USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 824 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 55 TYR OH : rot 67:sc= 1.49 USER MOD Set 1.2: A 80 TYR OH : rot -143:sc= 0.443 USER MOD Set 2.1: A 26 THR OG1 : rot -39:sc= 1.32 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.959 K(o=2.3,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 175:sc= -0.329 (180deg=-0.356) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.679 K(o=-0.68,f=-3.8!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.00385 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -131:sc= -0.0072 (180deg=-0.465) USER MOD Single : A 28 THR OG1 : rot 30:sc= 0.814 USER MOD Single : A 29 CYS SG : rot 21:sc= -0.0408 USER MOD Single : A 34 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0.965 (180deg=0.914) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.89 (180deg=1.76) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.453 USER MOD Single : A 54 HIS : no HD1:sc= -0.0151 K(o=-0.015,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0485 X(o=-0.048,f=-0.27) USER MOD Single : A 64 THR OG1 : rot 34:sc= 0.0137 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0875 USER MOD Single : A 66 SER OG : rot 33:sc= 0.0157 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= -0.0908 USER MOD Single : A 73 THR OG1 : rot -57:sc= 0.868 USER MOD Single : A 79 ASN : amide:sc= -0.0372 K(o=-0.037,f=-2.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -117:sc= -0.101 (180deg=-0.17) USER MOD Single : A 86 ASN : amide:sc= -0.482! C(o=-0.48!,f=-9.9!) USER MOD Single : A 88 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.11) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -165:sc= -0.0212 (180deg=-0.325) USER MOD Single : A 100 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.045) USER MOD Single : A 103 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.3!) USER MOD Single : A 104 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.16) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.546 3.883 0.500 1.00 0.00 N ATOM 2 CA GLY A 1 11.912 3.545 1.768 1.00 0.00 C ATOM 3 C GLY A 1 10.523 4.164 1.873 1.00 0.00 C ATOM 4 O GLY A 1 10.383 5.373 2.064 1.00 0.00 O ATOM 0 H1 GLY A 1 13.490 3.448 0.457 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.964 3.526 -0.285 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.637 4.916 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.838 2.462 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.533 3.896 2.593 1.00 0.00 H new ATOM 10 N GLY A 2 9.497 3.329 1.745 1.00 0.00 N ATOM 11 CA GLY A 2 8.118 3.792 1.823 1.00 0.00 C ATOM 12 C GLY A 2 7.703 4.513 0.546 1.00 0.00 C ATOM 13 O GLY A 2 8.266 4.272 -0.524 1.00 0.00 O ATOM 0 H GLY A 2 9.596 2.326 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.456 2.943 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.005 4.462 2.675 1.00 0.00 H new ATOM 17 N SER A 3 6.720 5.397 0.663 1.00 0.00 N ATOM 18 CA SER A 3 6.232 6.157 -0.483 1.00 0.00 C ATOM 19 C SER A 3 6.416 7.654 -0.268 1.00 0.00 C ATOM 20 O SER A 3 6.108 8.460 -1.147 1.00 0.00 O ATOM 21 CB SER A 3 4.772 5.834 -0.739 1.00 0.00 C ATOM 22 OG SER A 3 3.959 6.180 0.347 1.00 0.00 O ATOM 0 H SER A 3 6.244 5.606 1.541 1.00 0.00 H new ATOM 0 HA SER A 3 6.817 5.870 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.434 6.366 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.667 4.769 -0.945 1.00 0.00 H new ATOM 0 HG SER A 3 3.027 5.958 0.142 1.00 0.00 H new ATOM 28 N ASN A 4 6.917 8.023 0.906 1.00 0.00 N ATOM 29 CA ASN A 4 7.126 9.426 1.244 1.00 0.00 C ATOM 30 C ASN A 4 5.841 10.228 1.084 1.00 0.00 C ATOM 31 O ASN A 4 5.846 11.324 0.528 1.00 0.00 O ATOM 32 CB ASN A 4 8.234 10.038 0.409 1.00 0.00 C ATOM 33 CG ASN A 4 8.779 11.321 0.972 1.00 0.00 C ATOM 34 OD1 ASN A 4 8.757 11.548 2.188 1.00 0.00 O ATOM 35 ND2 ASN A 4 9.192 12.196 0.089 1.00 0.00 N ATOM 0 H ASN A 4 7.186 7.369 1.641 1.00 0.00 H new ATOM 0 HA ASN A 4 7.428 9.464 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.047 9.318 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.858 10.224 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.515 13.114 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.190 11.959 -0.903 1.00 0.00 H new ATOM 42 N ALA A 5 4.739 9.673 1.583 1.00 0.00 N ATOM 43 CA ALA A 5 3.439 10.326 1.475 1.00 0.00 C ATOM 44 C ALA A 5 2.498 9.866 2.582 1.00 0.00 C ATOM 45 O ALA A 5 2.653 8.773 3.125 1.00 0.00 O ATOM 46 CB ALA A 5 2.825 10.061 0.107 1.00 0.00 C ATOM 0 H ALA A 5 4.721 8.774 2.065 1.00 0.00 H new ATOM 0 HA ALA A 5 3.590 11.400 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.855 10.555 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.484 10.451 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.696 8.988 -0.032 1.00 0.00 H new ATOM 52 N THR A 6 1.527 10.710 2.911 1.00 0.00 N ATOM 53 CA THR A 6 0.583 10.409 3.983 1.00 0.00 C ATOM 54 C THR A 6 -0.828 10.840 3.613 1.00 0.00 C ATOM 55 O THR A 6 -1.056 11.986 3.223 1.00 0.00 O ATOM 56 CB THR A 6 0.988 11.095 5.301 1.00 0.00 C ATOM 57 OG1 THR A 6 2.304 10.672 5.678 1.00 0.00 O ATOM 58 CG2 THR A 6 0.008 10.739 6.409 1.00 0.00 C ATOM 0 H THR A 6 1.372 11.608 2.452 1.00 0.00 H new ATOM 0 HA THR A 6 0.604 9.328 4.124 1.00 0.00 H new ATOM 0 HB THR A 6 0.975 12.175 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.561 11.110 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.309 11.232 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.992 11.070 6.130 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.004 9.659 6.558 1.00 0.00 H new ATOM 66 N ALA A 7 -1.775 9.917 3.735 1.00 0.00 N ATOM 67 CA ALA A 7 -3.171 10.208 3.447 1.00 0.00 C ATOM 68 C ALA A 7 -3.732 11.235 4.422 1.00 0.00 C ATOM 69 O ALA A 7 -3.342 11.276 5.588 1.00 0.00 O ATOM 70 CB ALA A 7 -4.000 8.932 3.483 1.00 0.00 C ATOM 0 H ALA A 7 -1.598 8.958 4.033 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.225 10.632 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.042 9.169 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.623 8.232 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.930 8.480 4.472 1.00 0.00 H new ATOM 76 N PRO A 8 -4.650 12.062 3.938 1.00 0.00 N ATOM 77 CA PRO A 8 -5.267 13.094 4.768 1.00 0.00 C ATOM 78 C PRO A 8 -5.869 12.494 6.033 1.00 0.00 C ATOM 79 O PRO A 8 -6.605 11.510 5.976 1.00 0.00 O ATOM 80 CB PRO A 8 -6.334 13.716 3.860 1.00 0.00 C ATOM 81 CG PRO A 8 -5.827 13.485 2.478 1.00 0.00 C ATOM 82 CD PRO A 8 -5.142 12.146 2.522 1.00 0.00 C ATOM 0 HA PRO A 8 -4.552 13.837 5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.306 13.246 4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.459 14.779 4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.643 13.485 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.134 14.271 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.829 11.334 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.322 12.089 1.806 1.00 0.00 H new ATOM 90 N PHE A 9 -5.551 13.092 7.175 1.00 0.00 N ATOM 91 CA PHE A 9 -6.098 12.651 8.451 1.00 0.00 C ATOM 92 C PHE A 9 -6.354 13.832 9.379 1.00 0.00 C ATOM 93 O PHE A 9 -5.438 14.575 9.722 1.00 0.00 O ATOM 94 CB PHE A 9 -5.152 11.651 9.118 1.00 0.00 C ATOM 95 CG PHE A 9 -5.603 11.208 10.481 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.581 10.234 10.621 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.052 11.764 11.625 1.00 0.00 C ATOM 98 CE1 PHE A 9 -6.996 9.824 11.873 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.466 11.357 12.879 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.440 10.386 13.003 1.00 0.00 C ATOM 0 H PHE A 9 -4.915 13.886 7.243 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.052 12.161 8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.052 10.776 8.476 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.162 12.100 9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.023 9.791 9.741 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.290 12.524 11.535 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.756 9.063 11.967 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.028 11.798 13.762 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.765 10.068 13.982 1.00 0.00 H new ATOM 110 N PHE A 10 -7.612 13.999 9.780 1.00 0.00 N ATOM 111 CA PHE A 10 -7.994 15.099 10.659 1.00 0.00 C ATOM 112 C PHE A 10 -7.414 14.916 12.056 1.00 0.00 C ATOM 113 O PHE A 10 -8.084 14.404 12.951 1.00 0.00 O ATOM 114 CB PHE A 10 -9.517 15.219 10.735 1.00 0.00 C ATOM 115 CG PHE A 10 -10.155 15.654 9.447 1.00 0.00 C ATOM 116 CD1 PHE A 10 -10.045 16.965 9.008 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.868 14.752 8.670 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.632 17.367 7.824 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.455 15.151 7.484 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.338 16.458 7.061 1.00 0.00 C ATOM 0 H PHE A 10 -8.382 13.387 9.510 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.586 16.018 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.934 14.256 11.029 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.778 15.932 11.518 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.493 17.681 9.599 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.965 13.727 8.996 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.539 18.392 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.006 14.438 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.798 16.770 6.135 1.00 0.00 H new ATOM 130 N GLU A 11 -6.166 15.335 12.231 1.00 0.00 N ATOM 131 CA GLU A 11 -5.518 15.283 13.535 1.00 0.00 C ATOM 132 C GLU A 11 -6.207 16.209 14.530 1.00 0.00 C ATOM 133 O GLU A 11 -6.072 16.047 15.742 1.00 0.00 O ATOM 134 CB GLU A 11 -4.038 15.652 13.412 1.00 0.00 C ATOM 135 CG GLU A 11 -3.780 17.112 13.069 1.00 0.00 C ATOM 136 CD GLU A 11 -2.307 17.404 12.999 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.630 17.188 13.976 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.837 17.736 11.936 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.583 15.715 11.485 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.599 14.262 13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.539 15.419 14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.582 15.025 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.246 17.351 12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.245 17.752 13.819 1.00 0.00 H new ATOM 145 N MET A 12 -6.944 17.184 14.010 1.00 0.00 N ATOM 146 CA MET A 12 -7.825 18.005 14.834 1.00 0.00 C ATOM 147 C MET A 12 -9.159 18.244 14.142 1.00 0.00 C ATOM 148 O MET A 12 -9.231 18.951 13.137 1.00 0.00 O ATOM 149 CB MET A 12 -7.154 19.337 15.161 1.00 0.00 C ATOM 150 CG MET A 12 -7.978 20.255 16.055 1.00 0.00 C ATOM 151 SD MET A 12 -7.138 21.809 16.418 1.00 0.00 