.361 2.937 0.077 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.363 5.166 -0.365 1.00 1.00 H new ATOM 0 HD22 LEU A 13 7.127 5.396 -0.410 1.00 1.00 H new ATOM 0 HD23 LEU A 13 6.126 5.924 -1.783 1.00 1.00 H new ATOM 179 N ALA A 14 6.631 2.176 -5.225 1.00 1.00 N ATOM 180 CA ALA A 14 5.671 1.515 -6.110 1.00 1.00 C ATOM 181 C ALA A 14 5.936 -0.001 -6.223 1.00 1.00 C ATOM 182 O ALA A 14 4.995 -0.791 -6.287 1.00 1.00 O ATOM 183 CB ALA A 14 5.675 2.212 -7.475 1.00 1.00 C ATOM 0 H ALA A 14 7.161 2.921 -5.677 1.00 1.00 H new ATOM 0 HA ALA A 14 4.674 1.606 -5.679 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.961 1.721 -8.136 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.395 3.258 -7.350 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.672 2.153 -7.911 1.00 1.00 H new ATOM 189 N TYR A 15 7.206 -0.417 -6.215 1.00 1.00 N ATOM 190 CA TYR A 15 7.592 -1.835 -6.238 1.00 1.00 C ATOM 191 C TYR A 15 7.306 -2.534 -4.896 1.00 1.00 C ATOM 192 O TYR A 15 6.771 -3.644 -4.877 1.00 1.00 O ATOM 193 CB TYR A 15 9.068 -1.968 -6.635 1.00 1.00 C ATOM 194 CG TYR A 15 9.513 -3.409 -6.785 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.096 -4.153 -7.906 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.305 -4.017 -5.791 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.466 -5.506 -8.031 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.681 -5.370 -5.917 1.00 1.00 C ATOM 199 CZ TYR A 15 10.260 -6.118 -7.039 1.00 1.00 C ATOM 200 OH TYR A 15 10.613 -7.427 -7.169 1.00 1.00 O ATOM 0 H TYR A 15 8.001 0.222 -6.192 1.00 1.00 H new ATOM 0 HA TYR A 15 6.981 -2.340 -6.986 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.234 -1.442 -7.575 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.687 -1.479 -5.882 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.492 -3.686 -8.670 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.624 -3.446 -4.932 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.141 -6.076 -8.889 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.291 -5.834 -5.156 1.00 1.00 H new ATOM 0 HH TYR A 15 11.161 -7.696 -6.402 1.00 1.00 H new ATOM 210 N ARG A 16 7.578 -1.863 -3.765 1.00 1.00 N ATOM 211 CA ARG A 16 7.178 -2.323 -2.419 1.00 1.00 C ATOM 212 C ARG A 16 5.660 -2.467 -2.282 1.00 1.00 C ATOM 213 O ARG A 16 5.191 -3.428 -1.679 1.00 1.00 O ATOM 214 CB ARG A 16 7.715 -1.360 -1.346 1.00 1.00 C ATOM 215 CG ARG A 16 9.245 -1.408 -1.196 1.00 1.00 C ATOM 216 CD ARG A 16 9.776 -0.272 -0.311 1.00 1.00 C ATOM 217 NE ARG A 16 9.227 -0.323 1.057 1.00 1.00 N ATOM 218 CZ ARG A 16 9.287 0.644 1.959 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.878 1.788 1.730 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.743 0.480 3.134 1.00 1.00 N ATOM 0 H ARG A 16 8.086 -0.978 -3.756 1.00 1.00 H new ATOM 0 HA ARG A 16 7.614 -3.311 -2.274 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.413 -0.343 -1.597 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.255 -1.602 -0.388 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.537 -2.367 -0.767 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.707 -1.345 -2.181 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.864 -0.328 -0.266 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.525 0.687 -0.765 1.00 1.00 H new ATOM 0 HE ARG A 16 8.757 -1.185 1.334 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.317 1.963 0.826 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.900 2.505 2.455 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.270 -0.395 3.359 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.791 1.227 3.827 1.00 1.00 H new ATOM 234 N GLU A 17 4.886 -1.550 -2.862 1.00 1.00 N ATOM 235 CA GLU A 17 3.427 -1.662 -2.945 1.00 1.00 C ATOM 236 C GLU A 17 2.980 -2.814 -3.858 1.00 1.00 C ATOM 237 O GLU A 17 2.103 -3.577 -3.472 1.00 1.00 O ATOM 238 CB GLU A 17 2.835 -0.313 -3.382 1.00 1.00 C ATOM 239 CG GLU A 17 1.313 -0.260 -3.210 1.00 1.00 C ATOM 240 CD GLU A 17 0.776 1.132 -3.558 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.684 1.450 -4.766 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.456 1.889 -2.613 1.00 1.00 O ATOM 0 H GLU A 17 5.255 -0.702 -3.291 1.00 1.00 H new ATOM 0 HA GLU A 17 3.043 -1.908 -1.955 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.292 0.487 -2.799 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.086 -0.130 -4.427 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.844 -1.007 -3.850 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.049 -0.510 -2.182 1.00 1.00 H new ATOM 249 N ASP A 18 3.605 -3.013 -5.021 1.00 1.00 N ATOM 250 CA ASP A 18 3.304 -4.149 -5.903 1.00 1.00 C ATOM 251 C ASP A 18 3.628 -5.518 -5.272 1.00 1.00 C ATOM 252 O ASP A 18 2.970 -6.504 -5.592 1.00 1.00 O ATOM 253 CB ASP A 18 4.028 -3.970 -7.243 1.00 1.00 C ATOM 254 CG ASP A 18 3.531 -4.984 -8.276 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.317 -4.937 -8.588 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.359 -5.792 -8.761 1.00 1.00 O ATOM 0 H ASP A 18 4.333 -2.394 -5.379 1.00 1.00 H new ATOM 0 HA ASP A 18 2.227 -4.151 -6.068 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.867 -2.958 -7.615 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.102 -4.089 -7.099 1.00 1.00 H new ATOM 273 N LEU A 20 2.752 -6.230 -2.258 1.00 1.00 N ATOM 274 CA LEU A 20 1.492 -6.479 -1.543 1.00 1.00 C ATOM 275 C LEU A 20 0.457 -7.243 -2.397 1.00 1.00 C ATOM 276 O LEU A 20 -0.485 -7.811 -1.846 1.00 1.00 O ATOM 277 CB LEU A 20 0.884 -5.169 -1.001 1.00 1.00 C ATOM 278 CG LEU A 20 1.844 -4.228 -0.248 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.080 -2.993 0.234 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.532 -4.885 0.949 1.00 1.00 C ATOM 0 HA LEU A 20 1.746 -7.121 -0.700 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.454 -4.620 -1.839 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.062 -5.425 -0.332 1.00 1.00 H new ATOM 0 HG LEU A 20 2.626 -3.957 -0.957 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.761 -2.329 0.766 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.658 -2.469 -0.623 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.276 -3.301 0.903 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.192 -4.164 1.430 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.779 -5.220 1.662 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.116 -5.740 0.609 1.00 1.00 H new ATOM 292 N ARG A 21 0.644 -7.328 -3.725 1.00 1.00 N ATOM 293 CA ARG A 21 -0.163 -8.176 -4.638 1.00 1.00 C ATOM 294 C ARG A 21 -0.046 -9.685 -4.339 1.00 1.00 C ATOM 295 O ARG A 21 -0.821 -10.483 -4.863 1.00 1.00 O ATOM 296 CB ARG A 21 0.213 -7.870 -6.102 1.00 1.00 C ATOM 297 CG ARG A 21 -0.935 -8.155 -7.085 1.00 1.00 C ATOM 298 CD ARG A 21 -0.467 -8.220 -8.542 1.00 1.00 C ATOM 299 NE ARG A 21 -0.025 -6.907 -9.047 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.284 -6.392 -10.237 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.978 -7.020 -11.150 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.153 -5.203 -10.535 1.00 1.00 N ATOM 0 H ARG A 21 1.372 -6.802 -4.209 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.210 -7.923 -4.468 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.505 -6.823 -6.186 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.081 -8.467 -6.382 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.410 -9.099 -6.818 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.693 -7.378 -6.986 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.352 -8.934 -8.627 