USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 25:sc= 0.28 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 166:sc=-0.000544 (180deg=-0.212) USER MOD Single : A 24 SER OG : rot 180:sc= 0.739 USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -1:sc= 2.52 USER MOD Single : A 40 MET CE :methyl 159:sc= -0.13 (180deg=-0.655) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00166 USER MOD Single : A 49 THR OG1 : rot -70:sc= 1.34 USER MOD Single : A 51 THR OG1 : rot -98:sc= 1.01 USER MOD Single : A 55 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0.0092) USER MOD Single : A 62 LYS NZ :NH3+ 168:sc=-0.00761 (180deg=-0.132) USER MOD Single : A 64 GLN : amide:sc= -1.71! C(o=-1.7!,f=-4.4!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc=-0.00194 (180deg=-0.0511) USER MOD Single : A 71 THR OG1 : rot 160:sc= -0.279 USER MOD Single : A 72 ASN : amide:sc= -1.84! C(o=-1.8!,f=-5.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -5.395 6.006 -6.786 1.00 0.00 N ATOM 2 CA SER A 7 -6.167 7.234 -6.888 1.00 0.00 C ATOM 3 C SER A 7 -5.830 8.091 -5.673 1.00 0.00 C ATOM 4 O SER A 7 -5.294 7.571 -4.687 1.00 0.00 O ATOM 5 CB SER A 7 -7.644 6.857 -6.913 1.00 0.00 C ATOM 6 OG SER A 7 -7.864 5.857 -7.897 1.00 0.00 O ATOM 0 HA SER A 7 -5.936 7.797 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.953 6.492 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.250 7.736 -7.131 1.00 0.00 H new ATOM 0 HG SER A 7 -7.031 5.365 -8.056 1.00 0.00 H new ATOM 12 N GLY A 8 -6.058 9.388 -5.745 1.00 0.00 N ATOM 13 CA GLY A 8 -5.776 10.221 -4.606 1.00 0.00 C ATOM 14 C GLY A 8 -6.739 11.370 -4.483 1.00 0.00 C ATOM 15 O GLY A 8 -6.729 12.289 -5.290 1.00 0.00 O ATOM 0 H GLY A 8 -6.429 9.873 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.817 9.618 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.760 10.609 -4.685 1.00 0.00 H new ATOM 19 N ARG A 9 -7.626 11.275 -3.532 1.00 0.00 N ATOM 20 CA ARG A 9 -8.528 12.355 -3.194 1.00 0.00 C ATOM 21 C ARG A 9 -8.462 12.466 -1.698 1.00 0.00 C ATOM 22 O ARG A 9 -9.088 11.684 -0.979 1.00 0.00 O ATOM 23 CB ARG A 9 -10.002 12.152 -3.614 1.00 0.00 C ATOM 24 CG ARG A 9 -10.302 12.027 -5.103 1.00 0.00 C ATOM 25 CD ARG A 9 -9.897 10.684 -5.689 1.00 0.00 C ATOM 26 NE ARG A 9 -10.585 9.556 -5.049 1.00 0.00 N ATOM 27 CZ ARG A 9 -11.263 8.600 -5.699 1.00 0.00 C ATOM 28 NH1 ARG A 9 -11.549 8.740 -6.995 1.00 0.00 N ATOM 29 NH2 ARG A 9 -11.703 7.537 -5.038 1.00 0.00 N ATOM 0 H ARG A 9 -7.749 10.439 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.211 13.245 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.371 11.253 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.581 12.990 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.369 12.179 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.782 12.821 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.114 10.678 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.820 10.555 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.544 9.495 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.251 9.577 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.065 8.009 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.525 7.449 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.219 6.808 -5.530 1.00 0.00 H new ATOM 43 N GLU A 10 -7.649 13.362 -1.217 1.00 0.00 N ATOM 44 CA GLU A 10 -7.485 13.473 0.199 1.00 0.00 C ATOM 45 C GLU A 10 -8.394 14.540 0.766 1.00 0.00 C ATOM 46 O GLU A 10 -8.250 15.737 0.512 1.00 0.00 O ATOM 47 CB GLU A 10 -6.010 13.590 0.589 1.00 0.00 C ATOM 48 CG GLU A 10 -5.252 14.757 -0.008 1.00 0.00 C ATOM 49 CD GLU A 10 -3.766 14.592 0.172 1.00 0.00 C ATOM 50 OE1 GLU A 10 -3.280 14.490 1.321 1.00 0.00 O ATOM 51 OE2 GLU A 10 -3.036 14.545 -0.852 1.00 0.00 O ATOM 0 H GLU A 10 -7.099 14.015 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.811 12.547 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.947 13.660 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.505 12.669 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.485 14.840 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.577 15.684 0.464 1.00 0.00 H new ATOM 58 N ASN A 11 -9.393 14.058 1.452 1.00 0.00 N ATOM 59 CA ASN A 11 -10.396 14.863 2.107 1.00 0.00 C ATOM 60 C ASN A 11 -9.978 14.913 3.561 1.00 0.00 C ATOM 61 O ASN A 11 -8.929 14.351 3.914 1.00 0.00 O ATOM 62 CB ASN A 11 -11.765 14.154 2.041 1.00 0.00 C ATOM 63 CG ASN A 11 -12.184 13.690 0.653 1.00 0.00 C ATOM 64 OD1 ASN A 11 -11.862 12.571 0.245 1.00 0.00 O ATOM 65 ND2 ASN A 11 -12.931 14.499 -0.066 1.00 0.00 N ATOM 0 H ASN A 11 -9.540 13.056 1.577 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.480 15.846 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.742 13.290 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.527 14.832 2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.260 14.207 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.182 15.419 0.297 1.00 0.00 H new ATOM 72 N LEU A 12 -10.738 15.589 4.402 1.00 0.00 N ATOM 73 CA LEU A 12 -10.480 15.498 5.829 1.00 0.00 C ATOM 74 C LEU A 12 -10.839 14.070 6.194 1.00 0.00 C ATOM 75 O LEU A 12 -11.953 13.612 5.902 1.00 0.00 O ATOM 76 CB LEU A 12 -11.266 16.524 6.693 1.00 0.00 C ATOM 77 CG LEU A 12 -12.806 16.434 6.778 1.00 0.00 C ATOM 78 CD1 LEU A 12 -13.322 17.398 7.831 1.00 0.00 C ATOM 79 CD2 LEU A 12 -13.477 16.747 5.447 1.00 0.00 C ATOM 0 H LEU A 12 -11.517 16.191 4.135 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.439 15.745 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.879 16.457 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.018 17.519 6.323 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.053 15.407 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.408 17.330 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.893 17.142 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.036 18.415 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.559 16.671 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.215 17.758 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.139 16.036 4.693 1.00 0.00 H new ATOM 91 N TYR A 13 -9.913 13.342 6.753 1.00 0.00 N ATOM 92 CA TYR A 13 -10.171 11.947 6.954 1.00 0.00 C ATOM 93 C TYR A 13 -10.748 11.733 8.336 1.00 0.00 C ATOM 94 O TYR A 13 -10.220 12.238 9.330 1.00 0.00 O ATOM 95 CB TYR A 13 -8.921 11.097 6.709 1.00 0.00 C ATOM 96 CG TYR A 13 -9.276 9.734 6.162 1.00 0.00 C ATOM 97 CD1 TYR A 13 -9.658 8.695 6.992 1.00 0.00 C ATOM 98 CD2 TYR A 13 -9.266 9.505 4.791 1.00 0.00 C ATOM 99 CE1 TYR A 13 -10.021 7.470 6.476 1.00 0.00 C ATOM 100 CE2 TYR A 13 -9.619 8.279 4.266 1.00 0.00 C ATOM 101 CZ TYR A 13 -10.002 7.266 5.114 1.00 0.00 C ATOM 102 OH TYR A 13 -10.381 6.045 4.602 1.00 0.00 O ATOM 0 H TYR A 13 -9.003 13.678 7.068 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.906 11.616 6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.262 11.611 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.369 10.983 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.672 8.847 8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -8.976 10.303 4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.320 6.671 7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -9.595 8.116 3.199 1.00 0.00 H new ATOM 0 HH TYR A 13 -10.313 6.065 3.625 1.00 0.00 H new ATOM 112 N PHE A 14 -11.851 11.030 8.386 1.00 0.00 N ATOM 113 CA PHE A 14 -12.521 10.774 9.636 1.00 0.00 C ATOM 114 C PHE A 14 -11.953 9.515 10.269 1.00 0.00 C ATOM 115 O PHE A 14 -11.347 8.689 9.583 1.00 0.00 O ATOM 116 CB PHE A 14 -14.031 10.688 9.440 1.00 0.00 C ATOM 117 CG PHE A 14 -14.630 11.940 8.859 1.00 0.00 C ATOM 118 CD1 PHE A 14 -15.052 11.979 7.542 1.00 0.00 C ATOM 119 CD2 PHE A 14 -14.759 13.083 9.631 1.00 0.00 C ATOM 120 CE1 PHE A 14 -15.591 13.132 7.007 1.00 0.00 C ATOM 121 CE2 PHE A 14 -15.299 14.239 9.100 1.00 0.00 C ATOM 122 CZ PHE A 14 -15.716 14.263 7.786 1.00 0.00 C ATOM 0 H PHE A 14 -12.307 10.622 7.570 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.343 11.606 10.317 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -14.258 9.847 8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.503 10.480 10.400 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.959 11.097 6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.433 13.071 10.661 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.915 13.148 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.394 15.123 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.139 15.165 7.368 1.00 0.00 H new ATOM 132 N GLN A 15 -12.148 9.358 11.556 1.00 0.00 N ATOM 133 CA GLN A 15 -11.523 8.267 12.258 1.00 0.00 C ATOM 134 C GLN A 15 -12.229 6.935 12.119 1.00 0.00 C ATOM 135 O GLN A 15 -13.381 6.742 12.509 1.00 0.00 O ATOM 136 CB GLN A 15 -11.178 8.609 13.705 1.00 0.00 C ATOM 137 CG GLN A 15 -10.124 9.700 13.801 1.00 0.00 C ATOM 138 CD GLN A 15 -9.648 9.972 15.210 1.00 0.00 C ATOM 139 OE1 GLN A 15 -9.628 9.084 16.061 1.00 0.00 O ATOM 140 NE2 GLN A 15 -9.239 11.193 15.466 1.00 0.00 N ATOM 0 H GLN A 15 -12.729 9.966 12.133 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.575 8.124 11.740 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.080 8.931 14.226 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.819 