S ATOM 152 CE MET A 12 -7.365 22.686 14.874 1.00 0.00 C ATOM 0 H MET A 12 -6.949 17.426 13.019 1.00 0.00 H new ATOM 0 HA MET A 12 -8.017 17.467 15.762 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.199 19.139 15.647 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.936 19.858 14.229 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.932 20.466 15.571 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.202 19.741 16.990 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.977 23.700 14.971 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.829 22.167 14.079 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.427 22.725 14.631 1.00 0.00 H new ATOM 162 N LYS A 13 -10.219 17.654 14.690 1.00 0.00 N ATOM 163 CA LYS A 13 -11.523 17.663 14.037 1.00 0.00 C ATOM 164 C LYS A 13 -12.392 18.801 14.558 1.00 0.00 C ATOM 165 O LYS A 13 -12.091 19.400 15.592 1.00 0.00 O ATOM 166 CB LYS A 13 -12.233 16.323 14.240 1.00 0.00 C ATOM 167 CG LYS A 13 -11.545 15.140 13.572 1.00 0.00 C ATOM 168 CD LYS A 13 -12.306 13.846 13.821 1.00 0.00 C ATOM 169 CE LYS A 13 -11.641 12.669 13.122 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.380 11.397 13.349 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.199 17.164 15.584 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.361 17.819 12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.312 16.126 15.309 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.249 16.402 13.854 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.469 15.319 12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.528 15.045 13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.358 13.653 14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.331 13.951 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.582 12.869 12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.618 12.564 13.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.894 10.621 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.414 11.193 14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.349 11.488 12.981 1.00 0.00 H new ATOM 184 N LEU A 14 -13.466 19.098 13.834 1.00 0.00 N ATOM 185 CA LEU A 14 -14.420 20.112 14.263 1.00 0.00 C ATOM 186 C LEU A 14 -15.371 19.565 15.318 1.00 0.00 C ATOM 187 O LEU A 14 -15.569 18.353 15.424 1.00 0.00 O ATOM 188 CB LEU A 14 -15.209 20.642 13.058 1.00 0.00 C ATOM 189 CG LEU A 14 -14.377 21.400 12.016 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.218 21.674 10.777 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.866 22.699 12.620 1.00 0.00 C ATOM 0 H LEU A 14 -13.697 18.650 12.947 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.860 20.933 14.710 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.699 19.802 12.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.996 21.302 13.421 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.522 20.792 11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.619 22.213 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.554 20.729 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.084 22.276 11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.275 23.237 11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.711 23.315 12.927 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.245 22.477 13.488 1.00 0.00 H new ATOM 203 N LYS A 15 -15.961 20.462 16.099 1.00 0.00 N ATOM 204 CA LYS A 15 -16.916 20.075 17.130 1.00 0.00 C ATOM 205 C LYS A 15 -18.314 20.584 16.806 1.00 0.00 C ATOM 206 O LYS A 15 -18.511 21.301 15.825 1.00 0.00 O ATOM 207 CB LYS A 15 -16.469 20.596 18.496 1.00 0.00 C ATOM 208 CG LYS A 15 -15.123 20.062 18.965 1.00 0.00 C ATOM 209 CD LYS A 15 -14.754 20.613 20.335 1.00 0.00 C ATOM 210 CE LYS A 15 -13.428 20.048 20.821 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.053 20.580 22.158 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.794 21.466 16.037 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.950 18.986 17.161 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.421 21.684 18.458 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.226 20.336 19.236 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.156 18.973 19.006 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.352 20.331 18.243 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.692 21.700 20.287 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.539 20.369 21.051 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.493 18.961 20.868 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.645 20.290 20.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.144 20.170 22.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.966 21.615 22.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.787 20.327 22.850 1.00 0.00 H new ATOM 225 N HIS A 16 -19.283 20.210 17.638 1.00 0.00 N ATOM 226 CA HIS A 16 -20.634 20.742 17.528 1.00 0.00 C ATOM 227 C HIS A 16 -20.722 22.142 18.116 1.00 0.00 C ATOM 228 O HIS A 16 -20.694 22.320 19.333 1.00 0.00 O ATOM 229 CB HIS A 16 -21.638 19.818 18.225 1.00 0.00 C ATOM 230 CG HIS A 16 -23.065 20.225 18.029 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.120 19.520 18.571 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.613 21.262 17.352 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.256 20.108 18.235 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.975 21.165 17.496 1.00 0.00 N ATOM 0 H HIS A 16 -19.155 19.540 18.396 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.882 20.797 16.468 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.504 18.803 17.852 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.419 19.797 19.292 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.037 18.678 19.141 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.079 22.023 16.802 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.245 19.779 18.517 1.00 0.00 H new ATOM 242 N TYR A 17 -20.830 23.139 17.242 1.00 0.00 N ATOM 243 CA TYR A 17 -20.772 24.534 17.662 1.00 0.00 C ATOM 244 C TYR A 17 -22.169 25.120 17.824 1.00 0.00 C ATOM 245 O TYR A 17 -23.076 24.811 17.051 1.00 0.00 O ATOM 246 CB TYR A 17 -19.969 25.363 16.657 1.00 0.00 C ATOM 247 CG TYR A 17 -18.552 24.874 16.453 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.588 25.059 17.434 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.180 24.232 15.281 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.293 24.616 17.254 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.888 23.783 15.090 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.946 23.978 16.080 1.00 0.00 C ATOM 253 OH TYR A 17 -14.656 23.535 15.896 1.00 0.00 O ATOM 0 H TYR A 17 -20.958 23.006 16.239 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.273 24.569 18.630 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.487 25.355 15.698 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.940 26.399 16.996 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.855 25.558 18.354 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.914 24.080 14.504 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.555 24.768 18.028 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.616 23.283 14.172 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.263 23.302 16.763 1.00 0.00 H new ATOM 263 N LYS A 18 -22.338 25.968 18.832 1.00 0.00 N ATOM 264 CA LYS A 18 -23.613 26.626 19.073 1.00 0.00 C ATOM 265 C LYS A 18 -23.419 28.103 19.404 1.00 0.00 C ATOM 266 O LYS A 18 -22.765 28.447 20.388 1.00 0.00 O ATOM 267 CB LYS A 18 -24.368 25.926 20.206 1.00 0.00 C ATOM 268 CG LYS A 18 -24.790 24.497 19.891 1.00 0.00 C ATOM 269 CD LYS A 18 -25.549 23.875 21.054 1.00 0.00 C ATOM 270 CE LYS A 18 -25.953 22.441 20.748 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.700 21.821 21.876 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.605 26.215 19.496 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.203 26.559 18.159 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.738 25.918 21.096 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.256 26.509 20.449 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.417 24.489 18.999 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.909 23.896 19.667 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.928 23.897 21.949 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.438 24.467 21.269 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.570 22.422 19.850 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.062 21.851 20.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.957 20.844 21.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.102 21.816 22.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.564 22.369 22.063 1.00 0.00 H new ATOM 285 N ILE A 19 -23.993 28.969 18.576 1.00 0.00 N ATOM 286 CA ILE A 19 -23.929 30.408 18.808 1.00 0.00 C ATOM 287 C ILE A 19 -25.274 31.068 18.544 1.00 0.00 C ATOM 288 O ILE A 19 -26.239 30.405 18.160 1.00 0.00 O ATOM 289 CB ILE A 19 -22.859 31.076 17.927 1.00 0.00 C ATOM 290 CG1 ILE A 19 -23.080 30.719 16.455 1.00 0.00 C ATOM 291 CG2 ILE A 19 -21.466 30.662 18.375 1.00 0.00 C ATOM 292 CD1 ILE A 19 -24.003 31.669 15.727 1.00 0.00 C ATOM 0 H ILE A 19 -24.508 28.700 17.738 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.660 30.545 19.855 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.947 32.157 18.036 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.116 30.703 15.946 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.490 29.711 16.393 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -20.722 31.144 17.741 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -21.312 30.965 19.410 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -21.365 29.580 18.295 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -24.110 31.350 14.690 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -24.980 31.668 16.209 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -23.585 32.675 15.756 1.00 0.00 H new ATOM 304 N PHE A 20 -25.335 32.379 18.754 1.00 0.00 N ATOM 305 CA PHE A 20 -26.576 33.125 18.584 1.00 0.00 C ATOM 306 C PHE A 20 -26.584 33.889 17.268 1.00 0.00 C ATOM 307 O PHE A 20 -25.544 34.366 16.810 1.00 0.00 O ATOM 308 CB PHE A 20 -26.786 34.088 19.753 1.00 0.00 C ATOM 309 CG PHE A 20 -27.078 33.403 21.058 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.376 33.056 21.401 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.055 33.104 21.945 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.646 32.427 22.601 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.322 32.473 23.145 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.617 32.135 23.474 1.00 0.00 C ATOM 0 H PHE A 20 -24.538 32.947 19.042 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.396 32.407 18.565 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.894 34.704 19.868 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.610 34.761 19.514 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.185 33.280 20.722 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.038 33.367 21.695 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.662 32.164 22.856 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.515 32.244 23.826 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.826 31.643 24.412 1.00 0.00 H new ATOM 324 N GLU A 21 -27.762 34.005 16.663 1.00 0.00 N ATOM 325 CA GLU A 21 -27.894 34.647 15.359 1.00 0.00 C ATOM 326 C GLU A 21 -27.302 36.052 15.376 1.00 0.00 C ATOM 327 O GLU A 21 -27.674 36.885 16.203 1.00 0.00 O ATOM 328 CB GLU A 21 -29.364 34.700 14.934 1.00 0.00 C ATOM 329 CG GLU A 21 -30.202 35.718 15.695 1.00 0.00 C ATOM 330 CD GLU A 21 -31.544 35.914 15.048 1.00 0.00 C ATOM 331 OE1 GLU A 21 -31.581 36.309 13.908 1.00 0.00 O ATOM 332 OE2 GLU A 21 -32.530 35.561 15.653 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.639 33.663 17.055 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.338 34.051 14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -29.414 34.929 13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.804 33.712 15.