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.280 -8.592 -9.166 1.00 1.00 H new ATOM 0 HE ARG A 21 0.538 -6.338 -8.414 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.347 -7.951 -10.959 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.150 -6.578 -12.053 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.693 -4.672 -9.852 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.045 -4.802 -11.452 1.00 1.00 H new ATOM 316 N GLY A 22 0.894 -10.090 -3.483 1.00 1.00 N ATOM 317 CA GLY A 22 1.015 -11.454 -2.953 1.00 1.00 C ATOM 318 C GLY A 22 0.506 -11.609 -1.514 1.00 1.00 C ATOM 319 O GLY A 22 0.882 -12.575 -0.845 1.00 1.00 O ATOM 0 H GLY A 22 1.614 -9.461 -3.128 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.461 -12.135 -3.599 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.061 -11.757 -2.993 1.00 1.00 H new ATOM 323 N ARG A 23 -0.310 -10.664 -1.013 1.00 1.00 N ATOM 324 CA ARG A 23 -0.725 -10.573 0.400 1.00 1.00 C ATOM 325 C ARG A 23 -2.237 -10.393 0.585 1.00 1.00 C ATOM 326 O ARG A 23 -2.968 -9.958 -0.309 1.00 1.00 O ATOM 327 CB ARG A 23 0.029 -9.434 1.106 1.00 1.00 C ATOM 328 CG ARG A 23 1.556 -9.544 0.993 1.00 1.00 C ATOM 329 CD ARG A 23 2.185 -8.539 1.958 1.00 1.00 C ATOM 330 NE ARG A 23 3.620 -8.342 1.693 1.00 1.00 N ATOM 331 CZ ARG A 23 4.476 -7.717 2.485 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.146 -7.250 3.662 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.709 -7.538 2.102 1.00 1.00 N ATOM 0 H ARG A 23 -0.709 -9.925 -1.592 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.468 -11.530 0.854 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.290 -8.481 0.683 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.249 -9.424 2.160 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.882 -10.556 1.234 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.876 -9.340 -0.029 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.667 -7.584 1.875 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.050 -8.887 2.982 1.00 1.00 H new ATOM 0 HE ARG A 23 3.987 -8.722 0.820 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.192 -7.361 4.006 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.843 -6.775 4.236 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.015 -7.880 1.191 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.368 -7.056 2.713 1.00 1.00 H new ATOM 347 N LEU A 24 -2.679 -10.720 1.796 1.00 1.00 N ATOM 348 CA LEU A 24 -4.066 -10.684 2.268 1.00 1.00 C ATOM 349 C LEU A 24 -4.287 -9.413 3.111 1.00 1.00 C ATOM 350 O LEU A 24 -3.370 -8.924 3.776 1.00 1.00 O ATOM 351 CB LEU A 24 -4.265 -11.971 3.100 1.00 1.00 C ATOM 352 CG LEU A 24 -5.715 -12.455 3.269 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.241 -13.095 1.982 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.769 -13.535 4.351 1.00 1.00 C ATOM 0 H LEU A 24 -2.039 -11.038 2.523 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.787 -10.649 1.451 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.689 -12.771 2.635 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.841 -11.807 4.091 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.320 -11.587 3.530 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.268 -13.427 2.134 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.212 -12.364 1.174 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.618 -13.951 1.720 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.796 -13.878 4.471 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.138 -14.374 4.059 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.411 -13.123 5.295 1.00 1.00 H new ATOM 366 N GLY A 25 -5.508 -8.889 3.105 1.00 1.00 N ATOM 367 CA GLY A 25 -5.906 -7.636 3.749 1.00 1.00 C ATOM 368 C GLY A 25 -7.303 -7.653 4.381 1.00 1.00 C ATOM 369 O GLY A 25 -7.976 -8.686 4.440 1.00 1.00 O ATOM 0 H GLY A 25 -6.286 -9.346 2.629 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.176 -7.393 4.521 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.867 -6.836 3.010 1.00 1.00 H new ATOM 373 N LYS A 26 -7.731 -6.478 4.852 1.00 1.00 N ATOM 374 CA LYS A 26 -8.930 -6.212 5.652 1.00 1.00 C ATOM 375 C LYS A 26 -9.545 -4.882 5.224 1.00 1.00 C ATOM 376 O LYS A 26 -8.892 -3.844 5.320 1.00 1.00 O ATOM 377 CB LYS A 26 -8.494 -6.184 7.127 1.00 1.00 C ATOM 378 CG LYS A 26 -9.588 -5.833 8.153 1.00 1.00 C ATOM 379 CD LYS A 26 -10.857 -6.702 8.149 1.00 1.00 C ATOM 380 CE LYS A 26 -10.648 -8.170 8.551 1.00 1.00 C ATOM 381 NZ LYS A 26 -10.001 -8.963 7.487 1.00 1.00 N ATOM 0 H LYS A 26 -7.207 -5.622 4.670 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.689 -6.981 5.508 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.086 -7.162 7.382 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.683 -5.463 7.231 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.147 -5.883 9.148 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.886 -4.798 7.988 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.585 -6.257 8.827 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.293 -6.674 7.151 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -10.038 -8.213 9.453 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -11.612 -8.616 8.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.370 -9.935 7.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -10.204 -8.533 6.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -8.973 -8.980 7.643 1.00 1.00 H new ATOM 395 N VAL A 27 -10.771 -4.919 4.703 1.00 1.00 N ATOM 396 CA VAL A 27 -11.506 -3.723 4.237 1.00 1.00 C ATOM 397 C VAL A 27 -12.040 -2.896 5.415 1.00 1.00 C ATOM 398 O VAL A 27 -12.648 -3.436 6.341 1.00 1.00 O ATOM 399 CB VAL A 27 -12.624 -4.108 3.242 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.541 -2.943 2.861 1.00 1.00 C ATOM 401 CG2 VAL A 27 -11.955 -4.602 1.956 1.00 1.00 C ATOM 0 H VAL A 27 -11.296 -5.786 4.587 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.802 -3.087 3.700 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.240 -4.863 3.730 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.300 -3.291 2.160 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.026 -2.553 3.756 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.952 -2.153 2.395 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.720 -4.882 1.232 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.335 -3.808 1.540 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.333 -5.468 2.179 1.00 1.00 H new ATOM 411 N ILE A 28 -11.834 -1.576 5.348 1.00 1.00 N ATOM 412 CA ILE A 28 -12.115 -0.587 6.418 1.00 1.00 C ATOM 413 C ILE A 28 -13.048 0.555 5.970 1.00 1.00 C ATOM 414 O ILE A 28 -13.576 1.287 6.807 1.00 1.00 O ATOM 415 CB ILE A 28 -10.799 -0.026 7.002 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.065 0.863 5.963 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.965 -1.178 7.594 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.537 0.808 5.953 1.00 1.00 C ATOM 0 H ILE A 28 -11.449 -1.138 4.511 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.652 -1.126 7.199 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.003 0.649 7.833 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.420 0.586 4.970 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.365 1.897 6.131 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.037 -0.781 8.006 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.532 -1.669 8.385 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.735 -1.900 6.811 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.154 1.475 5.181 