7.714 14.213 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.268 9.419 13.187 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.529 10.621 13.381 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.270 11.905 14.736 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.891 11.430 16.395 1.00 0.00 H new ATOM 149 N GLY A 16 -11.505 6.054 11.501 1.00 0.00 N ATOM 150 CA GLY A 16 -11.843 4.676 11.313 1.00 0.00 C ATOM 151 C GLY A 16 -10.512 3.994 11.260 1.00 0.00 C ATOM 152 O GLY A 16 -9.502 4.705 11.290 1.00 0.00 O ATOM 0 H GLY A 16 -10.604 6.293 11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.456 4.298 12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.409 4.523 10.394 1.00 0.00 H new ATOM 156 N HIS A 17 -10.434 2.693 11.217 1.00 0.00 N ATOM 157 CA HIS A 17 -9.127 2.086 11.111 1.00 0.00 C ATOM 158 C HIS A 17 -8.661 2.100 9.681 1.00 0.00 C ATOM 159 O HIS A 17 -9.031 1.266 8.861 1.00 0.00 O ATOM 160 CB HIS A 17 -9.003 0.743 11.817 1.00 0.00 C ATOM 161 CG HIS A 17 -9.023 0.929 13.302 1.00 0.00 C ATOM 162 ND1 HIS A 17 -7.900 1.206 14.053 1.00 0.00 N ATOM 163 CD2 HIS A 17 -10.060 0.943 14.166 1.00 0.00 C ATOM 164 CE1 HIS A 17 -8.281 1.381 15.321 1.00 0.00 C ATOM 165 NE2 HIS A 17 -9.586 1.231 15.445 1.00 0.00 N ATOM 0 H HIS A 17 -11.224 2.049 11.252 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.427 2.703 11.675 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.822 0.090 11.515 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.077 0.252 11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.093 0.760 13.908 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.611 1.614 16.135 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.135 1.310 16.301 1.00 0.00 H new ATOM 173 N MET A 18 -7.881 3.099 9.405 1.00 0.00 N ATOM 174 CA MET A 18 -7.440 3.435 8.083 1.00 0.00 C ATOM 175 C MET A 18 -5.952 3.228 7.938 1.00 0.00 C ATOM 176 O MET A 18 -5.295 2.711 8.851 1.00 0.00 O ATOM 177 CB MET A 18 -7.897 4.870 7.738 1.00 0.00 C ATOM 178 CG MET A 18 -7.578 5.941 8.789 1.00 0.00 C ATOM 179 SD MET A 18 -5.856 6.472 8.870 1.00 0.00 S ATOM 180 CE MET A 18 -5.721 7.385 7.330 1.00 0.00 C ATOM 0 H MET A 18 -7.519 3.728 10.121 1.00 0.00 H new ATOM 0 HA MET A 18 -7.900 2.764 7.357 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.433 5.162 6.796 1.00 0.00 H new ATOM 0 HB3 MET A 18 -8.974 4.859 7.573 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.199 6.814 8.590 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.868 5.560 9.768 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.809 7.982 7.340 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.688 6.686 6.494 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.584 8.042 7.220 1.00 0.00 H new ATOM 190 N ALA A 19 -5.449 3.534 6.763 1.00 0.00 N ATOM 191 CA ALA A 19 -4.036 3.438 6.479 1.00 0.00 C ATOM 192 C ALA A 19 -3.285 4.525 7.249 1.00 0.00 C ATOM 193 O ALA A 19 -3.127 5.645 6.767 1.00 0.00 O ATOM 194 CB ALA A 19 -3.799 3.541 4.985 1.00 0.00 C ATOM 0 H ALA A 19 -6.011 3.857 5.975 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.657 2.470 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.731 3.468 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.322 2.731 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.173 4.498 4.622 1.00 0.00 H new ATOM 200 N ALA A 20 -2.873 4.193 8.456 1.00 0.00 N ATOM 201 CA ALA A 20 -2.264 5.143 9.361 1.00 0.00 C ATOM 202 C ALA A 20 -0.816 5.432 8.989 1.00 0.00 C ATOM 203 O ALA A 20 0.004 4.518 8.918 1.00 0.00 O ATOM 204 CB ALA A 20 -2.363 4.626 10.789 1.00 0.00 C ATOM 0 H ALA A 20 -2.952 3.250 8.837 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.807 6.085 9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.903 5.344 11.468 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.411 4.493 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.845 3.670 10.867 1.00 0.00 H new ATOM 210 N PRO A 21 -0.488 6.716 8.736 1.00 0.00 N ATOM 211 CA PRO A 21 0.872 7.151 8.405 1.00 0.00 C ATOM 212 C PRO A 21 1.866 6.754 9.490 1.00 0.00 C ATOM 213 O PRO A 21 1.784 7.207 10.637 1.00 0.00 O ATOM 214 CB PRO A 21 0.750 8.672 8.329 1.00 0.00 C ATOM 215 CG PRO A 21 -0.668 8.912 7.985 1.00 0.00 C ATOM 216 CD PRO A 21 -1.430 7.856 8.722 1.00 0.00 C ATOM 0 HA PRO A 21 1.240 6.697 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.013 9.139 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.418 9.087 7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.984 9.910 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.831 8.838 6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.691 8.176 9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.362 7.603 8.216 1.00 0.00 H new ATOM 224 N ALA A 22 2.780 5.878 9.142 1.00 0.00 N ATOM 225 CA ALA A 22 3.737 5.386 10.106 1.00 0.00 C ATOM 226 C ALA A 22 5.133 5.309 9.525 1.00 0.00 C ATOM 227 O ALA A 22 6.008 4.630 10.049 1.00 0.00 O ATOM 228 CB ALA A 22 3.274 4.048 10.609 1.00 0.00 C ATOM 0 H ALA A 22 2.881 5.493 8.203 1.00 0.00 H new ATOM 0 HA ALA A 22 3.793 6.086 10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.989 3.666 11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.297 4.155 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.200 3.351 9.774 1.00 0.00 H new ATOM 234 N ARG A 23 5.323 6.058 8.458 1.00 0.00 N ATOM 235 CA ARG A 23 6.617 6.166 7.760 1.00 0.00 C ATOM 236 C ARG A 23 7.150 4.853 7.161 1.00 0.00 C ATOM 237 O ARG A 23 8.336 4.729 6.861 1.00 0.00 O ATOM 238 CB ARG A 23 7.659 6.843 8.650 1.00 0.00 C ATOM 239 CG ARG A 23 7.452 8.337 8.820 1.00 0.00 C ATOM 240 CD ARG A 23 7.540 8.739 10.277 1.00 0.00 C ATOM 241 NE ARG A 23 6.330 8.362 11.029 1.00 0.00 N ATOM 242 CZ ARG A 23 6.292 7.823 12.252 1.00 0.00 C ATOM 243 NH1 ARG A 23 7.408 7.427 12.853 1.00 0.00 N ATOM 244 NH2 ARG A 23 5.123 7.686 12.878 1.00 0.00 N ATOM 0 H ARG A 23 4.584 6.620 8.036 1.00 0.00 H new ATOM 0 HA ARG A 23 6.421 6.796 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.644 6.371 9.632 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.649 6.670 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.203 8.879 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.478 8.620 8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.411 8.266 10.731 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.689 9.816 10.347 1.00 0.00 H new ATOM 0 HE ARG A 23 5.434 8.529 10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.306 7.533 12.381 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.367 7.017 13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.262 7.992 12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.089 7.275 13.811 1.00 0.00 H new ATOM 258 N SER A 24 6.278 3.921 6.900 1.00 0.00 N ATOM 259 CA SER A 24 6.640 2.691 6.231 1.00 0.00 C ATOM 260 C SER A 24 5.481 2.302 5.336 1.00 0.00 C ATOM 261 O SER A 24 4.353 2.472 5.746 1.00 0.00 O ATOM 262 CB SER A 24 6.900 1.584 7.254 1.00 0.00 C ATOM 263 OG SER A 24 8.001 1.880 8.114 1.00 0.00 O ATOM 0 H SER A 24 5.290 3.988 7.144 1.00 0.00 H new ATOM 0 HA SER A 24 7.551 2.831 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.004 1.432 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.094 0.648 6.730 1.00 0.00 H new ATOM 0 HG SER A 24 8.126 1.145 8.750 1.00 0.00 H new ATOM 269 N CYS A 25 5.753 1.789 4.156 1.00 0.00 N ATOM 270 CA CYS A 25 4.732 1.345 3.245 1.00 0.00 C ATOM 271 C CYS A 25 4.771 -0.149 3.248 1.00 0.00 C ATOM 272 O CYS A 25 5.823 -0.762 3.130 1.00 0.00 O ATOM 273 CB CYS A 25 4.980 1.846 1.824 1.00 0.00 C ATOM 274 SG CYS A 25 4.699 3.618 1.589 1.00 0.00 S ATOM 0 H CYS A 25 6.702 1.669 3.802 1.00 0.00 H new ATOM 0 HA CYS A 25 3.765 1.736 3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.008 1.615 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.333 1.295 1.141 1.00 0.00 H new ATOM 279 N VAL A 26 3.637 -0.730 3.407 1.00 0.00 N ATOM 280 CA VAL A 26 3.523 -2.149 3.526 1.00 0.00 C ATOM 281 C VAL A 26 2.816 -2.633 2.311 1.00 0.00 C ATOM 282 O VAL A 26 1.700 -2.206 2.028 1.00 0.00 O ATOM 283 CB VAL A 26 2.720 -2.492 4.778 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.895 -3.912 5.198 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.152 -1.608 5.865 1.00 0.00 C ATOM 0 H VAL A 26 2.748 -0.233 3.460 1.00 0.00 H new ATOM 0 HA VAL A 26 4.502 -2.620 3.611 1.00 0.00 H new ATOM 0 HB VAL A 26 1.663 -2.352 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.302 -4.102 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.564 -4.572 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.947 -4.101 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.588 -1.840 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.215 -1.756 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.975 -0.570 5.582 1.00 0.00 H new ATOM 295 N TYR A 27 3.480 -3.477 1.587 1.00 0.00 N ATOM 296 CA TYR A 27 2.957 -3.957 0.354 1.00 0.00 C ATOM 297 C TYR A 27 2.223 -5.236 0.606 1.00 0.00 C ATOM 298 O TYR A 27 2.744 -6.182 1.225 1.00 0.00 O ATOM 299 CB TYR A 27 4.057 -4.054 -0.714 1.00 0.00 C ATOM 300 CG TYR A 27 4.612 -2.681 -1.064 1.00 0.00 C ATOM 301 CD1 TYR A 27 4.305 -2.054 -2.261 1.00 0.00 C ATOM 302 CD2 TYR A 27 5.417 -1.995 -0.168 1.00 0.00 C ATOM 303 CE1 TYR A 27 4.785 -0.784 -2.537 1.00 0.00 C ATOM 304 