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -30.337 35.384 16.724 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.673 36.670 15.736 1.00 0.00 H new ATOM 339 N GLY A 22 -26.376 36.307 14.458 1.00 0.00 N ATOM 340 CA GLY A 22 -25.825 37.645 14.276 1.00 0.00 C ATOM 341 C GLY A 22 -24.456 37.771 14.934 1.00 0.00 C ATOM 342 O GLY A 22 -23.727 38.733 14.693 1.00 0.00 O ATOM 0 H GLY A 22 -25.991 35.604 13.828 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.742 37.865 13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.505 38.382 14.702 1.00 0.00 H new ATOM 346 N MET A 23 -24.111 36.791 15.763 1.00 0.00 N ATOM 347 CA MET A 23 -22.846 36.808 16.483 1.00 0.00 C ATOM 348 C MET A 23 -21.731 36.182 15.659 1.00 0.00 C ATOM 349 O MET A 23 -21.972 35.297 14.840 1.00 0.00 O ATOM 350 CB MET A 23 -22.988 36.077 17.817 1.00 0.00 C ATOM 351 CG MET A 23 -24.032 36.672 18.753 1.00 0.00 C ATOM 352 SD MET A 23 -23.646 38.366 19.237 1.00 0.00 S ATOM 353 CE MET A 23 -22.234 38.099 20.306 1.00 0.00 C ATOM 0 H MET A 23 -24.692 35.974 15.952 1.00 0.00 H new ATOM 0 HA MET A 23 -22.582 37.849 16.671 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.245 35.036 17.621 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.022 36.078 18.322 1.00 0.00 H new ATOM 0 HG2 MET A 23 -25.006 36.651 18.265 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.109 36.052 19.646 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.377 38.643 21.240 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.134 37.034 20.517 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.331 38.457 19.812 1.00 0.00 H new ATOM 363 N PRO A 24 -20.506 36.651 15.877 1.00 0.00 N ATOM 364 CA PRO A 24 -19.333 36.050 15.250 1.00 0.00 C ATOM 365 C PRO A 24 -19.023 34.685 15.852 1.00 0.00 C ATOM 366 O PRO A 24 -19.368 34.411 17.002 1.00 0.00 O ATOM 367 CB PRO A 24 -18.213 37.062 15.510 1.00 0.00 C ATOM 368 CG PRO A 24 -18.592 37.718 16.793 1.00 0.00 C ATOM 369 CD PRO A 24 -20.096 37.790 16.773 1.00 0.00 C ATOM 0 HA PRO A 24 -19.473 35.861 14.186 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.244 36.570 15.587 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.138 37.788 14.700 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.237 37.143 17.649 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.152 38.712 16.872 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.514 37.680 17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.444 38.747 16.385 1.00 0.00 H new ATOM 377 N VAL A 25 -18.366 33.835 15.072 1.00 0.00 N ATOM 378 CA VAL A 25 -17.937 32.528 15.551 1.00 0.00 C ATOM 379 C VAL A 25 -16.694 32.050 14.807 1.00 0.00 C ATOM 380 O VAL A 25 -16.652 32.067 13.577 1.00 0.00 O ATOM 381 CB VAL A 25 -19.054 31.478 15.397 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.457 31.340 13.936 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.601 30.136 15.952 1.00 0.00 C ATOM 0 H VAL A 25 -18.118 34.029 14.102 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.701 32.641 16.609 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.923 31.812 15.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.247 30.594 13.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.819 32.299 13.566 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.594 31.027 13.348 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.401 29.405 15.836 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.718 29.797 15.409 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -18.358 30.243 17.009 1.00 0.00 H new ATOM 393 N THR A 26 -15.687 31.623 15.561 1.00 0.00 N ATOM 394 CA THR A 26 -14.444 31.136 14.976 1.00 0.00 C ATOM 395 C THR A 26 -14.272 29.641 15.211 1.00 0.00 C ATOM 396 O THR A 26 -14.405 29.161 16.336 1.00 0.00 O ATOM 397 CB THR A 26 -13.222 31.879 15.548 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.349 33.283 15.290 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.939 31.364 14.911 1.00 0.00 C ATOM 0 H THR A 26 -15.708 31.604 16.581 1.00 0.00 H new ATOM 0 HA THR A 26 -14.506 31.327 13.905 1.00 0.00 H new ATOM 0 HB THR A 26 -13.179 31.703 16.623 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.733 33.418 14.398 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.086 31.900 15.327 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.833 30.299 15.116 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.978 31.524 13.834 1.00 0.00 H new ATOM 407 N PHE A 27 -13.975 28.911 14.143 1.00 0.00 N ATOM 408 CA PHE A 27 -13.717 27.479 14.241 1.00 0.00 C ATOM 409 C PHE A 27 -12.711 27.026 13.190 1.00 0.00 C ATOM 410 O PHE A 27 -12.624 27.613 12.109 1.00 0.00 O ATOM 411 CB PHE A 27 -15.021 26.691 14.095 1.00 0.00 C ATOM 412 CG PHE A 27 -15.804 27.037 12.860 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.696 28.097 12.861 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.646 26.302 11.693 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.417 28.416 11.726 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.365 26.620 10.556 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.250 27.676 10.573 1.00 0.00 C ATOM 0 H PHE A 27 -13.907 29.287 13.197 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.291 27.283 15.225 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.791 25.626 14.081 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.644 26.872 14.971 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.830 28.681 13.760 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.954 25.473 11.673 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.111 29.244 11.741 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.233 26.041 9.654 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.812 27.924 9.685 1.00 0.00 H new ATOM 427 N THR A 28 -11.952 25.986 13.512 1.00 0.00 N ATOM 428 CA THR A 28 -10.766 25.634 12.740 1.00 0.00 C ATOM 429 C THR A 28 -10.494 24.133 12.803 1.00 0.00 C ATOM 430 O THR A 28 -10.909 23.456 13.746 1.00 0.00 O ATOM 431 CB THR A 28 -9.523 26.393 13.238 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.402 26.082 12.400 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.201 26.006 14.674 1.00 0.00 C ATOM 0 H THR A 28 -12.137 25.370 14.304 1.00 0.00 H new ATOM 0 HA THR A 28 -10.965 25.921 11.708 1.00 0.00 H new ATOM 0 HB THR A 28 -9.729 27.463 13.198 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.717 25.881 11.494 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.319 26.552 15.009 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.047 26.253 15.316 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.006 24.935 14.727 1.00 0.00 H new ATOM 441 N CYS A 29 -9.792 23.622 11.795 1.00 0.00 N ATOM 442 CA CYS A 29 -9.485 22.199 11.723 1.00 0.00 C ATOM 443 C CYS A 29 -8.109 21.963 11.117 1.00 0.00 C ATOM 444 O CYS A 29 -7.665 22.720 10.250 1.00 0.00 O ATOM 445 CB CYS A 29 -10.579 21.664 10.799 1.00 0.00 C ATOM 446 SG CYS A 29 -10.633 19.861 10.667 1.00 0.00 S ATOM 0 H CYS A 29 -9.426 24.173 11.018 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.462 21.716 12.700 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.545 22.019 11.157 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.434 22.084 9.804 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.044 19.333 11.698 1.00 0.00 H new ATOM 452 N ARG A 30 -7.436 20.913 11.573 1.00 0.00 N ATOM 453 CA ARG A 30 -6.055 20.657 11.180 1.00 0.00 C ATOM 454 C ARG A 30 -5.890 19.235 10.653 1.00 0.00 C ATOM 455 O ARG A 30 -6.440 18.286 11.213 1.00 0.00 O ATOM 456 CB ARG A 30 -5.075 20.953 12.304 1.00 0.00 C ATOM 457 CG ARG A 30 -3.613 20.720 11.955 1.00 0.00 C ATOM 458 CD ARG A 30 -2.658 21.129 13.016 1.00 0.00 C ATOM 459 NE ARG A 30 -1.261 20.873 12.701 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.220 21.277 13.454 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.409 21.989 14.544 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 1.000 20.961 13.056 1.00 0.00 N ATOM 0 H ARG A 30 -7.825 20.224 12.216 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.817 21.345 10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.199 21.991 12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.332 20.333 13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.467 19.661 11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.378 21.266 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.784 22.194 13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.912 20.605 13.937 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.055 20.350 11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.355 22.243 14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.390 22.287 15.103 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.134 20.425 12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.808 21.253 13.606 1.00 0.00 H new ATOM 476 N VAL A 31 -5.130 19.094 9.573 1.00 0.00 N ATOM 477 CA VAL A 31 -5.005 17.817 8.884 1.00 0.00 C ATOM 478 C VAL A 31 -3.544 17.399 8.757 1.00 0.00 C ATOM 479 O VAL A 31 -2.717 18.156 8.251 1.00 0.00 O ATOM 480 CB VAL A 31 -5.639 17.869 7.481 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.522 16.517 6.793 1.00 0.00 C ATOM 482 CG2 VAL A 31 -7.096 18.296 7.569 1.00 0.00 C ATOM 0 H VAL A 31 -4.590 19.852 9.155 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.538 17.081 9.486 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.099 18.607 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.975 16.572 5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.470 16.248 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.037 15.761 