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.155 1.121 6.925 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.211 -0.211 5.746 1.00 1.00 H new ATOM 430 N THR A 29 -13.292 0.665 4.661 1.00 1.00 N ATOM 431 CA THR A 29 -14.310 1.519 4.026 1.00 1.00 C ATOM 432 C THR A 29 -14.849 0.710 2.851 1.00 1.00 C ATOM 433 O THR A 29 -14.057 0.211 2.052 1.00 1.00 O ATOM 434 CB THR A 29 -13.740 2.865 3.535 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.188 3.591 4.613 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.805 3.756 2.892 1.00 1.00 C ATOM 0 H THR A 29 -12.757 0.133 3.975 1.00 1.00 H new ATOM 0 HA THR A 29 -15.085 1.779 4.747 1.00 1.00 H new ATOM 0 HB THR A 29 -12.983 2.614 2.792 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.458 4.157 4.286 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.349 4.690 2.565 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.238 3.243 2.033 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.588 3.970 3.620 1.00 1.00 H new ATOM 444 N ALA A 30 -16.168 0.521 2.774 1.00 1.00 N ATOM 445 CA ALA A 30 -16.813 -0.403 1.842 1.00 1.00 C ATOM 446 C ALA A 30 -16.447 -0.133 0.371 1.00 1.00 C ATOM 447 O ALA A 30 -16.363 1.019 -0.061 1.00 1.00 O ATOM 448 CB ALA A 30 -18.329 -0.334 2.058 1.00 1.00 C ATOM 0 H ALA A 30 -16.830 1.017 3.371 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.447 -1.408 2.051 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.826 -1.018 1.370 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.564 -0.617 3.084 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.677 0.682 1.874 1.00 1.00 H new ATOM 454 N VAL A 31 -16.281 -1.206 -0.404 1.00 1.00 N ATOM 455 CA VAL A 31 -15.809 -1.182 -1.796 1.00 1.00 C ATOM 456 C VAL A 31 -16.912 -1.777 -2.683 1.00 1.00 C ATOM 457 O VAL A 31 -17.000 -3.000 -2.793 1.00 1.00 O ATOM 458 CB VAL A 31 -14.484 -1.961 -1.960 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.903 -1.710 -3.349 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.395 -1.607 -0.940 1.00 1.00 C ATOM 0 H VAL A 31 -16.477 -2.150 -0.071 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.603 -0.154 -2.094 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.755 -3.004 -1.799 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -12.969 -2.262 -3.458 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.613 -2.044 -4.106 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.712 -0.644 -3.476 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.505 -2.204 -1.136 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.148 -0.549 -1.024 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.758 -1.816 0.067 1.00 1.00 H new ATOM 470 N PRO A 32 -17.823 -0.968 -3.252 1.00 1.00 N ATOM 471 CA PRO A 32 -18.951 -1.483 -4.026 1.00 1.00 C ATOM 472 C PRO A 32 -18.517 -2.075 -5.377 1.00 1.00 C ATOM 473 O PRO A 32 -17.373 -1.924 -5.812 1.00 1.00 O ATOM 474 CB PRO A 32 -19.917 -0.305 -4.171 1.00 1.00 C ATOM 475 CG PRO A 32 -18.974 0.885 -4.179 1.00 1.00 C ATOM 476 CD PRO A 32 -17.878 0.485 -3.192 1.00 1.00 C ATOM 0 HA PRO A 32 -19.432 -2.321 -3.521 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.501 -0.368 -5.089 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.627 -0.256 -3.345 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.569 1.068 -5.174 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.480 1.799 -3.867 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.920 0.927 -3.467 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.111 0.829 -2.184 1.00 1.00 H new ATOM 484 N VAL A 33 -19.467 -2.726 -6.058 1.00 1.00 N ATOM 485 CA VAL A 33 -19.249 -3.552 -7.265 1.00 1.00 C ATOM 486 C VAL A 33 -18.571 -2.834 -8.441 1.00 1.00 C ATOM 487 O VAL A 33 -18.037 -3.492 -9.329 1.00 1.00 O ATOM 488 CB VAL A 33 -20.571 -4.186 -7.761 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.334 -4.906 -6.641 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.514 -3.167 -8.413 1.00 1.00 C ATOM 0 H VAL A 33 -20.447 -2.695 -5.778 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.552 -4.320 -6.929 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.261 -4.913 -8.512 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.253 -5.332 -7.043 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.713 -5.703 -6.232 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.579 -4.195 -5.852 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.423 -3.671 -8.741 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.769 -2.392 -7.690 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.021 -2.713 -9.273 1.00 1.00 H new ATOM 500 N ASP A 34 -18.603 -1.500 -8.474 1.00 1.00 N ATOM 501 CA ASP A 34 -18.018 -0.658 -9.528 1.00 1.00 C ATOM 502 C ASP A 34 -17.470 0.670 -8.949 1.00 1.00 C ATOM 503 O ASP A 34 -17.506 1.714 -9.603 1.00 1.00 O ATOM 504 CB ASP A 34 -19.081 -0.449 -10.625 1.00 1.00 C ATOM 505 CG ASP A 34 -18.526 0.214 -11.896 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.455 -0.231 -12.374 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.194 1.142 -12.414 1.00 1.00 O ATOM 0 H ASP A 34 -19.054 -0.953 -7.741 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.155 -1.152 -9.974 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.516 -1.414 -10.888 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.888 0.166 -10.226 1.00 1.00 H new ATOM 512 N GLY A 35 -17.006 0.642 -7.692 1.00 1.00 N ATOM 513 CA GLY A 35 -16.586 1.832 -6.934 1.00 1.00 C ATOM 514 C GLY A 35 -15.347 1.625 -6.055 1.00 1.00 C ATOM 515 O GLY A 35 -14.586 0.671 -6.239 1.00 1.00 O ATOM 0 H GLY A 35 -16.910 -0.224 -7.162 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.386 2.642 -7.636 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.414 2.155 -6.302 1.00 1.00 H new ATOM 519 N PHE A 36 -15.160 2.528 -5.086 1.00 1.00 N ATOM 520 CA PHE A 36 -13.942 2.652 -4.276 1.00 1.00 C ATOM 521 C PHE A 36 -14.242 2.668 -2.769 1.00 1.00 C ATOM 522 O PHE A 36 -15.244 3.232 -2.321 1.00 1.00 O ATOM 523 CB PHE A 36 -13.176 3.946 -4.624 1.00 1.00 C ATOM 524 CG PHE A 36 -12.835 4.185 -6.086 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.821 4.648 -6.979 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.515 4.007 -6.543 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.502 4.884 -8.328 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.193 4.252 -7.890 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.188 4.684 -8.785 1.00 1.00 C ATOM 0 H PHE A 36 -15.873 3.213 -4.836 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.336 1.776 -4.509 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.767 4.792 -4.273 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.246 3.950 -4.056 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.827 4.823 -6.626 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.747 3.681 -5.857 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.267 5.219 -9.013 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.181 4.108 -8.237 1.00 1.00 H new ATOM 0 HZ PHE A 36 -11.943 4.862 -9.822 1.00 1.00 H new ATOM 539 N GLY A 37 -13.327 2.086 -1.996 1.00 1.00 N ATOM 540 CA GLY A 37 -13.261 2.137 -0.533 1.00 1.00 C ATOM 541 C GLY A 37 -11.805 2.051 -0.064 1.00 1.00 C ATOM 542 O GLY A 37 -10.918 2.595 -0.721 1.00 1.00 O ATOM 0 H GLY A 37 -12.568 1.534 -2.395 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.712 3.062 -0.174 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.837 1.315 -0.107 1.00 1.00 H new ATOM 546 N GLU A 38 -11.537 1.383 1.058 1.00 1.00 N ATOM 547 CA GLU A 38 -10.198 1.309 