CE2 TYR A 27 5.900 -0.737 -0.442 1.00 0.00 C ATOM 305 CZ TYR A 27 5.580 -0.134 -1.629 1.00 0.00 C ATOM 306 OH TYR A 27 6.048 1.133 -1.907 1.00 0.00 O ATOM 0 H TYR A 27 4.396 -3.850 1.835 1.00 0.00 H new ATOM 0 HA TYR A 27 2.236 -3.251 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.863 -4.693 -0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.655 -4.525 -1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.685 -2.560 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.672 -2.462 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.532 -0.304 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.528 -0.228 0.274 1.00 0.00 H new ATOM 0 HH TYR A 27 6.162 1.631 -1.070 1.00 0.00 H new ATOM 316 N TYR A 28 1.005 -5.233 0.174 1.00 0.00 N ATOM 317 CA TYR A 28 0.109 -6.310 0.379 1.00 0.00 C ATOM 318 C TYR A 28 -0.425 -6.793 -0.937 1.00 0.00 C ATOM 319 O TYR A 28 -0.607 -6.019 -1.868 1.00 0.00 O ATOM 320 CB TYR A 28 -1.094 -5.863 1.207 1.00 0.00 C ATOM 321 CG TYR A 28 -0.859 -5.524 2.665 1.00 0.00 C ATOM 322 CD1 TYR A 28 -0.717 -6.535 3.599 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.847 -4.211 3.123 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.571 -6.268 4.939 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.686 -3.943 4.464 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.554 -4.968 5.365 1.00 0.00 C ATOM 327 OH TYR A 28 -0.439 -4.686 6.703 1.00 0.00 O ATOM 0 H TYR A 28 0.599 -4.455 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 28 0.659 -7.097 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.526 -4.986 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.844 -6.653 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.721 -7.562 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.965 -3.397 2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.471 -7.076 5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.664 -2.920 4.808 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.442 -3.715 6.834 1.00 0.00 H new ATOM 337 N ASP A 29 -0.642 -8.065 -1.003 1.00 0.00 N ATOM 338 CA ASP A 29 -1.333 -8.667 -2.113 1.00 0.00 C ATOM 339 C ASP A 29 -2.783 -8.578 -1.721 1.00 0.00 C ATOM 340 O ASP A 29 -3.207 -9.262 -0.788 1.00 0.00 O ATOM 341 CB ASP A 29 -0.912 -10.129 -2.241 1.00 0.00 C ATOM 342 CG ASP A 29 -1.642 -10.931 -3.312 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.867 -11.167 -3.199 1.00 0.00 O ATOM 344 OD2 ASP A 29 -1.002 -11.427 -4.258 1.00 0.00 O ATOM 0 H ASP A 29 -0.346 -8.728 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.124 -8.184 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.157 -10.164 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.064 -10.618 -1.279 1.00 0.00 H new ATOM 349 N GLY A 30 -3.516 -7.689 -2.323 1.00 0.00 N ATOM 350 CA GLY A 30 -4.888 -7.555 -1.942 1.00 0.00 C ATOM 351 C GLY A 30 -5.705 -6.793 -2.923 1.00 0.00 C ATOM 352 O GLY A 30 -5.276 -5.789 -3.482 1.00 0.00 O ATOM 0 H GLY A 30 -3.197 -7.061 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.320 -8.548 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.941 -7.058 -0.973 1.00 0.00 H new ATOM 356 N HIS A 31 -6.897 -7.268 -3.103 1.00 0.00 N ATOM 357 CA HIS A 31 -7.856 -6.658 -3.989 1.00 0.00 C ATOM 358 C HIS A 31 -8.643 -5.663 -3.157 1.00 0.00 C ATOM 359 O HIS A 31 -8.944 -4.554 -3.581 1.00 0.00 O ATOM 360 CB HIS A 31 -8.780 -7.729 -4.581 1.00 0.00 C ATOM 361 CG HIS A 31 -8.068 -8.808 -5.347 1.00 0.00 C ATOM 362 ND1 HIS A 31 -7.848 -8.775 -6.702 1.00 0.00 N ATOM 363 CD2 HIS A 31 -7.523 -9.974 -4.912 1.00 0.00 C ATOM 364 CE1 HIS A 31 -7.196 -9.886 -7.047 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.972 -10.652 -5.995 1.00 0.00 N ATOM 0 H HIS A 31 -7.244 -8.105 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.366 -6.157 -4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.348 -8.189 -3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.500 -7.246 -5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.518 -10.320 -3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.891 -10.128 -8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -6.494 -11.553 -5.979 1.00 0.00 H new ATOM 373 N LEU A 32 -8.943 -6.081 -1.946 1.00 0.00 N ATOM 374 CA LEU A 32 -9.605 -5.271 -0.956 1.00 0.00 C ATOM 375 C LEU A 32 -8.723 -5.265 0.276 1.00 0.00 C ATOM 376 O LEU A 32 -7.902 -6.183 0.443 1.00 0.00 O ATOM 377 CB LEU A 32 -10.969 -5.852 -0.538 1.00 0.00 C ATOM 378 CG LEU A 32 -12.093 -5.934 -1.565 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.298 -4.613 -2.292 1.00 0.00 C ATOM 380 CD2 LEU A 32 -11.941 -7.110 -2.514 1.00 0.00 C ATOM 0 H LEU A 32 -8.725 -7.022 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.771 -4.279 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.794 -6.860 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.334 -5.259 0.300 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.009 -6.126 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.108 -4.717 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.552 -3.836 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.381 -4.338 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.770 -7.116 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.001 -7.020 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.943 -8.040 -1.945 1.00 0.00 H new ATOM 392 N PRO A 33 -8.854 -4.264 1.153 1.00 0.00 N ATOM 393 CA PRO A 33 -8.127 -4.227 2.423 1.00 0.00 C ATOM 394 C PRO A 33 -8.381 -5.475 3.285 1.00 0.00 C ATOM 395 O PRO A 33 -7.562 -5.839 4.112 1.00 0.00 O ATOM 396 CB PRO A 33 -8.649 -2.970 3.126 1.00 0.00 C ATOM 397 CG PRO A 33 -9.818 -2.503 2.337 1.00 0.00 C ATOM 398 CD PRO A 33 -9.659 -3.046 0.953 1.00 0.00 C ATOM 0 HA PRO A 33 -7.049 -4.210 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.937 -3.191 4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.878 -2.201 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.749 -2.853 2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.862 -1.414 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.623 -3.272 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.156 -2.335 0.298 1.00 0.00 H new ATOM 406 N ALA A 34 -9.507 -6.146 3.077 1.00 0.00 N ATOM 407 CA ALA A 34 -9.793 -7.372 3.811 1.00 0.00 C ATOM 408 C ALA A 34 -9.040 -8.572 3.236 1.00 0.00 C ATOM 409 O ALA A 34 -8.870 -9.580 3.908 1.00 0.00 O ATOM 410 CB ALA A 34 -11.280 -7.659 3.806 1.00 0.00 C ATOM 0 H ALA A 34 -10.230 -5.866 2.414 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.453 -7.218 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.475 -8.578 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.812 -6.832 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.625 -7.773 2.778 1.00 0.00 H new ATOM 416 N THR A 35 -8.559 -8.455 2.010 1.00 0.00 N ATOM 417 CA THR A 35 -7.908 -9.580 1.339 1.00 0.00 C ATOM 418 C THR A 35 -6.388 -9.427 1.328 1.00 0.00 C ATOM 419 O THR A 35 -5.685 -10.229 0.711 1.00 0.00 O ATOM 420 CB THR A 35 -8.410 -9.702 -0.121 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.149 -8.478 -0.827 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.904 -9.975 -0.164 1.00 0.00 C ATOM 0 H THR A 35 -8.604 -7.599 1.457 1.00 0.00 H new ATOM 0 HA THR A 35 -8.165 -10.480 1.898 1.00 0.00 H new ATOM 0 HB THR A 35 -7.882 -10.533 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.722 -7.836 -0.222 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.229 -10.056 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.119 -10.908 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.437 -9.157 0.321 1.00 0.00 H new ATOM 430 N ARG A 36 -5.902 -8.395 2.011 1.00 0.00 N ATOM 431 CA ARG A 36 -4.481 -8.056 2.028 1.00 0.00 C ATOM 432 C ARG A 36 -3.617 -9.169 2.627 1.00 0.00 C ATOM 433 O ARG A 36 -3.886 -9.653 3.721 1.00 0.00 O ATOM 434 CB ARG A 36 -4.241 -6.735 2.778 1.00 0.00 C ATOM 435 CG ARG A 36 -4.656 -6.746 4.242 1.00 0.00 C ATOM 436 CD ARG A 36 -4.338 -5.434 4.935 1.00 0.00 C ATOM 437 NE ARG A 36 -4.854 -5.416 6.308 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.549 -4.514 7.253 1.00 0.00 C ATOM 439 NH1 ARG A 36 -3.688 -3.545 7.005 1.00 0.00 N ATOM 440 NH2 ARG A 36 -5.123 -4.580 8.443 1.00 0.00 N ATOM 0 H ARG A 36 -6.482 -7.769 2.569 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.178 -7.936 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.181 -6.487 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.784 -5.940 2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.726 -6.944 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.146 -7.560 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.259 -5.280 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.771 -4.608 4.371 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.504 -6.157 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.247 -3.477 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.463 -2.864 7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.799 -5.318 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.890 -3.893 9.160 1.00 0.00 H new ATOM 454 N VAL A 37 -2.626 -9.602 1.876 1.00 0.00 N ATOM 455 CA VAL A 37 -1.658 -10.580 2.335 1.00 0.00 C ATOM 456 C VAL A 37 -0.308 -9.882 2.373 1.00 0.00 C ATOM 457 O VAL A 37 0.120 -9.322 1.360 1.00 0.00 O ATOM 