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.527 18.327 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.648 17.582 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.158 19.286 8.022 1.00 0.00 H new ATOM 492 N ALA A 32 -3.236 16.192 9.222 1.00 0.00 N ATOM 493 CA ALA A 32 -1.889 15.650 9.108 1.00 0.00 C ATOM 494 C ALA A 32 -1.702 14.914 7.787 1.00 0.00 C ATOM 495 O ALA A 32 -1.507 13.698 7.767 1.00 0.00 O ATOM 496 CB ALA A 32 -1.589 14.728 10.280 1.00 0.00 C ATOM 0 H ALA A 32 -3.903 15.571 9.681 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.186 16.483 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.579 14.331 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.669 15.287 11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.304 13.905 10.288 1.00 0.00 H new ATOM 502 N GLY A 33 -1.766 15.656 6.688 1.00 0.00 N ATOM 503 CA GLY A 33 -1.658 15.067 5.357 1.00 0.00 C ATOM 504 C GLY A 33 -0.314 15.391 4.719 1.00 0.00 C ATOM 505 O GLY A 33 0.386 16.306 5.150 1.00 0.00 O ATOM 0 H GLY A 33 -1.892 16.668 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.781 13.986 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.463 15.441 4.725 1.00 0.00 H new ATOM 509 N ASN A 34 0.044 14.631 3.682 1.00 0.00 N ATOM 510 CA ASN A 34 1.296 14.853 2.964 1.00 0.00 C ATOM 511 C ASN A 34 1.206 14.332 1.548 1.00 0.00 C ATOM 512 O ASN A 34 1.215 13.121 1.310 1.00 0.00 O ATOM 513 CB ASN A 34 2.462 14.165 3.730 1.00 0.00 C ATOM 514 CG ASN A 34 3.885 14.489 3.262 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.125 14.881 2.130 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.877 14.316 4.094 1.00 0.00 N ATOM 0 H ASN A 34 -0.516 13.858 3.323 1.00 0.00 H new ATOM 0 HA ASN A 34 1.487 15.925 2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.382 14.434 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.321 13.086 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.833 14.508 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.696 13.989 5.043 1.00 0.00 H new ATOM 523 N PRO A 35 1.145 15.251 0.591 1.00 0.00 N ATOM 524 CA PRO A 35 1.369 16.663 0.876 1.00 0.00 C ATOM 525 C PRO A 35 0.173 17.278 1.588 1.00 0.00 C ATOM 526 O PRO A 35 -0.920 16.712 1.592 1.00 0.00 O ATOM 527 CB PRO A 35 1.599 17.290 -0.503 1.00 0.00 C ATOM 528 CG PRO A 35 1.918 16.132 -1.390 1.00 0.00 C ATOM 529 CD PRO A 35 1.125 14.977 -0.836 1.00 0.00 C ATOM 0 HA PRO A 35 2.212 16.829 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.714 17.824 -0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.417 18.010 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.641 16.340 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.986 15.915 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.110 14.952 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.583 14.017 -1.073 1.00 0.00 H new ATOM 537 N LYS A 36 0.388 18.444 2.198 1.00 0.00 N ATOM 538 CA LYS A 36 -0.678 19.144 2.902 1.00 0.00 C ATOM 539 C LYS A 36 -1.881 19.362 1.994 1.00 0.00 C ATOM 540 O LYS A 36 -1.791 20.058 0.981 1.00 0.00 O ATOM 541 CB LYS A 36 -0.175 20.483 3.443 1.00 0.00 C ATOM 542 CG LYS A 36 1.014 20.373 4.388 1.00 0.00 C ATOM 543 CD LYS A 36 0.594 19.828 5.745 1.00 0.00 C ATOM 544 CE LYS A 36 1.801 19.538 6.623 1.00 0.00 C ATOM 545 NZ LYS A 36 1.418 19.340 8.047 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.290 18.920 2.217 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.991 18.522 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.102 21.120 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.993 20.981 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.770 19.721 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.473 21.354 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.056 20.548 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.013 18.916 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.310 18.646 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.510 20.363 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.245 19.013 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.080 20.240 8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.661 18.629 8.107 1.00 0.00 H new ATOM 559 N PRO A 37 -3.011 18.768 2.364 1.00 0.00 N ATOM 560 CA PRO A 37 -4.225 18.864 1.562 1.00 0.00 C ATOM 561 C PRO A 37 -4.649 20.314 1.375 1.00 0.00 C ATOM 562 O PRO A 37 -4.428 21.153 2.248 1.00 0.00 O ATOM 563 CB PRO A 37 -5.258 18.055 2.349 1.00 0.00 C ATOM 564 CG PRO A 37 -4.447 17.099 3.155 1.00 0.00 C ATOM 565 CD PRO A 37 -3.195 17.849 3.524 1.00 0.00 C ATOM 0 HA PRO A 37 -4.095 18.479 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.864 18.698 2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.943 17.531 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.989 16.777 4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.213 16.202 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.311 18.396 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.344 17.180 3.650 1.00 0.00 H new ATOM 573 N LYS A 38 -5.263 20.605 0.231 1.00 0.00 N ATOM 574 CA LYS A 38 -5.783 21.939 -0.042 1.00 0.00 C ATOM 575 C LYS A 38 -7.127 22.157 0.641 1.00 0.00 C ATOM 576 O LYS A 38 -8.165 22.234 -0.017 1.00 0.00 O ATOM 577 CB LYS A 38 -5.916 22.165 -1.548 1.00 0.00 C ATOM 578 CG LYS A 38 -4.592 22.185 -2.300 1.00 0.00 C ATOM 579 CD LYS A 38 -4.799 22.496 -3.775 1.00 0.00 C ATOM 580 CE LYS A 38 -3.476 22.514 -4.528 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.666 22.788 -5.978 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.412 19.933 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.074 22.661 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.546 21.380 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.430 23.111 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.931 22.931 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.097 21.219 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.461 21.751 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.292 23.462 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.824 23.274 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.974 21.555 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.742 22.792 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.268 22.049 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.122 23.715 -6.099 1.00 0.00 H new ATOM 595 N ILE A 39 -7.102 22.253 1.968 1.00 0.00 N ATOM 596 CA ILE A 39 -8.326 22.253 2.761 1.00 0.00 C ATOM 597 C ILE A 39 -9.403 23.109 2.110 1.00 0.00 C ATOM 598 O ILE A 39 -9.229 24.317 1.936 1.00 0.00 O ATOM 599 CB ILE A 39 -8.073 22.762 4.191 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.207 21.766 4.968 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.390 23.003 4.911 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.734 22.283 6.307 1.00 0.00 C ATOM 0 H ILE A 39 -6.246 22.332 2.516 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.669 21.219 2.810 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.537 23.709 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.775 20.849 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.339 21.504 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.192 23.363 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.971 23.748 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.953 22.071 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.127 21.522 6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.137 23.183 6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.596 22.517 6.932 1.00 0.00 H new ATOM 614 N TYR A 40 -10.518 22.482 1.753 1.00 0.00 N ATOM 615 CA TYR A 40 -11.660 23.200 1.200 1.00 0.00 C ATOM 616 C TYR A 40 -12.803 23.281 2.203 1.00 0.00 C ATOM 617 O TYR A 40 -12.973 22.388 3.034 1.00 0.00 O ATOM 618 CB TYR A 40 -12.140 22.527 -0.088 1.00 0.00 C ATOM 619 CG TYR A 40 -11.127 22.558 -1.211 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.810 23.747 -1.851 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.490 21.398 -1.629 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.887 23.782 -2.877 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.564 21.421 -2.653 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.265 22.616 -3.275 1.00 0.00 C ATOM 625 OH TYR A 40 -8.343 22.645 -4.297 1.00 0.00 O ATOM 0 H TYR A 40 -10.655 21.475 1.837 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.335 24.216 0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.395 21.490 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.054 23.017 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.294 24.662 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.723 20.461 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.653 24.716 -3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.077 20.509 -2.965 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.998 21.741 -4.452 1.00 0.00 H new ATOM 635 N TRP A 41 -13.581 24.352 2.120 1.00 0.00 N ATOM 636 CA TRP A 41 -14.750 24.517 2.980 1.00 0.00 C ATOM 637 C TRP A 41 -16.017 24.694 2.157 1.00 0.00 C ATOM 638 O TRP A 41 -16.020 25.378 1.134 1.00 0.00 O ATOM 639 CB TRP A 41 -14.560 25.715 3.912 1.00 0.00 C ATOM 640 CG TRP A 41 -13.489 25.510 4.939 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.151 25.708 4.772 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.664 25.069 6.291 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.481 25.416 5.934 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.390 25.023 6.883 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.779 24.710 7.059 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.194 24.632 8.199 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.584 24.319 8.379 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.329 24.282 8.932 1.00 0.00 C ATOM 0 H TRP A 41 -13.426 25.120 1.467 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.855 23.612 3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.317 26.594 3.315 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.502 25.924 4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.685 26.046 3.858 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.472 25.481 6.070 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.771 24.736 6.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.207 24.600 8.