1.675 1.00 1.00 C ATOM 548 C GLU A 38 -9.908 -0.054 2.318 1.00 1.00 C ATOM 549 O GLU A 38 -10.813 -0.762 2.762 1.00 1.00 O ATOM 550 CB GLU A 38 -10.036 2.396 2.753 1.00 1.00 C ATOM 551 CG GLU A 38 -9.871 3.816 2.208 1.00 1.00 C ATOM 552 CD GLU A 38 -9.816 4.834 3.353 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.711 5.040 3.909 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.886 5.405 3.678 1.00 1.00 O ATOM 0 H GLU A 38 -12.249 0.868 1.577 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.488 1.462 0.862 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.907 2.372 3.408 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.168 2.154 3.367 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.959 3.879 1.615 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.701 4.054 1.543 1.00 1.00 H new ATOM 561 N VAL A 39 -8.619 -0.383 2.425 1.00 1.00 N ATOM 562 CA VAL A 39 -8.078 -1.661 2.909 1.00 1.00 C ATOM 563 C VAL A 39 -6.756 -1.471 3.668 1.00 1.00 C ATOM 564 O VAL A 39 -6.040 -0.493 3.455 1.00 1.00 O ATOM 565 CB VAL A 39 -7.893 -2.606 1.696 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.705 -2.212 0.806 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.748 -4.077 2.084 1.00 1.00 C ATOM 0 H VAL A 39 -7.881 0.270 2.162 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.780 -2.100 3.618 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.818 -2.488 1.131 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.627 -2.911 -0.027 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.858 -1.204 0.420 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.786 -2.241 1.392 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.622 -4.680 1.185 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.877 -4.199 2.728 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.641 -4.403 2.617 1.00 1.00 H new ATOM 577 N VAL A 40 -6.410 -2.436 4.518 1.00 1.00 N ATOM 578 CA VAL A 40 -5.098 -2.582 5.188 1.00 1.00 C ATOM 579 C VAL A 40 -4.604 -4.011 4.957 1.00 1.00 C ATOM 580 O VAL A 40 -5.419 -4.929 4.950 1.00 1.00 O ATOM 581 CB VAL A 40 -5.163 -2.362 6.720 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.806 -1.888 7.248 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.211 -1.350 7.170 1.00 1.00 C ATOM 0 H VAL A 40 -7.060 -3.178 4.778 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.437 -1.824 4.767 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.444 -3.333 7.128 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.867 -1.738 8.326 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.048 -2.640 7.029 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.536 -0.949 6.765 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.186 -1.259 8.256 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -5.997 -0.381 6.720 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.199 -1.686 6.856 1.00 1.00 H new ATOM 593 N ILE A 41 -3.298 -4.239 4.803 1.00 1.00 N ATOM 594 CA ILE A 41 -2.733 -5.603 4.794 1.00 1.00 C ATOM 595 C ILE A 41 -2.775 -6.194 6.213 1.00 1.00 C ATOM 596 O ILE A 41 -2.660 -5.466 7.198 1.00 1.00 O ATOM 597 CB ILE A 41 -1.319 -5.579 4.177 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.369 -5.150 2.696 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.548 -6.907 4.299 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.228 -6.008 1.757 1.00 1.00 C ATOM 0 H ILE A 41 -2.606 -3.500 4.682 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.334 -6.261 4.167 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.770 -4.845 4.766 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.737 -4.125 2.651 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.350 -5.140 2.310 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.435 -6.801 3.840 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.431 -7.164 5.352 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.102 -7.697 3.792 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.179 -5.602 0.747 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.854 -7.032 1.755 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.262 -6.000 2.101 1.00 1.00 H new ATOM 612 N GLU A 42 -2.936 -7.515 6.319 1.00 1.00 N ATOM 613 CA GLU A 42 -3.216 -8.254 7.571 1.00 1.00 C ATOM 614 C GLU A 42 -2.200 -8.073 8.721 1.00 1.00 C ATOM 615 O GLU A 42 -2.534 -8.352 9.873 1.00 1.00 O ATOM 616 CB GLU A 42 -3.392 -9.752 7.255 1.00 1.00 C ATOM 617 CG GLU A 42 -4.767 -10.094 6.662 1.00 1.00 C ATOM 618 CD GLU A 42 -5.865 -10.142 7.733 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.474 -9.079 7.995 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.095 -11.240 8.293 1.00 1.00 O ATOM 0 H GLU A 42 -2.874 -8.131 5.508 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.134 -7.808 7.955 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.616 -10.062 6.555 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.245 -10.328 8.169 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.030 -9.352 5.908 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.713 -11.058 6.156 1.00 1.00 H new ATOM 681 N ILE A 48 0.136 -0.334 6.525 1.00 1.00 N ATOM 682 CA ILE A 48 -0.395 1.006 6.210 1.00 1.00 C ATOM 683 C ILE A 48 -1.646 0.875 5.323 1.00 1.00 C ATOM 684 O ILE A 48 -1.666 0.086 4.376 1.00 1.00 O ATOM 685 CB ILE A 48 0.714 1.860 5.534 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.905 2.077 6.502 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.165 3.215 5.046 1.00 1.00 C ATOM 688 CD1 ILE A 48 3.104 2.819 5.896 1.00 1.00 C ATOM 0 HA ILE A 48 -0.694 1.516 7.126 1.00 1.00 H new ATOM 0 HB ILE A 48 1.067 1.309 4.663 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.552 2.635 7.370 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.242 1.105 6.863 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.968 3.786 4.579 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.630 3.045 4.320 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.231 3.774 5.894 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.886 2.923 6.648 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.490 2.255 5.047 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.789 3.807 5.561 1.00 1.00 H new ATOM 700 N SER A 49 -2.693 1.647 5.634 1.00 1.00 N ATOM 701 CA SER A 49 -3.959 1.686 4.881 1.00 1.00 C ATOM 702 C SER A 49 -3.793 2.262 3.466 1.00 1.00 C ATOM 703 O SER A 49 -2.978 3.162 3.242 1.00 1.00 O ATOM 704 CB SER A 49 -4.992 2.552 5.614 1.00 1.00 C ATOM 705 OG SER A 49 -5.135 2.136 6.964 1.00 1.00 O ATOM 0 H SER A 49 -2.687 2.279 6.435 1.00 1.00 H new ATOM 0 HA SER A 49 -4.292 0.651 4.804 1.00 1.00 H new ATOM 0 HB2 SER A 49 -4.685 3.597 5.582 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.954 2.487 5.105 1.00 1.00 H new ATOM 0 HG SER A 49 -5.797 2.703 7.413 1.00 1.00 H new ATOM 711 N LYS A 50 -4.617 1.798 2.521 1.00 1.00 N ATOM 712 CA LYS A 50 -4.641 2.213 1.106 1.00 1.00 C ATOM 713 C LYS A 50 -6.079 2.270 0.575 1.00 1.00 C ATOM 714 O LYS A 50 -6.964 1.602 1.112 1.00 1.00 O ATOM 715 CB LYS A 50 -3.855 1.190 0.257 1.00 1.00 C ATOM 716 CG LYS A 50 -2.376 0.977 0.627 1.00 1.00 C ATOM 717 CD LYS A 50 -1.494 2.188 0.303 1.00 1.00 C ATOM 718 CE LYS A 50 -0.050 1.895 0.717 1.00 1.00 C ATOM 719 NZ LYS A 50 0.852 2.994 0.316 1.00 1.00 N ATOM 0 H LYS A 50 -5.321 1.089 2.727 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.191 3.203 1.037 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.365 0.229 0.324 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.903 1.504 -0.786 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.302 0.756 1.692 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.996 0.106 0.094 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.540 2.409 -0.763 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.862 3.070 0.828 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.001 1.755 1.797 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.281 0.963 0.