458 CB VAL A 37 -1.554 -11.793 1.378 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.587 -12.834 1.919 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.914 -12.414 1.102 1.00 0.00 C ATOM 0 H VAL A 37 -2.467 -9.283 0.920 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.967 -10.956 3.311 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.164 -11.422 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.533 -13.675 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.402 -12.390 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.936 -13.185 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.797 -13.261 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.355 -12.755 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.567 -11.672 0.643 1.00 0.00 H new ATOM 470 N LEU A 38 0.322 -9.869 3.529 1.00 0.00 N ATOM 471 CA LEU A 38 1.609 -9.221 3.713 1.00 0.00 C ATOM 472 C LEU A 38 2.709 -9.791 2.832 1.00 0.00 C ATOM 473 O LEU A 38 3.056 -10.975 2.911 1.00 0.00 O ATOM 474 CB LEU A 38 2.070 -9.282 5.158 1.00 0.00 C ATOM 475 CG LEU A 38 3.476 -8.734 5.388 1.00 0.00 C ATOM 476 CD1 LEU A 38 3.558 -7.250 5.101 1.00 0.00 C ATOM 477 CD2 LEU A 38 3.944 -9.036 6.776 1.00 0.00 C ATOM 0 H LEU A 38 -0.044 -10.309 4.373 1.00 0.00 H new ATOM 0 HA LEU A 38 1.439 -8.186 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.368 -8.722 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.036 -10.318 5.496 1.00 0.00 H new ATOM 0 HG LEU A 38 4.139 -9.236 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.575 -6.901 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.286 -7.065 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.872 -6.714 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.948 -8.636 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.267 -8.577 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.959 -10.115 6.928 1.00 0.00 H new ATOM 489 N LEU A 39 3.203 -8.952 1.965 1.00 0.00 N ATOM 490 CA LEU A 39 4.326 -9.282 1.133 1.00 0.00 C ATOM 491 C LEU A 39 5.631 -8.832 1.786 1.00 0.00 C ATOM 492 O LEU A 39 6.539 -9.632 2.032 1.00 0.00 O ATOM 493 CB LEU A 39 4.144 -8.664 -0.250 1.00 0.00 C ATOM 494 CG LEU A 39 2.876 -9.111 -0.981 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.740 -8.419 -2.322 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.875 -10.616 -1.155 1.00 0.00 C ATOM 0 H LEU A 39 2.835 -8.013 1.815 1.00 0.00 H new ATOM 0 HA LEU A 39 4.380 -10.364 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.128 -7.579 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.010 -8.915 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 39 2.017 -8.826 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.829 -8.758 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.691 -7.341 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.602 -8.660 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.968 -10.921 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.746 -10.916 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.910 -11.095 -0.177 1.00 0.00 H new ATOM 508 N MET A 40 5.682 -7.551 2.124 1.00 0.00 N ATOM 509 CA MET A 40 6.911 -6.908 2.586 1.00 0.00 C ATOM 510 C MET A 40 6.620 -5.549 3.235 1.00 0.00 C ATOM 511 O MET A 40 5.655 -4.873 2.859 1.00 0.00 O ATOM 512 CB MET A 40 7.789 -6.663 1.350 1.00 0.00 C ATOM 513 CG MET A 40 9.116 -5.961 1.606 1.00 0.00 C ATOM 514 SD MET A 40 10.339 -6.986 2.437 1.00 0.00 S ATOM 515 CE MET A 40 10.645 -8.231 1.180 1.00 0.00 C ATOM 0 H MET A 40 4.876 -6.927 2.087 1.00 0.00 H new ATOM 0 HA MET A 40 7.396 -7.548 3.323 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.993 -7.624 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.219 -6.071 0.635 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.526 -5.624 0.654 1.00 0.00 H new ATOM 0 HG3 MET A 40 8.934 -5.071 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.609 -8.705 1.364 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.858 -8.984 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.654 -7.761 0.197 1.00 0.00 H new ATOM 525 N TYR A 41 7.442 -5.180 4.204 1.00 0.00 N ATOM 526 CA TYR A 41 7.420 -3.864 4.828 1.00 0.00 C ATOM 527 C TYR A 41 8.556 -3.045 4.227 1.00 0.00 C ATOM 528 O TYR A 41 9.711 -3.480 4.249 1.00 0.00 O ATOM 529 CB TYR A 41 7.651 -3.938 6.340 1.00 0.00 C ATOM 530 CG TYR A 41 6.533 -4.509 7.178 1.00 0.00 C ATOM 531 CD1 TYR A 41 6.457 -5.861 7.456 1.00 0.00 C ATOM 532 CD2 TYR A 41 5.564 -3.677 7.715 1.00 0.00 C ATOM 533 CE1 TYR A 41 5.445 -6.368 8.241 1.00 0.00 C ATOM 534 CE2 TYR A 41 4.547 -4.182 8.499 1.00 0.00 C ATOM 535 CZ TYR A 41 4.493 -5.524 8.758 1.00 0.00 C ATOM 536 OH TYR A 41 3.475 -6.028 9.538 1.00 0.00 O ATOM 0 H TYR A 41 8.158 -5.798 4.587 1.00 0.00 H new ATOM 0 HA TYR A 41 6.441 -3.419 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.546 -4.535 6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.863 -2.931 6.700 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.202 -6.530 7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.605 -2.616 7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.400 -7.427 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.797 -3.520 8.906 1.00 0.00 H new ATOM 0 HH TYR A 41 2.889 -5.296 9.823 1.00 0.00 H new ATOM 546 N VAL A 42 8.235 -1.894 3.686 1.00 0.00 N ATOM 547 CA VAL A 42 9.204 -1.007 3.083 1.00 0.00 C ATOM 548 C VAL A 42 9.208 0.281 3.877 1.00 0.00 C ATOM 549 O VAL A 42 8.168 0.752 4.277 1.00 0.00 O ATOM 550 CB VAL A 42 8.844 -0.707 1.615 1.00 0.00 C ATOM 551 CG1 VAL A 42 9.902 0.160 0.936 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.667 -2.006 0.863 1.00 0.00 C ATOM 0 H VAL A 42 7.279 -1.541 3.651 1.00 0.00 H new ATOM 0 HA VAL A 42 10.187 -1.478 3.095 1.00 0.00 H new ATOM 0 HB VAL A 42 7.910 -0.146 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.610 0.348 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.991 1.108 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.862 -0.357 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.412 -1.794 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.595 -2.577 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.866 -2.586 1.322 1.00 0.00 H new ATOM 562 N ARG A 43 10.350 0.827 4.139 1.00 0.00 N ATOM 563 CA ARG A 43 10.451 2.064 4.864 1.00 0.00 C ATOM 564 C ARG A 43 10.385 3.182 3.836 1.00 0.00 C ATOM 565 O ARG A 43 10.936 3.029 2.738 1.00 0.00 O ATOM 566 CB ARG A 43 11.788 2.102 5.603 1.00 0.00 C ATOM 567 CG ARG A 43 11.971 3.274 6.549 1.00 0.00 C ATOM 568 CD ARG A 43 10.987 3.196 7.699 1.00 0.00 C ATOM 569 NE ARG A 43 11.132 4.309 8.626 1.00 0.00 N ATOM 570 CZ ARG A 43 10.313 4.557 9.651 1.00 0.00 C ATOM 571 NH1 ARG A 43 9.207 3.829 9.824 1.00 0.00 N ATOM 572 NH2 ARG A 43 10.578 5.575 10.460 1.00 0.00 N ATOM 0 H ARG A 43 11.247 0.431 3.858 1.00 0.00 H new ATOM 0 HA ARG A 43 9.651 2.169 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.898 1.178 6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.591 2.121 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.990 3.279 6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.831 4.210 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.971 3.184 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.132 2.258 8.235 1.00 0.00 H new ATOM 0 HE ARG A 43 11.916 4.945 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.983 3.078 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.586 4.024 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.399 6.157 10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.960 5.775 11.247 1.00 0.00 H new ATOM 586 N ILE A 44 9.692 4.261 4.159 1.00 0.00 N ATOM 587 CA ILE A 44 9.589 5.401 3.228 1.00 0.00 C ATOM 588 C ILE A 44 10.982 5.910 2.882 1.00 0.00 C ATOM 589 O ILE A 44 11.840 6.089 3.751 1.00 0.00 O ATOM 590 CB ILE A 44 8.800 6.626 3.769 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.459 6.237 4.351 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.598 7.691 2.691 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.443 5.601 3.446 1.00 0.00 C ATOM 0 H ILE A 44 9.195 4.383 5.041 1.00 0.00 H new ATOM 0 HA ILE A 44 9.046 5.002 2.371 1.00 0.00 H new ATOM 0 HB ILE A 44 9.412 7.043 4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.643 5.551 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.009 7.134 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.043 8.531 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.568 8.038 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.039 7.264 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.538 5.382 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.205 6.283 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.848 4.675 3.038 1.00 0.00 H new ATOM 605 N GLY A 45 11.206 6.047 1.609 1.00 0.00 N ATOM 606 CA GLY A 45 12.428 6.618 1.096 1.00 0.00 C ATOM 607 C GLY A 45 13.331 5.559 0.534 1.00 0.00 C ATOM 608 O GLY A 45 14.285 5.847 -0.202 1.00 0.00 O ATOM 0 H GLY A 45 10.544 5.765 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.194 7.348 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.944 7.154 1.893 1.00 0.00 H new ATOM 612 N ASN A 46 13.012 4.337 0.864 1.00 0.00 N ATOM 613 CA ASN A 46 13.788 3.192 0.472 1.00 0.00 C ATOM 614 C ASN A 46 13.074 2.434 -0.621 1.00 0.00 C ATOM 615 O ASN A 46 11.875 2.626 -0.869 1.00 0.00 O ATOM 616 CB ASN A 46 13.979 2.309 1.687 1.00 0.00 C ATOM 617 CG ASN A 46 14.820 1.052 1.483 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.773 1.024 0.696 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.480 -0.002 2.171 1.00 0.00 N ATOM 0 H ASN A 46 12.191 4.105 1.423 1.00 0.00 H new ATOM 0 HA ASN A 46 14.758 3.508 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.440 2.905 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.996 2.008 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.004 -0.871 2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.690 0.042 2.815 1.00 0.00 H new ATOM 626 N THR A 47 13.824 1.611 -1.275 1.00 0.00 N ATOM 627 CA THR A 47 13.344 0.764 -2.320 1.00 0.00 C ATOM 628 C THR A 47 13.363 -0.678 -1.854 1.00 0.00 C ATOM 629 O THR A 47 14.201 -1.063 -1.026 1.00 0.00 O ATOM 630 CB THR A 47 14.217 0.907 -3.560 1.00 0.00 C ATOM 631 OG1 THR A 47 15.608 0.789 -3.194 1.00 0.00 O ATOM 632 CG2 THR A 47 13.993 2.235 -4.255 1.00 0.00 C ATOM 0 H THR A 47 14.822 1.505 -1.092 1.00 0.00 H new ATOM 0 HA THR A 47 12.324 1.057 -2.569 1.00 0.00 H new ATOM 0 HB THR A 47 13.941 0.111 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.166 0.880 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.634 2.298 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.950 2.315 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.234 3.049 -3.571 1.00 0.00 H new ATOM 640 N ALA A 48 12.486 -1.478 -2.392 1.00 0.00 N ATOM 641 CA ALA A 48 12.406 -2.876 -1.958 1.00 0.00 C ATOM 642 C ALA A 48 11.893 -3.843 -3.011 1.00 0.00 C ATOM 643 O ALA A 48 10.895 -3.589 -3.679 1.00 0.00 O ATOM 644 CB ALA A 48 11.586 -3.024 -0.689 1.00 0.00 C ATOM 0 H ALA A 48 11.822 -1.210 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 48 13.443 -3.152 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.550 -4.074 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.045 -2.443 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.573 -2.662 -0.866 1.00 0.00 H new ATOM 650 N THR A 49 12.624 -4.923 -3.155 1.00 0.00 N ATOM 651 CA THR A 49 12.298 -6.045 -4.002 1.00 0.00 C ATOM 652 C THR A 49 11.108 -6.808 -3.415 1.00 0.00 C ATOM 653 O THR A 49 11.223 -7.442 -2.363 1.00 0.00 O ATOM 654 CB THR A 49 13.509 -6.990 -3.986 1.00 0.00 C ATOM 655 OG1 THR A 49 14.709 -6.202 -4.012 1.00 0.00 O ATOM 656 CG2 THR A 49 13.497 -7.915 -5.190 1.00 0.00 C ATOM 0 H THR A 49 13.507 -5.049 -2.659 1.00 0.00 H new ATOM 0 HA THR A 49 12.055 -5.700 -5.007 1.00 0.00 H new ATOM 0 HB THR A 49 13.466 -7.600 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.808 -5.786 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.366 -8.572 -5.152 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.587 -8.515 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.530 -7.323 -6.104 1.00 0.00 H new ATOM 664 N ILE A 50 9.964 -6.712 -4.047 1.00 0.00 N ATOM 665 CA ILE A 50 8.804 -7.452 -3.584 1.00 0.00 C ATOM 666 C ILE A 50 8.654 -8.672 -4.454 1.00 0.00 C ATOM 667 O ILE A 50 8.308 -8.538 -5.605 1.00 0.00 O ATOM 668 CB ILE A 50 7.489 -6.648 -3.772 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.600 -5.212 -3.259 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.304 -7.361 -3.124 1.00 0.00 C ATOM 671 CD1 ILE A 50 7.944 -5.104 -1.809 1.00 0.00 C ATOM 0 H ILE A 50 9.806 -6.137 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 50 8.957 -7.677 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 50 7.314 -6.593 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.358 -4.688 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.653 -4.701 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.399 -6.772 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.177 -8.343 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.489 -7.477 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.003 -4.053 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.174 -5.597 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.906 -5.583 -1.627 1.00 0.00 H new ATOM 683 N THR A 51 8.912 -9.835 -3.948 1.00 0.00 N ATOM 684 CA THR A 51 8.643 -10.995 -4.753 1.00 0.00 C ATOM 685 C THR A 51 7.224 -11.456 -4.434 1.00 0.00 C ATOM 686 O THR A 51 6.891 -11.697 -3.265 1.00 0.00 O ATOM 687 CB THR A 51 9.645 -12.128 -4.449 1.00 0.00 C ATOM 688 OG1 THR A 51 10.996 -11.673 -4.654 1.00 0.00 O ATOM 689 CG2 THR A 51 9.381 -13.364 -5.304 1.00 0.00 C ATOM 0 H THR A 51 9.294 -10.011 -3.019 1.00 0.00 H new ATOM 0 HA THR A 51 8.745 -10.744 -5.809 1.00 0.00 H new ATOM 0 HB THR A 51 9.511 -12.407 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.305 -11.955 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.108 -14.138 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.375 -13.735 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.470 -13.103 -6.358 1.00 0.00 H new ATOM 697 N ALA A 52 6.405 -11.537 -5.460 1.00 0.00 N ATOM 698 CA ALA A 52 5.047 -12.015 -5.354 1.00 0.00 C ATOM 699 C ALA A 52 4.667 -12.642 -6.680 1.00 0.00 C ATOM 700 O ALA A 52 4.864 -12.029 -7.728 1.00 0.00 O ATOM 701 CB ALA A 52 4.097 -10.882 -4.995 1.00 0.00 C ATOM 0 H ALA A 52 6.671 -11.267 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 52 4.974 -12.755 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.081 -11.269 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.391 -10.450 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.138 -10.114 -5.768 1.00 0.00 H new ATOM 707 N ARG A 53 4.212 -13.886 -6.634 1.00 0.00 N ATOM 708 CA ARG A 53 3.777 -14.671 -7.801 1.00 0.00 C ATOM 709 C ARG A 53 4.950 -14.956 -8.726 1.00 0.00 C ATOM 710 O ARG A 53 4.787 -15.279 -9.902 1.00 0.00 O ATOM 711 CB ARG A 53 2.645 -13.994 -8.581 1.00 0.00 C ATOM 712 CG ARG A 53 1.380 -13.735 -7.787 1.00 0.00 C ATOM 713 CD ARG A 53 0.334 -13.143 -8.708 1.00 0.00 C ATOM 714 NE ARG A 53 -0.928 -12.796 -8.049 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.103 -12.721 -8.682 1.00 0.00 C ATOM 716 NH1 ARG A 53 -2.236 -13.254 -9.900 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.158 -12.183 -8.080 1.00 0.00 N ATOM 0 H ARG A 53 4.129 -14.402 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 53 3.385 -15.611 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.011 -13.044 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.395 -14.616 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.014 -14.663 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.586 -13.052 -6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.744 -12.247 -9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.128 -13.854 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.909 -12.600 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.442 -13.716 -10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.131 -13.199 -10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.074 -11.824 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.052 -12.129 -8.569 1.00 0.00 H new ATOM 731 N GLY A 54 6.126 -14.879 -8.158 1.00 0.00 N ATOM 732 CA GLY A 54 7.350 -15.085 -8.899 1.00 0.00 C ATOM 733 C GLY A 54 7.800 -13.826 -9.600 1.00 0.00 C ATOM 734 O GLY A 54 8.644 -13.860 -10.501 1.00 0.00 O ATOM 0 H GLY A 54 6.265 -14.672 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.133 -15.423 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.201 -15.877 -9.633 1.00 0.00 H new ATOM 738 N HIS A 55 7.218 -12.711 -9.229 1.00 0.00 N ATOM 739 CA HIS A 55 7.596 -11.450 -9.813 1.00 0.00 C ATOM 740 C HIS A 55 8.205 -10.571 -8.754 1.00 0.00 C ATOM 741 O HIS A 55 7.621 -10.407 -7.691 1.00 0.00 O ATOM 742 CB HIS A 55 6.386 -10.715 -10.411 1.00 0.00 C ATOM 743 CG HIS A 55 5.703 -11.413 -11.545 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.735 -10.970 -12.844 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.920 -12.517 -11.550 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.989 -11.790 -13.584 1.00 0.00 C ATOM 747 NE2 HIS A 55 4.468 -12.753 -12.844 1.00 0.00 N ATOM 0 H HIS A 55 6.481 -12.653 -8.526 1.00 0.00 H new ATOM 0 HA HIS A 55 8.310 -11.657 -10.610 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.657 -10.548 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.713 -9.734 -10.755 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.683 -13.120 -10.686 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.831 -11.682 -14.647 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.861 -13.511 -13.157 1.00 0.00 H new ATOM 755 N GLU A 56 9.389 -10.067 -9.020 1.00 0.00 N ATOM 756 CA GLU A 56 10.007 -9.071 -8.193 1.00 0.00 C ATOM 757 C GLU A 56 9.519 -7.704 -8.622 1.00 0.00 C ATOM 758 O GLU A 56 9.739 -7.288 -9.762 1.00 0.00 O ATOM 759 CB GLU A 56 11.522 -9.069 -8.358 1.00 0.00 C ATOM 760 CG GLU A 56 12.264 -10.164 -7.641 1.00 0.00 C ATOM 761 CD GLU A 56 11.979 -11.559 -8.098 1.00 0.00 C ATOM 762 OE1 GLU A 56 11.902 -11.814 -9.319 1.00 0.00 O ATOM 763 OE2 GLU A 56 11.876 -12.437 -7.222 1.00 0.00 O ATOM 0 H GLU A 56 9.950 -10.344 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 56 9.749 -9.296 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.752 -9.137 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.904 -8.110 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.333 -9.980 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.032 -10.097 -6.578 1.00 0.00 H new ATOM 770 N PHE A 57 8.847 -7.026 -7.754 1.00 0.00 N ATOM 771 CA PHE A 57 8.448 -5.692 -8.008 1.00 0.00 C ATOM 772 C PHE A 57 9.369 -4.867 -7.159 1.00 0.00 C ATOM 773 O PHE A 57 9.220 -4.837 -5.948 1.00 0.00 O ATOM 774 CB PHE A 57 7.001 -5.457 -7.578 1.00 0.00 C ATOM 775 CG PHE A 57 5.989 -6.370 -8.209 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.493 -6.111 -9.478 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.511 -7.473 -7.519 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.544 -6.937 -10.045 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.566 -8.302 -8.085 1.00 0.00 C ATOM 780 CZ PHE A 57 4.080 -8.033 -9.346 1.00 0.00 C ATOM 0 H PHE A 57 8.560 -7.388 -6.845 1.00 0.00 H new ATOM 0 HA PHE A 57 8.501 -5.446 -9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.939 -5.565 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.732 -4.427 -7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.853 -5.254 -10.028 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.883 -7.685 -6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.165 -6.726 -11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.207 -9.162 -7.540 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.336 -8.680 -9.787 1.00 0.00 H new ATOM 790 N GLU A 58 10.384 -4.305 -7.751 1.00 0.00 N ATOM 791 CA GLU A 58 11.273 -3.475 -6.991 1.00 0.00 C ATOM 792 C GLU A 58 10.529 -2.155 -6.870 1.00 0.00 C ATOM 793 O GLU A 58 10.270 -1.480 -7.864 1.00 0.00 O ATOM 794 CB GLU A 58 12.605 -3.326 -7.726 1.00 0.00 C ATOM 795 CG GLU A 58 13.734 -2.684 -6.928 1.00 0.00 C ATOM 796 CD GLU A 58 14.327 -3.560 -5.856 1.00 0.00 C ATOM 797 OE1 GLU A 58 14.704 -4.710 -6.145 1.00 0.00 O ATOM 798 OE2 GLU A 58 14.516 -3.086 -4.717 1.00 0.00 O ATOM 0 H GLU A 58 10.614 -4.403 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 58 11.523 -3.882 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.931 -4.314 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.438 -2.733 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.526 -2.391 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.359 -1.771 -6.465 1.00 0.00 H new ATOM 805 N VAL A 59 10.094 -1.854 -5.685 1.00 0.00 N ATOM 806 CA VAL A 59 9.301 -0.671 -5.449 1.00 0.00 C ATOM 807 C VAL A 59 10.154 0.440 -4.909 1.00 0.00 C ATOM 808 O VAL A 59 11.250 0.204 -4.407 1.00 0.00 O ATOM 809 CB VAL A 59 8.134 -0.917 -4.473 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.225 -2.043 -4.931 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.670 -1.199 -3.110 1.00 0.00 C ATOM 0 H VAL A 59 10.274 -2.415 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 59 8.881 -0.393 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 59 7.527 -0.012 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.419 -2.176 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.803 -1.796 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.800 -2.966 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.842 -1.372 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.305 -2.084 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.255 -0.346 -2.766 1.00 0.00 H new ATOM 821 N GLU A 60 9.632 1.623 -5.004 1.00 0.00 N ATOM 822 CA GLU A 60 10.269 2.799 -4.525 1.00 0.00 C ATOM 823 C GLU A 60 9.240 3.541 -3.706 1.00 0.00 C ATOM 824 O GLU A 60 8.306 4.151 -4.247 1.00 0.00 O ATOM 825 CB GLU A 60 10.805 3.613 -5.707 1.00 0.00 C ATOM 826 CG GLU A 60 11.502 4.909 -5.343 1.00 0.00 C ATOM 827 CD GLU A 60 12.211 5.522 -6.530 1.00 0.00 C ATOM 828 OE1 GLU A 60 11.590 5.717 -7.599 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.409 5.852 -6.412 1.00 0.00 O ATOM 0 H GLU A 60 8.722 1.797 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 60 11.134 2.583 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.502 2.991 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.974 3.842 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.771 5.617 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.223 4.722 -4.547 1.00 0.00 H new ATOM 836 N ALA A 61 9.370 3.423 -2.400 1.00 0.00 N ATOM 837 CA ALA A 61 8.428 4.060 -1.499 1.00 0.00 C ATOM 838 C ALA A 61 8.734 5.545 -1.408 1.00 0.00 C ATOM 839 O ALA A 61 9.559 5.980 -0.604 1.00 0.00 O ATOM 840 CB ALA A 61 8.438 3.407 -0.122 1.00 0.00 C ATOM 0 H ALA A 61 10.113 2.896 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 61 7.423 3.931 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.720 3.911 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.166 2.356 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.435 3.487 0.311 1.00 0.00 H new ATOM 846 N LYS A 62 8.106 6.283 -2.306 1.00 0.00 N ATOM 847 CA LYS A 62 8.267 7.727 -2.430 1.00 0.00 C ATOM 848 C LYS A 62 7.772 8.490 -1.218 1.00 0.00 C ATOM 849 O LYS A 62 8.516 9.246 -0.594 1.00 0.00 O ATOM 850 CB LYS A 62 7.480 8.238 -3.631 1.00 0.00 C ATOM 851 CG LYS A 62 7.962 7.796 -4.977 1.00 0.00 C ATOM 852 CD LYS A 62 9.350 8.310 -5.271 1.00 0.00 C ATOM 853 CE LYS A 62 9.733 8.003 -6.695 1.00 0.00 C ATOM 854 NZ LYS A 62 8.998 8.825 -7.686 1.00 0.00 N ATOM 0 H LYS A 62 7.455 5.890 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 62 9.338 7.897 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.442 7.923 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.487 9.328 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.960 6.707 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.273 8.150 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.390 9.386 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.066 7.853 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.804 8.165 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.545 6.948 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.441 8.719 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.008 8.509 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.029 9.824 -7.399 1.00 0.00 H new ATOM 868 N ASP A 63 6.513 8.314 -0.906 1.00 0.00 N ATOM 869 CA ASP A 63 5.903 9.077 0.183 1.00 0.00 C ATOM 870 C ASP A 63 5.009 8.147 0.987 1.00 0.00 C ATOM 871 O ASP A 63 4.651 7.065 0.510 1.00 0.00 O ATOM 872 CB ASP A 63 5.076 10.252 -0.381 1.00 0.00 C ATOM 873 CG ASP A 63 4.851 11.412 0.593 1.00 0.00 C ATOM 874 OD1 ASP A 63 5.042 12.576 0.194 1.00 0.00 O ATOM 875 OD2 ASP A 63 4.518 11.206 1.775 1.00 0.00 O ATOM 0 H ASP A 63 5.887 7.661 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 63 6.683 9.488 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.577 10.636 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.106 9.873 -0.701 1.00 0.00 H new ATOM 880 N GLN A 64 4.580 8.614 2.145 1.00 0.00 N ATOM 881 CA GLN A 64 3.814 7.858 3.129 1.00 0.00 C ATOM 882 C GLN A 64 2.356 7.674 2.736 1.00 0.00 C ATOM 883 O GLN A 64 1.564 7.132 3.503 1.00 0.00 O ATOM 884 CB GLN A 64 3.935 8.508 4.511 1.00 0.00 C ATOM 885 CG GLN A 64 3.433 9.943 4.569 1.00 0.00 C ATOM 886 CD GLN A 64 3.646 10.584 5.917 1.00 0.00 C ATOM 887 OE1 GLN A 64 2.798 10.500 6.795 1.00 0.00 O ATOM 888 NE2 GLN A 64 4.766 11.243 6.091 1.00 0.00 N ATOM 0 H GLN A 64 4.762 9.573 2.442 1.00 0.00 H new ATOM 0 HA GLN A 64 4.245 6.858 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.377 7.910 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.980 8.487 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.943 10.532 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.370 9.961 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.451 11.292 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.952 11.706 6.980 1.00 0.00 H new ATOM 897 N ASN A 65 2.000 8.117 1.540 1.00 0.00 N ATOM 898 CA ASN A 65 0.663 7.888 1.028 1.00 0.00 C ATOM 899 C ASN A 65 0.600 6.469 0.496 1.00 0.00 C ATOM 900 O ASN A 65 -0.476 5.923 0.249 1.00 0.00 O ATOM 901 CB ASN A 65 0.290 8.870 -0.079 1.00 0.00 C ATOM 902 CG ASN A 65 0.388 10.316 0.340 1.00 0.00 C ATOM 903 OD1 ASN A 65 1.413 10.959 0.130 1.00 0.00 O ATOM 904 ND2 ASN A 65 -0.639 10.840 0.956 1.00 0.00 N ATOM 0 H ASN A 65 2.615 8.633 0.911 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.050 8.038 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.942 8.704 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.728 8.664 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.602 11.808 1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.477 10.281 1.116 1.00 0.00 H new ATOM 911 N CYS A 66 1.788 5.914 0.294 1.00 0.00 N ATOM 912 CA CYS A 66 2.005 4.541 -0.092 1.00 0.00 C ATOM 913 C CYS A 66 1.376 4.097 -1.398 1.00 0.00 C ATOM 914 O CYS A 66 0.551 3.186 -1.446 1.00 0.00 O ATOM 915 CB CYS A 66 1.744 3.593 1.065 1.00 0.00 C ATOM 916 SG CYS A 66 2.886 3.902 2.447 1.00 0.00 S ATOM 0 H CYS A 66 2.657 6.437 0.401 1.00 0.00 H new ATOM 0 HA CYS A 66 3.067 4.491 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.716 3.709 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.852 2.563 0.725 1.00 0.00 H new ATOM 921 N LYS A 67 1.687 4.808 -2.455 1.00 0.00 N ATOM 922 CA LYS A 67 1.323 4.354 -3.768 1.00 0.00 C ATOM 923 C LYS A 67 2.261 3.271 -4.177 1.00 0.00 C ATOM 924 O LYS A 67 3.390 3.163 -3.665 1.00 0.00 O ATOM 925 CB LYS A 67 1.381 5.462 -4.803 1.00 0.00 C ATOM 926 CG LYS A 67 0.201 6.360 -4.867 1.00 0.00 C ATOM 927 CD LYS A 67 0.006 7.010 -3.534 1.00 0.00 C ATOM 928 CE LYS A 67 -1.021 8.083 -3.615 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.364 7.598 -4.030 1.00 0.00 N ATOM 0 H LYS A 67 2.188 5.696 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 67 0.294 3.997 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.264 6.070 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.520 5.008 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.347 7.118 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.688 5.793 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.299 6.263 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.950 7.430 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.105 8.567 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.685 8.842 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.049 8.378 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.321 7.253 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.662 6.823 -3.404 1.00 0.00 H new ATOM 943 N VAL A 68 1.812 2.479 -5.082 1.00 0.00 N ATOM 944 CA VAL A 68 2.676 1.455 -5.586 1.00 0.00 C ATOM 945 C VAL A 68 3.444 2.021 -6.763 1.00 0.00 C ATOM 946 O VAL A 68 2.955 2.148 -7.888 1.00 0.00 O ATOM 947 CB VAL A 68 2.006 0.086 -5.881 1.00 0.00 C ATOM 948 CG1 VAL A 68 0.871 0.168 -6.895 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.064 -0.913 -6.322 1.00 0.00 C ATOM 0 H VAL A 68 0.876 2.510 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 68 3.364 1.185 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 68 1.542 -0.251 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.450 -0.825 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.095 0.835 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.254 0.553 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.593 -1.874 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.556 -0.548 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.803 -1.034 -5.530 1.00 0.00 H new ATOM 959 N ILE A 69 4.644 2.415 -6.472 1.00 0.00 N ATOM 960 CA ILE A 69 5.496 3.032 -7.438 1.00 0.00 C ATOM 961 C ILE A 69 6.695 2.164 -7.518 1.00 0.00 C ATOM 962 O ILE A 69 7.339 1.904 -6.506 1.00 0.00 O ATOM 963 CB ILE A 69 5.887 4.459 -6.997 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.620 5.293 -6.868 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.848 5.098 -7.996 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.800 6.621 -6.174 1.00 0.00 C ATOM 0 H ILE A 69 5.064 2.316 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 69 5.001 3.131 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 69 6.399 4.412 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.218 5.472 -7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.875 4.713 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.107 6.102 -7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.753 4.495 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.371 5.154 -8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.843 7.141 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.169 6.456 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.518 7.227 -6.728 1.00 0.00 H new ATOM 978 N LEU A 70 6.952 1.657 -8.679 1.00 0.00 N ATOM 979 CA LEU A 70 8.076 0.815 -8.826 1.00 0.00 C ATOM 980 C LEU A 70 9.280 1.651 -9.093 1.00 0.00 C ATOM 981 O LEU A 70 9.165 2.809 -9.502 1.00 0.00 O ATOM 982 CB LEU A 70 7.914 -0.249 -9.903 1.00 0.00 C ATOM 983 CG LEU A 70 6.781 -1.258 -9.735 1.00 0.00 C ATOM 984 CD1 LEU A 70 6.738 -1.837 -8.341 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.470 -0.653 -10.125 1.00 0.00 C ATOM 0 H LEU A 70 6.403 1.812 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 70 8.189 0.267 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.774 0.258 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.850 -0.803 -9.971 1.00 0.00 H new ATOM 0 HG LEU A 70 6.980 -2.091 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.916 -2.550 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.679 -2.345 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.588 -1.035 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.677 -1.390 -9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.266 0.212 -9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.510 -0.340 -11.168 1.00 0.00 H new ATOM 997 N THR A 71 10.407 1.072 -8.852 1.00 0.00 N ATOM 998 CA THR A 71 11.696 1.732 -9.091 1.00 0.00 C ATOM 999 C THR A 71 11.872 2.157 -10.531 1.00 0.00 C ATOM 1000 O THR A 71 12.445 3.203 -10.824 1.00 0.00 O ATOM 1001 CB THR A 71 12.843 0.802 -8.744 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.619 -0.467 -9.376 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.901 0.640 -7.267 1.00 0.00 C ATOM 0 H THR A 71 10.487 0.125 -8.482 1.00 0.00 H new ATOM 0 HA THR A 71 11.702 2.618 -8.455 1.00 0.00 H new ATOM 0 HB THR A 71 13.789 1.214 -9.095 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.466 -0.957 -9.436 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.723 -0.027 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.061 1.612 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.962 0.216 -6.910 1.00 0.00 H new ATOM 1011 N ASN A 72 11.340 1.360 -11.420 1.00 0.00 N ATOM 1012 CA ASN A 72 11.481 1.592 -12.839 1.00 0.00 C ATOM 1013 C ASN A 72 10.421 2.578 -13.295 1.00 0.00 C ATOM 1014 O ASN A 72 10.385 3.020 -14.437 1.00 0.00 O ATOM 1015 CB ASN A 72 11.488 0.256 -13.592 1.00 0.00 C ATOM 1016 CG ASN A 72 10.222 -0.562 -13.465 1.00 0.00 C ATOM 1017 OD1 ASN A 72 9.443 -0.405 -12.525 1.00 0.00 O ATOM 1018 ND2 ASN A 72 10.043 -1.492 -14.370 1.00 0.00 N ATOM 0 H ASN A 72 10.796 0.530 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 72 12.440 2.055 -13.070 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.669 0.454 -14.648 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.325 -0.342 -13.231 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.237 -2.115 -14.309 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.709 -1.593 -15.136 1.00 0.00 H new ATOM 1025 N GLY A 73 9.537 2.881 -12.363 1.00 0.00 N ATOM 1026 CA GLY A 73 8.570 3.947 -12.515 1.00 0.00 C ATOM 1027 C GLY A 73 7.332 3.475 -13.190 1.00 0.00 C ATOM 1028 O GLY A 73 6.532 4.265 -13.687 1.00 0.00 O ATOM 0 H GLY A 73 9.471 2.389 -11.472 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.318 4.352 -11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.012 4.759 -13.092 1.00 0.00 H new ATOM 1032 N LYS A 74 7.177 2.186 -13.198 1.00 0.00 N ATOM 1033 CA LYS A 74 6.080 1.564 -13.882 1.00 0.00 C ATOM 1034 C LYS A 74 4.845 1.388 -13.033 1.00 0.00 C ATOM 1035 O LYS A 74 4.781 1.786 -11.860 1.00 0.00 O ATOM 1036 CB LYS A 74 6.570 0.240 -14.403 1.00 0.00 C ATOM 1037 CG LYS A 74 7.744 0.401 -15.339 1.00 0.00 C ATOM 1038 CD LYS A 74 7.357 0.921 -16.699 1.00 0.00 C ATOM 1039 CE LYS A 74 8.563 0.940 -17.619 1.00 0.00 C ATOM 1040 NZ LYS A 74 8.212 1.368 -18.990 1.00 0.00 N ATOM 0 H LYS A 74 7.807 1.534 -12.731 1.00 0.00 H new ATOM 0 HA LYS A 74 5.763 2.221 -14.691 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.858 -0.395 -13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.758 -0.268 -14.923 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.467 1.082 -14.890 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.242 -0.562 -15.454 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.575 0.294 -17.127 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.945 1.926 -16.608 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.318 1.613 -17.212 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.008 -0.055 -17.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.066 1.366 -19.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.511 0.712 -19.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.812 2.327 -18.962 1.00 0.00 H new ATOM 1054 N GLN A 75 3.854 0.835 -13.677 1.00 0.00 N ATOM 1055 CA GLN A 75 2.605 0.478 -13.057 1.00 0.00 C ATOM 1056 C GLN A 75 2.662 -0.964 -12.607 1.00 0.00 C ATOM 1057 O GLN A 75 3.230 -1.833 -13.287 1.00 0.00 O ATOM 1058 CB GLN A 75 1.428 0.636 -14.006 1.00 0.00 C ATOM 1059 CG GLN A 75 1.241 2.028 -14.558 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.011 2.111 -15.390 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.002 1.865 -16.594 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -1.097 2.461 -14.767 1.00 0.00 N ATOM 0 H GLN A 75 3.892 0.614 -14.672 1.00 0.00 H new ATOM 0 HA GLN A 75 2.459 1.150 -12.211 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.556 -0.056 -14.839 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.517 0.342 -13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.186 2.744 -13.738 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.104 2.302 -15.164 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.070 2.658 -13.767 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.976 2.538 -15.279 1.00 0.00 H new ATOM 1071 N ALA A 76 2.089 -1.200 -11.469 1.00 0.00 N ATOM 1072 CA ALA A 76 2.001 -2.519 -10.890 1.00 0.00 C ATOM 1073 C ALA A 76 0.554 -2.978 -10.997 1.00 0.00 C ATOM 1074 O ALA A 76 -0.334 -2.144 -11.229 1.00 0.00 O ATOM 1075 CB ALA A 76 2.425 -2.478 -9.426 1.00 0.00 C ATOM 0 H ALA A 76 1.658 -0.472 