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.436 24.039 8.980 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.216 23.974 9.961 1.00 0.00 H new ATOM 659 N PHE A 42 -17.101 24.071 2.611 1.00 0.00 N ATOM 660 CA PHE A 42 -18.415 24.288 2.016 1.00 0.00 C ATOM 661 C PHE A 42 -19.526 24.048 3.030 1.00 0.00 C ATOM 662 O PHE A 42 -19.405 23.193 3.907 1.00 0.00 O ATOM 663 CB PHE A 42 -18.606 23.379 0.800 1.00 0.00 C ATOM 664 CG PHE A 42 -18.409 21.920 1.098 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.142 21.358 1.084 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.493 21.105 1.393 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.959 20.017 1.356 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.313 19.762 1.667 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.046 19.218 1.648 1.00 0.00 C ATOM 0 H PHE A 42 -17.095 23.412 3.389 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.469 25.328 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.610 23.527 0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.906 23.679 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.287 21.977 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.488 21.525 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.966 19.593 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.165 19.139 1.896 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.904 18.169 1.861 1.00 0.00 H new ATOM 679 N LYS A 43 -20.607 24.809 2.906 1.00 0.00 N ATOM 680 CA LYS A 43 -21.694 24.762 3.878 1.00 0.00 C ATOM 681 C LYS A 43 -22.941 24.122 3.281 1.00 0.00 C ATOM 682 O LYS A 43 -23.594 24.701 2.413 1.00 0.00 O ATOM 683 CB LYS A 43 -22.020 26.167 4.388 1.00 0.00 C ATOM 684 CG LYS A 43 -22.983 26.200 5.568 1.00 0.00 C ATOM 685 CD LYS A 43 -24.421 26.364 5.105 1.00 0.00 C ATOM 686 CE LYS A 43 -25.341 26.715 6.266 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.767 26.434 5.950 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.755 25.467 2.141 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.363 24.149 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.092 26.660 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.447 26.747 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.887 25.279 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.717 27.021 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.474 27.146 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.761 25.441 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.046 26.146 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.226 27.770 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.338 26.524 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.105 27.113 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.856 25.468 5.576 1.00 0.00 H new ATOM 701 N ASP A 44 -23.265 22.921 3.750 1.00 0.00 N ATOM 702 CA ASP A 44 -24.391 22.168 3.211 1.00 0.00 C ATOM 703 C ASP A 44 -24.276 22.008 1.702 1.00 0.00 C ATOM 704 O ASP A 44 -25.282 21.986 0.992 1.00 0.00 O ATOM 705 CB ASP A 44 -25.715 22.851 3.566 1.00 0.00 C ATOM 706 CG ASP A 44 -26.079 22.788 5.043 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.430 22.068 5.764 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.894 23.572 5.467 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.763 22.449 4.502 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.372 21.176 3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.664 23.896 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.515 22.389 2.987 1.00 0.00 H new ATOM 713 N GLY A 45 -23.046 21.895 1.214 1.00 0.00 N ATOM 714 CA GLY A 45 -22.799 21.662 -0.202 1.00 0.00 C ATOM 715 C GLY A 45 -22.513 22.967 -0.936 1.00 0.00 C ATOM 716 O GLY A 45 -22.270 22.971 -2.140 1.00 0.00 O ATOM 0 H GLY A 45 -22.201 21.962 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.954 20.984 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.665 21.173 -0.649 1.00 0.00 H new ATOM 720 N LYS A 46 -22.540 24.071 -0.196 1.00 0.00 N ATOM 721 CA LYS A 46 -22.312 25.388 -0.780 1.00 0.00 C ATOM 722 C LYS A 46 -20.854 25.806 -0.642 1.00 0.00 C ATOM 723 O LYS A 46 -20.423 26.261 0.420 1.00 0.00 O ATOM 724 CB LYS A 46 -23.221 26.430 -0.123 1.00 0.00 C ATOM 725 CG LYS A 46 -24.711 26.173 -0.310 1.00 0.00 C ATOM 726 CD LYS A 46 -25.548 27.204 0.430 1.00 0.00 C ATOM 727 CE LYS A 46 -27.035 26.976 0.205 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.861 28.055 0.811 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.717 24.080 0.808 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.551 25.328 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.002 26.464 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.980 27.412 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.956 26.198 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.958 25.175 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.328 27.156 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.277 28.205 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.236 26.923 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.323 26.015 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.868 27.862 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.689 28.090 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.604 28.969 0.386 1.00 0.00 H new ATOM 742 N GLN A 47 -20.094 25.648 -1.722 1.00 0.00 N ATOM 743 CA GLN A 47 -18.672 25.973 -1.711 1.00 0.00 C ATOM 744 C GLN A 47 -18.433 27.386 -1.200 1.00 0.00 C ATOM 745 O GLN A 47 -19.057 28.339 -1.666 1.00 0.00 O ATOM 746 CB GLN A 47 -18.079 25.824 -3.115 1.00 0.00 C ATOM 747 CG GLN A 47 -16.575 26.036 -3.180 1.00 0.00 C ATOM 748 CD GLN A 47 -16.024 25.844 -4.581 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.777 25.637 -5.536 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.703 25.907 -4.709 1.00 0.00 N ATOM 0 H GLN A 47 -20.439 25.297 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.178 25.275 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.311 24.828 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.565 26.538 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.337 27.042 -2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.083 25.340 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.119 26.080 -3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.273 25.782 -5.625 1.00 0.00 H new ATOM 759 N ILE A 48 -17.525 27.513 -0.237 1.00 0.00 N ATOM 760 CA ILE A 48 -17.221 28.808 0.363 1.00 0.00 C ATOM 761 C ILE A 48 -15.883 29.342 -0.136 1.00 0.00 C ATOM 762 O ILE A 48 -14.856 28.674 -0.019 1.00 0.00 O ATOM 763 CB ILE A 48 -17.193 28.728 1.900 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.564 28.313 2.439 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.766 30.063 2.494 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.574 28.022 3.922 1.00 0.00 C ATOM 0 H ILE A 48 -16.987 26.735 0.145 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.017 29.490 0.062 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.465 27.972 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.282 29.106 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.902 27.427 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.751 29.989 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.770 30.319 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.471 30.838 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.579 27.735 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.882 27.208 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -18.268 28.913 4.470 1.00 0.00 H new ATOM 778 N SER A 49 -15.900 30.553 -0.679 1.00 0.00 N ATOM 779 CA SER A 49 -14.674 31.233 -1.074 1.00 0.00 C ATOM 780 C SER A 49 -14.077 32.014 0.090 1.00 0.00 C ATOM 781 O SER A 49 -14.794 32.699 0.821 1.00 0.00 O ATOM 782 CB SER A 49 -14.944 32.155 -2.247 1.00 0.00 C ATOM 783 OG SER A 49 -13.820 32.920 -2.586 1.00 0.00 O ATOM 0 H SER A 49 -16.752 31.085 -0.856 1.00 0.00 H new ATOM 0 HA SER A 49 -13.949 30.478 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.253 31.563 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.773 32.819 -2.002 1.00 0.00 H new ATOM 0 HG SER A 49 -14.036 33.499 -3.347 1.00 0.00 H new ATOM 789 N PRO A 50 -12.764 31.904 0.259 1.00 0.00 N ATOM 790 CA PRO A 50 -12.064 32.630 1.311 1.00 0.00 C ATOM 791 C PRO A 50 -12.339 34.127 1.226 1.00 0.00 C ATOM 792 O PRO A 50 -12.428 34.689 0.133 1.00 0.00 O ATOM 793 CB PRO A 50 -10.588 32.301 1.075 1.00 0.00 C ATOM 794 CG PRO A 50 -10.609 30.991 0.364 1.00 0.00 C ATOM 795 CD PRO A 50 -11.829 31.035 -0.518 1.00 0.00 C ATOM 0 HA PRO A 50 -12.390 32.342 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.100 33.070 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.041 32.234 2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.703 30.849 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.664 30.162 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.605 31.456 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.244 30.041 -0.685 1.00 0.00 H new ATOM 803 N LYS A 51 -12.467 34.769 2.381 1.00 0.00 N ATOM 804 CA LYS A 51 -12.698 36.206 2.437 1.00 0.00 C ATOM 805 C LYS A 51 -13.982 36.587 1.709 1.00 0.00 C ATOM 806 O LYS A 51 -13.966 37.403 0.786 1.00 0.00 O ATOM 807 CB LYS A 51 -11.511 36.964 1.840 1.00 0.00 C ATOM 808 CG LYS A 51 -10.193 36.744 2.570 1.00 0.00 C ATOM 809 CD LYS A 51 -9.065 37.539 1.928 1.00 0.00 C ATOM 810 CE LYS A 51 -7.750 37.328 2.664 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.621 38.034 1.999 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.414 34.315 3.293 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.805 36.485 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.390 36.664 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.739 38.030 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.300 37.038 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.943 35.683 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.953 37.239 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.318 38.599 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.847 37.684 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.531 36.262 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.744 37.865 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.511 37.676 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.818 39.055 1.972 1.00 0.00 H new ATOM 825 N SER A 52 -15.090 35.989 2.127 1.00 0.00 N ATOM 826 CA SER A 52 -16.391 36.291 1.542 1.00 0.00 C ATOM 827 C SER A 52 -17.129 37.350 2.349 1.00 0.00 C ATOM 828 O SER A 52 -16.521 38.083 3.129 1.00 0.00 O ATOM 829 CB SER A 52 -17.224 35.028 1.442 1.00 0.00 C ATOM 830 OG SER A 52 -18.377 35.218 0.669 1.00 0.00 O ATOM 0 H SER A 52 -15.114 35.291 2.870 1.00 0.00 H new ATOM 0 HA SER A 52 -16.227 36.689 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.622 34.231 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.508 34.701 2.442 1.00 0.00 H new ATOM 0 HG SER A 52 -18.885 34.381 0.628 1.00 0.00 H new ATOM 836 N ASP A 53 -18.441 37.427 2.157 1.00 0.00 N ATOM 837 CA ASP A 53 -19.260 38.418 2.843 1.00 0.00 C ATOM 838 C ASP A 53 -19.079 38.333 4.354 1.00 0.00 C ATOM 839 O ASP A 53 -18.911 39.348 5.028 1.00 0.00 O ATOM 840 CB ASP A 53 -20.736 38.237 2.478 1.00 0.00 C ATOM 841 CG ASP