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.764 2.891 0.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 1.005 2.960 -0.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.423 3.906 0.572 1.00 1.00 H new ATOM 733 N SER A 51 -6.315 3.029 -0.495 1.00 1.00 N ATOM 734 CA SER A 51 -7.591 2.985 -1.228 1.00 1.00 C ATOM 735 C SER A 51 -7.705 1.670 -2.004 1.00 1.00 C ATOM 736 O SER A 51 -6.696 1.064 -2.377 1.00 1.00 O ATOM 737 CB SER A 51 -7.729 4.174 -2.186 1.00 1.00 C ATOM 738 OG SER A 51 -7.659 5.396 -1.465 1.00 1.00 O ATOM 0 H SER A 51 -5.638 3.687 -0.879 1.00 1.00 H new ATOM 0 HA SER A 51 -8.399 3.046 -0.499 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.938 4.140 -2.936 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.677 4.112 -2.720 1.00 1.00 H new ATOM 0 HG SER A 51 -7.747 6.148 -2.087 1.00 1.00 H new ATOM 744 N ALA A 52 -8.936 1.225 -2.254 1.00 1.00 N ATOM 745 CA ALA A 52 -9.212 -0.079 -2.859 1.00 1.00 C ATOM 746 C ALA A 52 -10.407 -0.070 -3.827 1.00 1.00 C ATOM 747 O ALA A 52 -11.359 0.687 -3.632 1.00 1.00 O ATOM 748 CB ALA A 52 -9.426 -1.100 -1.733 1.00 1.00 C ATOM 0 H ALA A 52 -9.776 1.763 -2.041 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.352 -0.353 -3.470 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.633 -2.079 -2.164 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.528 -1.157 -1.118 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.269 -0.790 -1.116 1.00 1.00 H new ATOM 754 N VAL A 53 -10.376 -0.961 -4.826 1.00 1.00 N ATOM 755 CA VAL A 53 -11.462 -1.246 -5.789 1.00 1.00 C ATOM 756 C VAL A 53 -11.754 -2.750 -5.877 1.00 1.00 C ATOM 757 O VAL A 53 -10.877 -3.577 -5.619 1.00 1.00 O ATOM 758 CB VAL A 53 -11.169 -0.681 -7.196 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.045 0.842 -7.165 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.910 -1.258 -7.857 1.00 1.00 C ATOM 0 H VAL A 53 -9.551 -1.536 -4.999 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.347 -0.738 -5.406 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.025 -0.987 -7.798 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.839 1.211 -8.170 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -11.977 1.276 -6.804 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.230 1.127 -6.499 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.777 -0.809 -8.841 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.041 -1.038 -7.237 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.017 -2.338 -7.963 1.00 1.00 H new ATOM 770 N SER A 54 -12.988 -3.117 -6.236 1.00 1.00 N ATOM 771 CA SER A 54 -13.442 -4.511 -6.288 1.00 1.00 C ATOM 772 C SER A 54 -13.106 -5.159 -7.636 1.00 1.00 C ATOM 773 O SER A 54 -13.745 -4.880 -8.655 1.00 1.00 O ATOM 774 CB SER A 54 -14.943 -4.566 -6.006 1.00 1.00 C ATOM 775 OG SER A 54 -15.352 -5.905 -5.845 1.00 1.00 O ATOM 0 H SER A 54 -13.709 -2.446 -6.502 1.00 1.00 H new ATOM 0 HA SER A 54 -12.916 -5.081 -5.523 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.174 -3.995 -5.106 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.493 -4.105 -6.826 1.00 1.00 H new ATOM 0 HG SER A 54 -16.151 -5.937 -5.278 1.00 1.00 H new ATOM 781 N PHE A 55 -12.080 -6.014 -7.657 1.00 1.00 N ATOM 782 CA PHE A 55 -11.589 -6.691 -8.866 1.00 1.00 C ATOM 783 C PHE A 55 -12.600 -7.688 -9.466 1.00 1.00 C ATOM 784 O PHE A 55 -12.596 -7.937 -10.672 1.00 1.00 O ATOM 785 CB PHE A 55 -10.284 -7.411 -8.511 1.00 1.00 C ATOM 786 CG PHE A 55 -9.553 -8.024 -9.696 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.736 -7.220 -10.515 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.674 -9.401 -9.970 1.00 1.00 C ATOM 789 CE1 PHE A 55 -8.035 -7.792 -11.593 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.971 -9.972 -11.047 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.150 -9.168 -11.857 1.00 1.00 C ATOM 0 H PHE A 55 -11.555 -6.262 -6.818 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.430 -5.934 -9.633 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.618 -6.704 -8.017 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.504 -8.199 -7.790 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.647 -6.162 -10.315 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.308 -10.020 -9.352 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.408 -7.173 -12.218 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.062 -11.029 -11.251 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.608 -9.607 -12.681 1.00 1.00 H new ATOM 801 N ASP A 56 -13.488 -8.238 -8.631 1.00 1.00 N ATOM 802 CA ASP A 56 -14.433 -9.310 -8.981 1.00 1.00 C ATOM 803 C ASP A 56 -15.894 -8.811 -9.066 1.00 1.00 C ATOM 804 O ASP A 56 -16.833 -9.607 -9.038 1.00 1.00 O ATOM 805 CB ASP A 56 -14.231 -10.455 -7.971 1.00 1.00 C ATOM 806 CG ASP A 56 -14.975 -11.742 -8.350 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.735 -12.249 -9.471 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.765 -12.237 -7.510 1.00 1.00 O ATOM 0 H ASP A 56 -13.573 -7.941 -7.659 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.228 -9.679 -9.986 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.166 -10.671 -7.887 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.568 -10.126 -6.988 1.00 1.00 H new ATOM 813 N ASN A 57 -16.090 -7.488 -9.156 1.00 1.00 N ATOM 814 CA ASN A 57 -17.392 -6.803 -9.149 1.00 1.00 C ATOM 815 C ASN A 57 -18.319 -7.243 -7.994 1.00 1.00 C ATOM 816 O ASN A 57 -19.503 -7.527 -8.189 1.00 1.00 O ATOM 817 CB ASN A 57 -18.047 -6.882 -10.545 1.00 1.00 C ATOM 818 CG ASN A 57 -17.246 -6.186 -11.630 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.624 -6.809 -12.481 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.245 -4.872 -11.648 1.00 1.00 N ATOM 0 H ASN A 57 -15.310 -6.836 -9.239 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.209 -5.750 -8.937 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.179 -7.929 -10.817 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.041 -6.438 -10.497 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.726 -4.372 -12.370 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.763 -4.352 -10.940 1.00 1.00 H new ATOM 827 N GLN A 58 -17.770 -7.295 -6.776 1.00 1.00 N ATOM 828 CA GLN A 58 -18.483 -7.642 -5.538 1.00 1.00 C ATOM 829 C GLN A 58 -18.611 -6.423 -4.616 1.00 1.00 C ATOM 830 O GLN A 58 -17.743 -5.551 -4.622 1.00 1.00 O ATOM 831 CB GLN A 58 -17.730 -8.756 -4.791 1.00 1.00 C ATOM 832 CG GLN A 58 -17.515 -10.045 -5.599 1.00 1.00 C ATOM 833 CD GLN A 58 -18.810 -10.642 -6.148 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.733 -10.981 -5.416 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.940 -10.788 -7.450 1.00 1.00 N ATOM 0 H GLN A 58 -16.783 -7.090 -6.617 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.481 -7.985 -5.812 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.758 -8.373 -4.481 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.281 -9.001 -3.883 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.840 -9.836 -6.429 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.023 -10.784 -4.966 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.181 -10.511 -8.073 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.800 -11.178 -7.836 1.00 1.00 H new ATOM 844 N GLN A 59 -19.662 -6.366 -3.795 1.00 1.00 N ATOM 845 CA GLN A 59 -19.817 -5.321 -2.778 1.00 1.00 C ATOM 846 C GLN A 59 -19.068 -5.735 -1.500 1.00 1.00 C ATOM 847 O GLN A 59 -19.582 -6.497 -0.676 1.00 1.00 O ATOM 848 CB GLN A 59 -21.307 -5.026 -2.525 1.00 1.00 C ATOM 849 CG GLN A 59 -21.487 -3.650 -1.861 1.00 1.00 C ATOM 850 CD GLN A 59 -22.824 -3.541 -1.132 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.858 -3.239 -1.715 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.866 -3.781 0.163 1.00 1.00 N ATOM 0 H GLN A 59 -20.428 -7.040 -3.815 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.375 -4.390 -3.133 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.853 -5.054 -3.468 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.733 -5.801 -1.887 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.674 -3.478 -1.156 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.422 -2.870 -2.619 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.013 -4.034 0.663 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.751 -3.714 0.666 1.00 1.00 H new ATOM 861 N ILE A 60 -17.825 -5.273 -1.353 1.00 1.00 N ATOM 862 CA ILE A 60 -16.933 -5.632 -0.249 1.00 1.00 C ATOM 863 C ILE A 60 -17.207 -4.693 0.929 1.00 1.00 C ATOM 864 O ILE A 60 -16.560 -3.660 1.093 1.00 1.00 O ATOM 865 CB ILE A 60 -15.442 -5.672 -0.670 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.223 -6.134 -2.133 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.737 -6.606 0.319 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.757 -6.203 -2.575 1.00 1.00 C ATOM 0 H ILE A 60 -17.400 -4.623 -2.014 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.146 -6.654 0.066 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.030 -4.663 -0.639 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.672 -7.119 -2.259 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.756 -5.454 -2.797 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.678 -6.671 0.067 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.846 -6.214 1.330 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.184 -7.599 0.264 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.705 -6.536 -3.612 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.304 -5.216 -2.487 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.218 -6.907 -1.941 1.00 1.00 H new ATOM 880 N SER A 61 -18.247 -5.008 1.698 1.00 1.00 N ATOM 881 CA SER A 61 -18.633 -4.271 2.909 1.00 1.00 C ATOM 882 C SER A 61 -17.534 -4.283 3.989 1.00 1.00 C ATOM 883 O SER A 61 -16.599 -5.088 3.953 1.00 1.00 O ATOM 884 CB SER A 61 -19.942 -4.850 3.462 1.00 1.00 C ATOM 885 OG SER A 61 -20.973 -4.760 2.486 1.00 1.00 O ATOM 0 H SER A 61 -18.860 -5.798 1.497 1.00 1.00 H new ATOM 0 HA SER A 61 -18.778 -3.227 2.630 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.794 -5.891 3.750 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.235 -4.309 4.362 1.00 1.00 H new ATOM 0 HG SER A 61 -21.802 -5.134 2.851 1.00 1.00 H new ATOM 891 N TYR A 62 -17.659 -3.383 4.969 1.00 1.00 N ATOM 892 CA TYR A 62 -16.729 -3.220 6.094 1.00 1.00 C ATOM 893 C TYR A 62 -16.414 -4.534 6.840 1.00 1.00 C ATOM 894 O TYR A 62 -17.309 -5.346 7.097 1.00 1.00 O ATOM 895 CB TYR A 62 -17.342 -2.199 7.069 1.00 1.00 C ATOM 896 CG TYR A 62 -16.514 -1.941 8.315 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.526 -0.943 8.300 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.718 -2.708 9.480 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.728 -0.713 9.437 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.922 -2.486 10.620 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.922 -1.488 10.602 1.00 1.00 C ATOM 902 OH TYR A 62 -14.157 -1.278 11.709 1.00 1.00 O ATOM 0 H TYR A 62 -18.437 -2.724 5.003 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.777 -2.876 5.690 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.487 -1.255 6.543 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.329 -2.551 7.370 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -15.377 -0.348 7.411 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.486 -3.467 9.498 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.969 0.055 9.418 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -16.076 -3.079 11.509 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.428 -1.900 12.417 1.00 1.00 H new ATOM 912 N GLY A 63 -15.151 -4.713 7.243 1.00 1.00 N ATOM 913 CA GLY A 63 -14.734 -5.784 8.150 1.00 1.00 C ATOM 914 C GLY A 63 -14.679 -7.192 7.545 1.00 1.00 C ATOM 915 O GLY A 63 -15.081 -8.145 8.216 1.00 1.00 O ATOM 0 H GLY A 63 -14.383 -4.111 6.945 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.746 -5.539 8.541 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.417 -5.801 8.999 1.00 1.00 H new ATOM 919 N THR A 64 -14.181 -7.348 6.310 1.00 1.00 N ATOM 920 CA THR A 64 -13.987 -8.671 5.678 1.00 1.00 C ATOM 921 C THR A 64 -12.567 -8.882 5.155 1.00 1.00 C ATOM 922 O THR A 64 -11.825 -7.925 4.913 1.00 1.00 O ATOM 923 CB THR A 64 -15.032 -8.939 4.583 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.117 -10.332 4.372 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.719 -8.280 3.244 1.00 1.00 C ATOM 0 H THR A 64 -13.900 -6.566 5.718 1.00 1.00 H new ATOM 0 HA THR A 64 -14.136 -9.405 6.469 1.00 1.00 H new ATOM 0 HB THR A 64 -15.967 -8.508 4.940 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.782 -10.518 3.676 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.505 -8.519 2.528 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.664 -7.199 3.375 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.764 -8.650 2.871 1.00 1.00 H new ATOM 933 N THR A 65 -12.186 -10.149 5.000 1.00 1.00 N ATOM 934 CA THR A 65 -10.842 -10.590 4.602 1.00 1.00 C ATOM 935 C THR A 65 -10.748 -10.715 3.083 1.00 1.00 C ATOM 936 O THR A 65 -11.540 -11.415 2.446 1.00 1.00 O ATOM 937 CB THR A 65 -10.488 -11.923 5.273 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.659 -11.817 6.671 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.033 -12.319 5.034 1.00 1.00 C ATOM 0 H THR A 65 -12.826 -10.929 5.153 1.00 1.00 H new ATOM 0 HA THR A 65 -10.124 -9.839 4.932 1.00 1.00 H new ATOM 0 HB THR A 65 -11.148 -12.674 4.839 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.433 -12.672 7.094 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.829 -13.269 5.528 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.855 -12.421 3.963 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.375 -11.550 5.440 1.00 1.00 H new ATOM 947 N VAL A 66 -9.748 -10.054 2.501 1.00 1.00 N ATOM 948 CA VAL A 66 -9.596 -9.855 1.053 1.00 1.00 C ATOM 949 C VAL A 66 -8.197 -10.212 0.565 1.00 1.00 C ATOM 950 O VAL A 66 -7.222 -9.993 1.271 1.00 1.00 O ATOM 951 CB VAL A 66 -9.922 -8.399 0.658 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.401 -8.058 0.847 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.124 -7.343 1.440 1.00 1.00 C ATOM 0 H VAL A 66 -8.994 -9.627 3.039 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.305 -10.529 0.572 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.642 -8.359 -0.395 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.576 -7.023 0.555 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.009 -8.718 0.227 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.674 -8.191 1.894 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.411 -6.347 1.103 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.336 -7.441 2.505 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.058 -7.491 1.267 1.00 1.00 H new ATOM 963 N LEU A 67 -8.078 -10.747 -0.647 1.00 1.00 N ATOM 964 CA LEU A 67 -6.792 -10.936 -1.325 1.00 1.00 C ATOM 965 C LEU A 67 -6.579 -9.769 -2.295 1.00 1.00 C ATOM 966 O LEU A 67 -7.457 -9.483 -3.116 1.00 1.00 O ATOM 967 CB LEU A 67 -6.821 -12.291 -2.062 1.00 1.00 C ATOM 968 CG LEU A 67 -5.537 -12.644 -2.836 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.337 -12.852 -1.910 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.751 -13.937 -3.624 1.00 1.00 C ATOM 0 H LEU A 67 -8.878 -11.066 -1.194 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.964 -10.949 -0.616 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.015 -13.078 -1.334 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.658 -12.289 -2.760 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.326 -11.804 -3.498 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.457 -13.099 -2.504 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.150 -11.938 -1.346 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.548 -13.668 -1.219 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.841 -14.185 -4.171 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.992 -14.747 -2.936 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.572 -13.802 -4.328 1.00 1.00 H new ATOM 982 N VAL A 68 -5.433 -9.089 -2.210 1.00 1.00 N ATOM 983 CA VAL A 68 -5.047 -8.108 -3.241 1.00 1.00 C ATOM 984 C VAL A 68 -4.621 -8.878 -4.495 1.00 1.00 C ATOM 985 O VAL A 68 -3.757 -9.751 -4.421 1.00 1.00 O ATOM 986 CB VAL A 68 -3.922 -7.156 -2.787 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.817 -5.985 -3.769 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.164 -6.584 -1.384 1.00 1.00 C ATOM 0 H VAL A 68 -4.760 -9.193 -1.450 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.909 -7.472 -3.443 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.002 -7.740 -2.763 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.022 -5.312 -3.449 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.591 -6.365 -4.765 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.763 -5.444 -3.793 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.342 -5.921 -1.115 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.099 -6.024 -1.376 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.223 -7.400 -0.664 1.00 1.00 H new ATOM 998 N VAL A 69 -5.235 -8.575 -5.639 1.00 1.00 N ATOM 999 CA VAL A 69 -5.110 -9.349 -6.893 1.00 1.00 C ATOM 1000 C VAL A 69 -4.554 -8.534 -8.069 1.00 1.00 C ATOM 1001 O VAL A 69 -3.993 -9.106 -9.003 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.441 -10.029 -7.270 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.653 -11.293 -6.428 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.664 -9.125 -7.090 1.00 1.00 C ATOM 0 H VAL A 69 -5.850 -7.766 -5.731 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.371 -10.123 -6.688 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.356 -10.270 -8.330 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.597 -11.761 -6.706 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.835 -11.991 -6.607 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.678 -11.026 -5.371 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.564 -9.670 -7.374 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.740 -8.819 -6.047 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.560 -8.242 -7.721 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.634 -7.204 -8.010 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.962 -6.264 -8.920 1.00 1.00 C ATOM 1016 C ASP A 70 -3.683 -4.966 -8.142 1.00 1.00 C ATOM 1017 O ASP A 70 -4.258 -4.763 -7.072 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.810 -6.008 -10.181 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.957 -5.765 -11.430 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.195 -4.770 -11.431 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -4.067 -6.566 -12.387 1.00 1.00 O ATOM 0 H ASP A 70 -5.190 -6.729 -7.299 1.00 1.00 H new ATOM 0 HA ASP A 70 -3.020 -6.687 -9.269 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.464 -6.863 -10.354 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.453 -5.144 -10.012 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.796 -4.092 -8.619 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.357 -2.893 -7.882 1.00 1.00 C ATOM 1028 C ILE A 71 -2.058 -1.735 -8.844 1.00 1.00 C ATOM 1029 O ILE A 71 -1.441 -1.909 -9.896 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.133 -3.226 -6.976 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.560 -4.211 -5.860 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.513 -1.971 -6.338 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.586 -4.436 -4.704 1.00 1.00 C ATOM 0 H ILE A 71 -2.355 -4.191 -9.534 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.170 -2.568 -7.232 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.375 -3.679 -7.615 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.502 -3.857 -5.441 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.760 -5.177 -6.323 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.335 -2.260 -5.717 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.175 -1.293 -7.122 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.259 -1.470 -5.722 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.016 -5.148 -3.999 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.353 -4.831 -5.091 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.400 -3.490 -4.196 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.458 -0.534 -8.424 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.134 0.764 -9.014 1.00 1.00 C ATOM 1047 C ASN A 72 -1.728 1.732 -7.876 1.00 1.00 C ATOM 1048 O ASN A 72 -2.005 1.453 -6.709 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.368 1.227 -9.813 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.154 2.549 -10.526 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.596 3.600 -10.089 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.435 2.548 -11.627 1.00 1.00 N ATOM 0 H ASN A 72 -3.059 -0.437 -7.605 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.290 0.722 -9.703 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.626 0.463 -10.546 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.218 1.319 -9.137 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.247 3.424 -12.114 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -2.065 1.671 -11.994 1.00 1.00 H new ATOM 1059 N ASN A 73 -1.056 2.845 -8.194 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.464 3.789 -7.231 1.00 1.00 C ATOM 1061 C ASN A 73 -1.433 4.243 -6.109 1.00 1.00 C ATOM 1062 O ASN A 73 -2.269 5.125 -6.315 1.00 1.00 O ATOM 1063 CB ASN A 73 0.116 4.979 -8.018 1.00 1.00 C ATOM 1064 CG ASN A 73 0.826 5.995 -7.131 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.311 5.695 -6.048 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.913 7.233 -7.560 1.00 1.00 N ATOM 0 H ASN A 73 -0.903 3.125 -9.163 1.00 1.00 H new ATOM 0 HA ASN A 73 0.330 3.271 -6.693 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.817 4.606 -8.765 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.690 5.477 -8.557 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.383 7.938 -6.992 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.511 7.490 -8.462 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.324 3.627 -4.927 