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 76 2.661 -3.208 -11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.355 -3.478 -8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.454 -2.124 -9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.770 -1.802 -8.876 1.00 0.00 H new ATOM 1081 N PRO A 77 0.305 -4.297 -10.877 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.043 -4.869 -10.867 1.00 0.00 C ATOM 1083 C PRO A 77 -1.939 -4.227 -9.815 1.00 0.00 C ATOM 1084 O PRO A 77 -1.470 -3.741 -8.781 1.00 0.00 O ATOM 1085 CB PRO A 77 -0.809 -6.333 -10.496 1.00 0.00 C ATOM 1086 CG PRO A 77 0.600 -6.419 -10.034 1.00 0.00 C ATOM 1087 CD PRO A 77 1.321 -5.357 -10.780 1.00 0.00 C ATOM 0 HA PRO A 77 -1.544 -4.718 -11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.496 -6.651 -9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.979 -6.985 -11.353 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.672 -6.262 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.023 -7.402 -10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.211 -5.020 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.646 -5.699 -11.762 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.227 -4.269 -10.077 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.248 -3.666 -9.227 1.00 0.00 C ATOM 1097 C ASP A 78 -4.270 -4.289 -7.836 1.00 0.00 C ATOM 1098 O ASP A 78 -4.623 -3.632 -6.854 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.619 -3.801 -9.895 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.745 -3.202 -9.080 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -7.544 -3.950 -8.490 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -6.862 -1.960 -9.020 1.00 0.00 O ATOM 0 H ASP A 78 -3.609 -4.731 -10.902 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.004 -2.611 -9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.589 -3.317 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.828 -4.856 -10.069 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.848 -5.538 -7.752 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.830 -6.260 -6.493 1.00 0.00 C ATOM 1109 C TRP A 79 -2.623 -5.896 -5.631 1.00 0.00 C ATOM 1110 O TRP A 79 -2.549 -6.285 -4.474 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.880 -7.777 -6.729 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.755 -8.351 -7.548 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.808 -8.645 -8.863 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.425 -8.705 -7.114 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.616 -9.172 -9.285 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.748 -9.214 -8.232 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.745 -8.645 -5.897 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.572 -9.651 -8.175 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.565 -9.079 -5.839 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.209 -9.578 -6.973 1.00 0.00 C ATOM 0 H TRP A 79 -3.510 -6.077 -8.549 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.723 -5.958 -5.946 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.890 -8.276 -5.760 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.822 -8.018 -7.221 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.669 -8.487 -9.495 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.410 -9.483 -10.234 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.236 -8.265 -5.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.073 -10.034 -9.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.100 -9.032 -4.902 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.233 -9.913 -6.896 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.673 -5.178 -6.185 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.500 -4.835 -5.436 1.00 0.00 C ATOM 1133 C LEU A 80 -0.796 -3.581 -4.622 1.00 0.00 C ATOM 1134 O LEU A 80 -0.785 -2.453 -5.129 1.00 0.00 O ATOM 1135 CB LEU A 80 0.710 -4.685 -6.367 1.00 0.00 C ATOM 1136 CG LEU A 80 2.070 -4.578 -5.679 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.312 -5.796 -4.824 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.197 -4.474 -6.682 1.00 0.00 C ATOM 0 H LEU A 80 -1.694 -4.826 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.238 -5.632 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.732 -5.540 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.564 -3.796 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 80 2.053 -3.675 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.284 -5.712 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.532 -5.870 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.296 -6.689 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.148 -4.400 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.202 -5.360 -7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.054 -3.587 -7.299 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.125 -3.804 -3.373 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.514 -2.747 -2.472 1.00 0.00 C ATOM 1152 C ALA A 81 -0.350 -2.315 -1.631 1.00 0.00 C ATOM 1153 O ALA A 81 0.655 -3.009 -1.515 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.646 -3.193 -1.558 1.00 0.00 C ATOM 0 H ALA A 81 -1.130 -4.732 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.857 -1.910 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.918 -2.376 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.511 -3.473 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.321 -4.050 -0.969 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.515 -1.166 -1.044 1.00 0.00 N ATOM 1161 CA ALA A 82 0.447 -0.585 -0.151 1.00 0.00 C ATOM 1162 C ALA A 82 -0.279 0.379 0.760 1.00 0.00 C ATOM 1163 O ALA A 82 -1.152 1.126 0.306 1.00 0.00 O ATOM 1164 CB ALA A 82 1.555 0.126 -0.919 1.00 0.00 C ATOM 0 H ALA A 82 -1.346 -0.590 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 82 0.922 -1.370 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.268 0.556 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.067 -0.588 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.124 0.920 -1.528 1.00 0.00 H new ATOM 1170 N GLU A 83 0.021 0.312 2.030 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.537 1.209 3.016 1.00 0.00 C ATOM 1172 C GLU A 83 0.544 1.416 4.059 1.00 0.00 C ATOM 1173 O GLU A 83 1.380 0.534 4.216 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.775 0.582 3.676 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.504 -0.703 4.409 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.694 -1.181 5.190 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -2.844 -0.818 6.380 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.507 -1.946 4.641 1.00 0.00 O ATOM 0 H GLU A 83 0.668 -0.375 2.417 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.846 2.149 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.203 1.301 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.526 0.397 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.211 -1.471 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.662 -0.561 5.086 1.00 0.00 H new ATOM 1185 N PRO A 84 0.643 2.578 4.697 1.00 0.00 N ATOM 1186 CA PRO A 84 1.570 2.753 5.797 1.00 0.00 C ATOM 1187 C PRO A 84 1.181 1.866 6.990 1.00 0.00 C ATOM 1188 O PRO A 84 0.012 1.787 7.365 1.00 0.00 O ATOM 1189 CB PRO A 84 1.527 4.259 6.056 1.00 0.00 C ATOM 1190 CG PRO A 84 0.175 4.655 5.598 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.029 3.841 4.364 1.00 0.00 C ATOM 0 HA PRO A 84 2.592 2.434 5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.676 4.488 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.307 4.783 5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.583 4.439 6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.120 5.723 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.087 3.692 4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.412 4.316 3.488 1.00 0.00 H new ATOM 1199 N TYR A 85 2.180 1.158 7.502 1.00 0.00 N ATOM 1200 CA TYR A 85 2.029 0.112 8.509 1.00 0.00 C ATOM 1201 C TYR A 85 1.233 0.498 9.752 1.00 0.00 C ATOM 1202 O TYR A 85 1.686 1.339 10.546 1.00 0.00 O ATOM 1203 CB TYR A 85 3.385 -0.586 8.784 1.00 0.00 C ATOM 1204 CG TYR A 85 4.270 -0.137 9.924 1.00 0.00 C ATOM 1205 CD1 TYR A 85 4.856 1.116 9.957 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.562 -1.016 10.953 1.00 0.00 C ATOM 1207 CE1 TYR A 85 5.702 1.479 10.987 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.394 -0.660 11.986 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.962 0.587 12.000 1.00 0.00 C ATOM 1210 OH TYR A 85 6.817 0.932 13.021 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.151 -0.101 9.972 1.00 0.00 O ATOM 0 H TYR A 85 3.150 1.300 7.219 1.00 0.00 H new ATOM 0 HA TYR A 85 1.369 -0.638 8.072 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.175 -1.644 8.940 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.975 -0.509 7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.649 1.821 9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.126 -2.004 10.943 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.157 2.459 10.996 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.600 -1.359 12.783 1.00 0.00 H new ATOM 0 HH TYR A 85 6.888 0.187 13.654 1.00 0.00 H new TER 1221 TYR A 85