A 53 -21.092 38.668 1.061 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.281 39.309 0.436 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.097 38.224 0.562 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.961 36.813 1.530 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.933 39.405 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.002 37.187 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.344 38.806 3.181 1.00 0.00 H new ATOM 848 N HIS A 54 -19.115 37.114 4.881 1.00 0.00 N ATOM 849 CA HIS A 54 -18.913 36.886 6.305 1.00 0.00 C ATOM 850 C HIS A 54 -18.000 35.695 6.552 1.00 0.00 C ATOM 851 O HIS A 54 -17.620 35.417 7.689 1.00 0.00 O ATOM 852 CB HIS A 54 -20.253 36.672 7.013 1.00 0.00 C ATOM 853 CG HIS A 54 -21.165 37.858 6.947 1.00 0.00 C ATOM 854 ND1 HIS A 54 -20.949 39.005 7.683 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.295 38.076 6.234 1.00 0.00 C ATOM 856 CE1 HIS A 54 -21.907 39.877 7.424 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.736 39.337 6.549 1.00 0.00 N ATOM 0 H HIS A 54 -19.283 36.266 4.340 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.433 37.775 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.756 35.813 6.568 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.066 36.426 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.762 37.387 5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -21.997 40.863 7.854 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.570 39.785 6.169 1.00 0.00 H new ATOM 865 N TYR A 55 -17.652 34.992 5.480 1.00 0.00 N ATOM 866 CA TYR A 55 -16.899 33.746 5.593 1.00 0.00 C ATOM 867 C TYR A 55 -15.423 33.966 5.281 1.00 0.00 C ATOM 868 O TYR A 55 -15.006 33.909 4.125 1.00 0.00 O ATOM 869 CB TYR A 55 -17.478 32.684 4.655 1.00 0.00 C ATOM 870 CG TYR A 55 -18.885 32.255 5.010 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.389 32.455 6.288 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.708 31.654 4.066 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.674 32.065 6.617 1.00 0.00 C ATOM 874 CE2 TYR A 55 -20.992 31.261 4.385 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.472 31.470 5.661 1.00 0.00 C ATOM 876 OH TYR A 55 -22.752 31.081 5.984 1.00 0.00 O ATOM 0 H TYR A 55 -17.879 35.263 4.523 1.00 0.00 H new ATOM 0 HA TYR A 55 -16.984 33.397 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.473 33.071 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.828 31.809 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.767 32.923 7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.337 31.491 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.051 32.225 7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.617 30.792 3.640 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.300 31.874 6.163 1.00 0.00 H new ATOM 886 N THR A 56 -14.636 34.217 6.322 1.00 0.00 N ATOM 887 CA THR A 56 -13.203 34.427 6.167 1.00 0.00 C ATOM 888 C THR A 56 -12.430 33.137 6.400 1.00 0.00 C ATOM 889 O THR A 56 -12.420 32.599 7.507 1.00 0.00 O ATOM 890 CB THR A 56 -12.681 35.509 7.132 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.329 36.756 6.854 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.176 35.679 6.978 1.00 0.00 C ATOM 0 H THR A 56 -14.969 34.280 7.284 1.00 0.00 H new ATOM 0 HA THR A 56 -13.044 34.762 5.142 1.00 0.00 H new ATOM 0 HB THR A 56 -12.900 35.199 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.997 37.442 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.824 36.447 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.678 34.735 7.202 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.946 35.977 5.955 1.00 0.00 H new ATOM 900 N ILE A 57 -11.778 32.643 5.353 1.00 0.00 N ATOM 901 CA ILE A 57 -11.007 31.408 5.440 1.00 0.00 C ATOM 902 C ILE A 57 -9.512 31.692 5.427 1.00 0.00 C ATOM 903 O ILE A 57 -8.972 32.186 4.435 1.00 0.00 O ATOM 904 CB ILE A 57 -11.347 30.446 4.287 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.826 30.055 4.336 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.464 29.210 4.349 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.291 29.272 3.129 1.00 0.00 C ATOM 0 H ILE A 57 -11.768 33.080 4.432 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.276 30.936 6.385 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.158 30.956 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.006 29.463 5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.428 30.959 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.717 28.540 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.418 29.506 4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.623 28.697 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.349 29.032 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.144 29.869 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.716 28.350 3.050 1.00 0.00 H new ATOM 919 N GLN A 58 -8.845 31.378 6.533 1.00 0.00 N ATOM 920 CA GLN A 58 -7.394 31.489 6.610 1.00 0.00 C ATOM 921 C GLN A 58 -6.738 30.117 6.614 1.00 0.00 C ATOM 922 O GLN A 58 -6.833 29.374 7.593 1.00 0.00 O ATOM 923 CB GLN A 58 -6.982 32.263 7.864 1.00 0.00 C ATOM 924 CG GLN A 58 -7.398 33.724 7.859 1.00 0.00 C ATOM 925 CD GLN A 58 -6.699 34.521 6.773 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.486 34.403 6.581 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.461 35.343 6.060 1.00 0.00 N ATOM 0 H GLN A 58 -9.288 31.044 7.389 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.055 32.031 5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.417 31.776 8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.899 32.206 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.477 33.791 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.175 34.166 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.460 35.409 6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.047 35.909 5.319 1.00 0.00 H new ATOM 936 N ARG A 59 -6.068 29.781 5.516 1.00 0.00 N ATOM 937 CA ARG A 59 -5.456 28.468 5.358 1.00 0.00 C ATOM 938 C ARG A 59 -3.962 28.518 5.649 1.00 0.00 C ATOM 939 O ARG A 59 -3.170 28.928 4.800 1.00 0.00 O ATOM 940 CB ARG A 59 -5.739 27.864 3.991 1.00 0.00 C ATOM 941 CG ARG A 59 -5.335 26.406 3.839 1.00 0.00 C ATOM 942 CD ARG A 59 -5.473 25.873 2.460 1.00 0.00 C ATOM 943 NE ARG A 59 -6.828 25.905 1.934 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.279 26.801 1.034 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.499 27.760 0.585 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.533 26.705 0.631 1.00 0.00 N ATOM 0 H ARG A 59 -5.935 30.404 4.719 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.917 27.809 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.805 27.954 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.217 28.451 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.299 26.294 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.942 25.801 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.825 26.446 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.115 24.844 2.444 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.484 25.199 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.538 27.833 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.855 28.430 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.132 25.967 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.902 27.369 -0.049 1.00 0.00 H new ATOM 960 N ASP A 60 -3.581 28.100 6.851 1.00 0.00 N ATOM 961 CA ASP A 60 -2.174 28.024 7.225 1.00 0.00 C ATOM 962 C ASP A 60 -1.481 26.856 6.533 1.00 0.00 C ATOM 963 O ASP A 60 -2.020 25.752 6.469 1.00 0.00 O ATOM 964 CB ASP A 60 -2.029 27.895 8.743 1.00 0.00 C ATOM 965 CG ASP A 60 -0.598 28.009 9.251 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.299 28.025 8.441 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.422 28.236 10.424 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.228 27.808 7.584 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.694 28.947 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.633 28.666 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.436 26.933 9.054 1.00 0.00 H new ATOM 972 N LEU A 61 -0.285 27.108 6.016 1.00 0.00 N ATOM 973 CA LEU A 61 0.462 26.094 5.277 1.00 0.00 C ATOM 974 C LEU A 61 0.951 24.990 6.203 1.00 0.00 C ATOM 975 O LEU A 61 1.439 23.955 5.749 1.00 0.00 O ATOM 976 CB LEU A 61 1.646 26.734 4.542 1.00 0.00 C ATOM 977 CG LEU A 61 1.266 27.721 3.430 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.519 28.365 2.854 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.488 26.990 2.345 1.00 0.00 C ATOM 0 H LEU A 61 0.190 28.007 6.094 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.210 25.648 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.268 27.254 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.257 25.941 4.110 1.00 0.00 H new ATOM 0 HG LEU A 61 0.636 28.509 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.239 29.064 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.048 28.900 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.168 27.593 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.218 27.691 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.105 26.194 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.417 26.560 2.773 1.00 0.00 H new ATOM 991 N ASP A 62 0.821 25.215 7.505 1.00 0.00 N ATOM 992 CA ASP A 62 1.164 24.199 8.498 1.00 0.00 C ATOM 993 C ASP A 62 0.213 23.014 8.422 1.00 0.00 C ATOM 994 O ASP A 62 0.505 21.935 8.940 1.00 0.00 O ATOM 995 CB ASP A 62 1.145 24.797 9.907 1.00 0.00 C ATOM 996 CG ASP A 62 2.314 25.724 10.212 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.254 25.733 9.453 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.192 26.526 11.107 1.00 0.00 O1- ATOM 0 H ASP A 62 0.481 26.092 7.900 1.00 0.00 H new ATOM 0 HA ASP A 62 2.171 23.845 8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.215 25.349 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.142 23.984 10.634 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.931 23.218 7.773 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.891 22.140 7.559 1.00 0.00 C ATOM 1005 C GLY A 63 -3.178 22.389 8.338 1.00 0.00 C ATOM 1006 O GLY A 63 -4.002 21.489 8.493 1.00 0.00 O ATOM 0 H GLY A 63 -1.215 24.119 7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.116 22.055 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.452 21.191 7.869 1.00 0.00 H new ATOM 1010 N THR A 64 -3.342 23.614 8.826 1.00 0.00 N ATOM 1011 CA THR A 64 -4.536 23.988 9.576 1.00 0.00 C ATOM 1012 C THR A 64 -5.206 25.214 8.969 1.00 0.00 C ATOM 1013 O THR A 64 -4.535 26.144 8.525 1.00 0.00 O ATOM 1014 CB THR A 64 -4.209 24.275 11.053 1.00 0.00 C ATOM 1015 OG1 THR A 64 -5.413 24.606 11.757 1.00 0.00 O ATOM 1016 CG2 THR A 64 -3.225 25.430 11.167 1.00 0.00 C ATOM 0 H THR A 64 -2.662 