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.193 3.852 -3.762 1.00 1.00 C ATOM 1075 C GLY A 74 -3.651 3.392 -3.919 1.00 1.00 C ATOM 1076 O GLY A 74 -4.477 3.707 -3.062 1.00 1.00 O ATOM 0 H GLY A 74 -0.601 2.931 -4.746 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.760 3.338 -2.904 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.190 4.917 -3.530 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.969 2.644 -4.982 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.309 2.157 -5.353 1.00 1.00 C ATOM 1082 C VAL A 75 -5.205 0.673 -5.710 1.00 1.00 C ATOM 1083 O VAL A 75 -4.961 0.285 -6.854 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.947 2.981 -6.494 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.396 2.531 -6.740 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.988 4.482 -6.180 1.00 1.00 C ATOM 0 H VAL A 75 -3.258 2.343 -5.648 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.977 2.283 -4.501 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.323 2.810 -7.371 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.829 3.123 -7.547 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.408 1.477 -7.016 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.981 2.674 -5.831 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.445 5.016 -7.013 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.574 4.649 -5.276 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.973 4.850 -6.027 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.310 -0.170 -4.687 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.222 -1.626 -4.793 1.00 1.00 C ATOM 1098 C LEU A 76 -6.519 -2.201 -5.397 1.00 1.00 C ATOM 1099 O LEU A 76 -7.610 -1.690 -5.148 1.00 1.00 O ATOM 1100 CB LEU A 76 -4.973 -2.181 -3.375 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.510 -2.108 -2.878 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.860 -0.721 -2.946 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.453 -2.579 -1.425 1.00 1.00 C ATOM 0 H LEU A 76 -5.464 0.150 -3.731 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.406 -1.916 -5.455 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.604 -1.635 -2.674 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.295 -3.222 -3.349 1.00 1.00 H new ATOM 0 HG LEU A 76 -2.947 -2.747 -3.558 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.837 -0.780 -2.575 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.852 -0.373 -3.979 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.429 -0.022 -2.332 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.425 -2.531 -1.067 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.082 -1.936 -0.809 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.811 -3.606 -1.361 1.00 1.00 H new ATOM 1115 N SER A 77 -6.427 -3.314 -6.116 1.00 1.00 N ATOM 1116 CA SER A 77 -7.581 -4.073 -6.615 1.00 1.00 C ATOM 1117 C SER A 77 -7.683 -5.371 -5.826 1.00 1.00 C ATOM 1118 O SER A 77 -6.750 -6.179 -5.818 1.00 1.00 O ATOM 1119 CB SER A 77 -7.458 -4.388 -8.108 1.00 1.00 C ATOM 1120 OG SER A 77 -7.224 -3.212 -8.868 1.00 1.00 O ATOM 0 H SER A 77 -5.532 -3.727 -6.377 1.00 1.00 H new ATOM 0 HA SER A 77 -8.477 -3.466 -6.484 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.643 -5.094 -8.267 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.371 -4.872 -8.456 1.00 1.00 H new ATOM 0 HG SER A 77 -7.148 -3.445 -9.817 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.807 -5.572 -5.141 1.00 1.00 N ATOM 1127 CA VAL A 78 -8.976 -6.655 -4.160 1.00 1.00 C ATOM 1128 C VAL A 78 -10.252 -7.460 -4.406 1.00 1.00 C ATOM 1129 O VAL A 78 -11.171 -7.009 -5.091 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.904 -6.115 -2.708 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.729 -5.153 -2.482 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.170 -5.382 -2.257 1.00 1.00 C ATOM 0 H VAL A 78 -9.635 -4.986 -5.248 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.143 -7.345 -4.294 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.775 -7.021 -2.116 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.733 -4.810 -1.447 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.791 -5.669 -2.689 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.827 -4.296 -3.149 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.043 -5.034 -1.232 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.348 -4.528 -2.911 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.021 -6.061 -2.307 1.00 1.00 H new ATOM 1142 N THR A 79 -10.316 -8.657 -3.829 1.00 1.00 N ATOM 1143 CA THR A 79 -11.487 -9.551 -3.880 1.00 1.00 C ATOM 1144 C THR A 79 -11.647 -10.295 -2.544 1.00 1.00 C ATOM 1145 O THR A 79 -10.631 -10.633 -1.927 1.00 1.00 O ATOM 1146 CB THR A 79 -11.352 -10.528 -5.064 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.472 -11.379 -5.124 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.111 -11.421 -5.013 1.00 1.00 C ATOM 0 H THR A 79 -9.539 -9.049 -3.297 1.00 1.00 H new ATOM 0 HA THR A 79 -12.388 -8.958 -4.037 1.00 1.00 H new ATOM 0 HB THR A 79 -11.269 -9.887 -5.942 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.376 -11.994 -5.881 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.098 -12.076 -5.884 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.215 -10.800 -5.012 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.134 -12.025 -4.106 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.873 -10.528 -2.031 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.087 -11.186 -0.743 1.00 1.00 C ATOM 1158 C PRO A 80 -12.765 -12.688 -0.789 1.00 1.00 C ATOM 1159 O PRO A 80 -13.611 -13.529 -1.100 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.527 -10.873 -0.348 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.236 -10.717 -1.692 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.156 -10.105 -2.587 1.00 1.00 C ATOM 0 HA PRO A 80 -12.402 -10.811 0.017 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.964 -11.675 0.246 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.591 -9.963 0.248 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.583 -11.675 -2.078 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.109 -10.069 -1.614 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.265 -10.446 -3.616 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.234 -9.018 -2.602 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.517 -13.018 -0.449 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.048 -14.388 -0.232 1.00 1.00 C ATOM 1172 C HIS A 81 -11.833 -15.081 0.902 1.00 1.00 C ATOM 1173 O HIS A 81 -12.122 -16.275 0.811 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.540 -14.338 0.074 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.829 -15.674 0.137 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.389 -16.915 0.358 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.481 -15.875 0.000 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.411 -17.835 0.351 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.222 -17.247 0.136 1.00 1.00 N ATOM 0 H HIS A 81 -10.785 -12.321 -0.313 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.220 -14.982 -1.130 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.055 -13.727 -0.687 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.400 -13.829 1.028 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.381 -17.103 0.503 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.743 -15.108 -0.182 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.559 -18.895 0.497 1.00 1.00 H new