24.366 8.715 1.00 0.00 H new ATOM 0 HA THR A 64 -5.218 23.140 9.522 1.00 0.00 H new ATOM 0 HB THR A 64 -3.759 23.383 11.489 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.161 24.095 11.384 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.006 25.619 12.218 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.303 25.176 10.644 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.660 26.324 10.721 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.536 25.207 8.954 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.299 26.294 8.353 1.00 0.00 C ATOM 1026 C CYS A 65 -8.488 26.680 9.226 1.00 0.00 C ATOM 1027 O CYS A 65 -9.175 25.814 9.772 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.773 25.685 7.034 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.566 26.859 5.908 1.00 0.00 S ATOM 0 H CYS A 65 -7.106 24.461 9.351 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.718 27.208 8.228 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.918 25.236 6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.474 24.879 7.252 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.928 26.242 4.822 1.00 0.00 H new ATOM 1035 N SER A 66 -8.724 27.979 9.351 1.00 0.00 N ATOM 1036 CA SER A 66 -9.801 28.481 10.196 1.00 0.00 C ATOM 1037 C SER A 66 -10.828 29.254 9.380 1.00 0.00 C ATOM 1038 O SER A 66 -10.486 30.183 8.647 1.00 0.00 O ATOM 1039 CB SER A 66 -9.235 29.357 11.297 1.00 0.00 C ATOM 1040 OG SER A 66 -10.240 29.904 12.105 1.00 0.00 O ATOM 0 H SER A 66 -8.185 28.705 8.879 1.00 0.00 H new ATOM 0 HA SER A 66 -10.306 27.626 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.555 28.769 11.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.649 30.162 10.854 1.00 0.00 H new ATOM 0 HG SER A 66 -10.987 29.273 12.170 1.00 0.00 H new ATOM 1046 N LEU A 67 -12.092 28.867 9.512 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.183 29.558 8.833 1.00 0.00 C ATOM 1048 C LEU A 67 -13.903 30.509 9.778 1.00 0.00 C ATOM 1049 O LEU A 67 -14.942 30.166 10.343 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.170 28.542 8.244 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.162 29.113 7.222 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -16.038 27.999 6.667 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.010 30.188 7.883 1.00 0.00 C ATOM 0 H LEU A 67 -12.387 28.076 10.085 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.757 30.148 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.603 27.742 7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.733 28.091 9.061 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.614 29.560 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.739 28.414 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.411 27.252 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.592 27.532 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.715 30.593 7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.559 29.755 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.365 30.987 8.248 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.346 31.705 9.950 1.00 0.00 N ATOM 1066 CA HIS A 68 -13.938 32.704 10.828 1.00 0.00 C ATOM 1067 C HIS A 68 -15.192 33.313 10.210 1.00 0.00 C ATOM 1068 O HIS A 68 -15.140 33.906 9.134 1.00 0.00 O ATOM 1069 CB HIS A 68 -12.924 33.808 11.148 1.00 0.00 C ATOM 1070 CG HIS A 68 -13.510 34.965 11.897 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.030 34.840 13.169 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -13.660 36.266 11.555 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -14.473 36.017 13.577 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -14.261 36.898 12.616 1.00 0.00 N ATOM 0 H HIS A 68 -12.485 32.004 9.492 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.222 32.203 11.753 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.110 33.382 11.734 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -12.490 34.172 10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -13.363 36.722 10.622 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.930 36.223 14.533 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.504 37.888 12.655 1.00 0.00 H new ATOM 1082 N THR A 69 -16.315 33.160 10.900 1.00 0.00 N ATOM 1083 CA THR A 69 -17.575 33.744 10.451 1.00 0.00 C ATOM 1084 C THR A 69 -17.886 35.028 11.210 1.00 0.00 C ATOM 1085 O THR A 69 -17.999 35.025 12.437 1.00 0.00 O ATOM 1086 CB THR A 69 -18.749 32.762 10.623 1.00 0.00 C ATOM 1087 OG1 THR A 69 -18.492 31.570 9.869 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.046 33.393 10.142 1.00 0.00 C ATOM 0 H THR A 69 -16.380 32.637 11.773 1.00 0.00 H new ATOM 0 HA THR A 69 -17.456 33.969 9.391 1.00 0.00 H new ATOM 0 HB THR A 69 -18.847 32.517 11.681 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.239 30.945 9.980 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.865 32.685 10.271 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.250 34.293 10.722 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.955 33.654 9.088 1.00 0.00 H new ATOM 1096 N THR A 70 -18.024 36.126 10.474 1.00 0.00 N ATOM 1097 CA THR A 70 -18.218 37.438 11.081 1.00 0.00 C ATOM 1098 C THR A 70 -19.589 37.544 11.735 1.00 0.00 C ATOM 1099 O THR A 70 -19.716 38.047 12.853 1.00 0.00 O ATOM 1100 CB THR A 70 -18.064 38.568 10.048 1.00 0.00 C ATOM 1101 OG1 THR A 70 -16.729 38.565 9.526 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.351 39.919 10.688 1.00 0.00 C ATOM 0 H THR A 70 -18.005 36.133 9.454 1.00 0.00 H new ATOM 0 HA THR A 70 -17.446 37.549 11.842 1.00 0.00 H new ATOM 0 HB THR A 70 -18.777 38.400 9.241 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.634 39.284 8.867 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.237 40.706 9.943 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.370 39.929 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.651 40.090 11.506 1.00 0.00 H new ATOM 1110 N ALA A 71 -20.611 37.067 11.034 1.00 0.00 N ATOM 1111 CA ALA A 71 -21.987 37.188 11.506 1.00 0.00 C ATOM 1112 C ALA A 71 -22.811 35.970 11.118 1.00 0.00 C ATOM 1113 O ALA A 71 -23.454 35.950 10.069 1.00 0.00 O ATOM 1114 CB ALA A 71 -22.624 38.458 10.960 1.00 0.00 C ATOM 0 H ALA A 71 -20.514 36.593 10.136 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.966 37.245 12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -23.650 38.535 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.055 39.324 11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -22.624 38.426 9.870 1.00 0.00 H new ATOM 1120 N SER A 72 -22.789 34.950 11.971 1.00 0.00 N ATOM 1121 CA SER A 72 -23.536 33.722 11.719 1.00 0.00 C ATOM 1122 C SER A 72 -24.993 33.868 12.139 1.00 0.00 C ATOM 1123 O SER A 72 -25.309 33.882 13.325 1.00 0.00 O ATOM 1124 CB SER A 72 -22.890 32.560 12.449 1.00 0.00 C ATOM 1125 OG SER A 72 -23.602 31.367 12.270 1.00 0.00 O ATOM 0 H SER A 72 -22.261 34.950 12.844 1.00 0.00 H new ATOM 0 HA SER A 72 -23.515 33.525 10.647 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.869 32.430 12.091 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.828 32.789 13.513 1.00 0.00 H new ATOM 0 HG SER A 72 -23.164 30.825 11.581 1.00 0.00 H new ATOM 1131 N THR A 73 -25.877 33.976 11.153 1.00 0.00 N ATOM 1132 CA THR A 73 -27.300 34.155 11.416 1.00 0.00 C ATOM 1133 C THR A 73 -28.059 32.842 11.260 1.00 0.00 C ATOM 1134 O THR A 73 -27.470 31.808 10.946 1.00 0.00 O ATOM 1135 CB THR A 73 -27.921 35.209 10.480 1.00 0.00 C ATOM 1136 OG1 THR A 73 -27.898 34.726 9.131 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.145 36.513 10.561 1.00 0.00 C ATOM 0 H THR A 73 -25.633 33.943 10.163 1.00 0.00 H new ATOM 0 HA THR A 73 -27.387 34.502 12.446 1.00 0.00 H new ATOM 0 HB THR A 73 -28.950 35.390 10.790 1.00 0.00 H new ATOM 0 HG1 THR A 73 -26.976 34.512 8.876 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.597 37.247 9.894 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.170 36.888 11.584 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.111 36.340 10.263 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.367 32.892 11.479 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.207 31.703 11.376 1.00 0.00 C ATOM 1147 C LEU A 74 -30.126 31.093 9.982 1.00 0.00 C ATOM 1148 O LEU A 74 -30.230 29.877 9.822 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.660 32.049 11.723 1.00 0.00 C ATOM 1150 CG LEU A 74 -31.913 32.401 13.195 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.342 32.897 13.375 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.653 31.179 14.062 1.00 0.00 C ATOM 0 H LEU A 74 -29.870 33.743 11.729 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.839 30.965 12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.974 32.891 11.105 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.293 31.203 11.454 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.235 33.198 13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.512 33.144 14.423 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.499 33.785 12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.039 32.117 13.069 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.833 31.430 15.107 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.321 30.371 13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.618 30.859 13.939 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.940 31.944 8.976 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.813 31.485 7.603 1.00 0.00 C ATOM 1166 C ASP A 75 -28.444 30.856 7.358 1.00 0.00 C ATOM 1167 O ASP A 75 -28.239 30.159 6.361 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.045 32.642 6.629 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.492 33.108 6.539 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.352 32.406 7.016 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.712 34.226 6.140 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.874 32.955 9.090 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.573 30.723 7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.423 33.485 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.712 32.338 5.637 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.512 31.107 8.269 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.169 30.545 8.167 1.00 0.00 C ATOM 1178 C ASP A 76 -26.044 29.260 8.976 1.00 0.00 C ATOM 1179 O ASP A 76 -24.994 28.617 8.973 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.129 31.567 8.634 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.064 32.831 7.792 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.948 32.718 6.594 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.289 33.890 8.327 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.661 31.697 9.088 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.985 30.303 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.348 31.844 9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.147 31.094 8.632 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.116 28.894 9.666 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.153 27.648 10.421 1.00 0.00 C ATOM 1190 C ASP A 77 -27.092 26.439 9.493 1.00 0.00 C ATOM 1191 O ASP A 77 -27.877 26.327 8.551 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.415 27.581 11.288 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.503 26.346 12.174 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.814 25.390 11.901 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.137 26.419 13.199 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.974 29.444 9.719 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.277 27.626 11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.456 28.469 11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.290 27.611 10.638 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.152 25.543 9.763 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.971 24.349 8.942 1.00 0.00 C ATOM 1202 C GLY A 78 -24.597 23.726 9.166 1.00 0.00 C ATOM 1203 O GLY A 78 -23.922 24.031 10.148 1.00 0.00 O ATOM 0 H GLY A 78 -25.501 25.619 10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.746 23.621 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.088 24.607 7.890 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.191 22.857 8.248 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.964 22.088 8.413 1.00 0.00 C ATOM 1209 C ASN A 79 -21.858 22.619 7.517 1.00 0.00 C ATOM 1210 O ASN A 79 -21.905 22.464 6.295 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.195 20.612 8.144 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.226 19.987 9.041 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.082 19.969 10.268 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.225 19.402 8.430 1.00 0.00 N ATOM 0 H ASN A 79 -24.694 22.667 7.381 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.650 22.200 9.451 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.504 20.485 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.252 20.078 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.931 18.901 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.298 19.447 7.414 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.858 23.250 8.127 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.713 23.772 7.386 1.00 0.00 C ATOM 1223 C TYR A 80 -18.674 22.685 7.146 1.00 0.00 C ATOM 1224 O TYR A 80 -17.589 22.711 7.728 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.082 24.944 8.139 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.960 26.174 8.206 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.103 26.194 8.992 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.641 27.314 7.485 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.906 27.311 9.060 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.439 28.443 7.542 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.571 28.435 8.331 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.368 29.556 8.394 1.00 0.00 O ATOM 0 H TYR A 80 -20.817 23.412 9.133 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.070 24.123 6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.843 24.625 9.153 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.140 25.208 7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.369 25.316 9.562 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.754 27.321 6.868 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.791 27.308 9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.178 29.323 6.974 1.00 0.00 H new ATOM 0 HH TYR A 80 -22.398 29.986 7.514 1.00 0.00 H new ATOM 1242 N THR A 81 -19.011 21.730 6.285 1.00 0.00 N ATOM 1243 CA THR A 81 -18.180 20.549 6.086 1.00 0.00 C ATOM 1244 C THR A 81 -16.828 20.920 5.492 1.00 0.00 C ATOM 1245 O THR A 81 -16.748 21.709 4.550 1.00 0.00 O ATOM 1246 CB THR A 81 -18.867 19.522 5.168 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.119 19.125 5.743 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.987 18.296 4.985 1.00 0.00 C ATOM 0 H THR A 81 -19.855 21.752 5.713 1.00 0.00 H new ATOM 0 HA THR A 81 -18.031 20.102 7.069 1.00 0.00 H new ATOM 0 HB THR A 81 -19.036 19.984 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.556 18.473 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.490 17.581 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.039 18.592 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.801 17.834 5.954 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.764 20.348 6.048 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.417 20.574 5.538 1.00 0.00 C ATOM 1258 C ILE A 82 -13.889 19.342 4.817 1.00 0.00 C ATOM 1259 O ILE A 82 -14.106 18.212 5.255 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.444 20.956 6.667 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.995 20.775 6.205 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.717 20.123 7.911 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.969 21.170 7.244 1.00 0.00 C ATOM 0 H ILE A 82 -15.810 19.724 6.853 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.481 21.402 4.833 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.598 22.006 6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.838 19.732 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.834 21.368 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.019 20.407 8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.738 20.299 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.589 19.066 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.967 21.014 6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.097 22.222 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.102 20.560 8.137 1.00 0.00 H new ATOM 1275 N MET A 83 -13.195 19.564 3.706 1.00 0.00 N ATOM 1276 CA MET A 83 -12.659 18.472 2.902 1.00 0.00 C ATOM 1277 C MET A 83 -11.150 18.589 2.746 1.00 0.00 C ATOM 1278 O MET A 83 -10.644 19.579 2.213 1.00 0.00 O ATOM 1279 CB MET A 83 -13.331 18.447 1.530 1.00 0.00 C ATOM 1280 CG MET A 83 -12.805 17.369 0.591 1.00 0.00 C ATOM 1281 SD MET A 83 -13.716 17.298 -0.965 1.00 0.00 S ATOM 1282 CE MET A 83 -13.177 18.818 -1.742 1.00 0.00 C ATOM 0 H MET A 83 -12.990 20.494 3.341 1.00 0.00 H new ATOM 0 HA MET A 83 -12.872 17.537 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.403 18.301 1.666 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.199 19.420 1.057 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.752 17.556 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.864 16.400 1.087 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.033 19.478 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.439 19.309 -1.107 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.730 18.593 -2.710 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.430 17.574 3.212 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.977 17.545 3.087 1.00 0.00 C ATOM 1294 C ALA A 84 -8.551 16.852 1.797 1.00 0.00 C ATOM 1295 O ALA A 84 -8.171 15.682 1.805 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.356 16.855 4.294 1.00 0.00 C ATOM 0 H ALA A 84 -10.829 16.760 3.680 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.619 18.574 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.271 16.841 4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.624 17.397 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.728 15.832 4.360 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.615 17.583 0.688 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.327 17.017 -0.622 1.00 0.00 C ATOM 1304 C ALA A 85 -6.861 17.202 -0.992 1.00 0.00 C ATOM 1305 O ALA A 85 -6.375 18.328 -1.093 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.231 17.636 -1.678 1.00 0.00 C ATOM 0 H ALA A 85 -8.865 18.572 0.673 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.526 15.946 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.003 17.202 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.273 17.437 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.065 18.713 -1.713 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.163 16.089 -1.195 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.798 16.123 -1.707 1.00 0.00 C ATOM 1314 C ASN A 86 -4.558 15.004 -2.711 1.00 0.00 C ATOM 1315 O ASN A 86 -5.453 14.210 -2.996 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.780 16.046 -0.585 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.570 14.655 -0.051 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.252 13.705 -0.455 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.690 14.545 0.910 1.00 0.00 N ATOM 0 H ASN A 86 -6.521 15.151 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.671 17.078 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.827 16.435 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.102 16.694 0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.540 13.644 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.153 15.360 1.206 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.341 14.945 -3.243 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.011 13.994 -4.295 1.00 0.00 C ATOM 1328 C PRO A 87 -3.244 12.560 -3.836 1.00 0.00 C ATOM 1329 O PRO A 87 -3.493 11.668 -4.647 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.535 14.268 -4.597 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.339 15.699 -4.226 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.216 15.922 -3.022 1.00 0.00 C ATOM 0 HA PRO A 87 -3.637 14.111 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.883 13.615 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.306 14.095 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.294 15.906 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.621 16.360 -5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.684 15.723 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.577 16.949 -2.969 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.164 12.344 -2.526 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.194 10.996 -1.967 1.00 0.00 C ATOM 1342 C GLN A 88 -4.618 10.563 -1.653 1.00 0.00 C ATOM 1343 O GLN A 88 -4.857 9.420 -1.262 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.341 10.923 -0.698 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.883 11.300 -0.906 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.205 10.434 -1.950 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.328 9.206 -1.934 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.521 11.070 -2.863 1.00 0.00 N ATOM 0 H GLN A 88 -3.078 13.086 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.783 10.318 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.772 11.583 0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.390 9.910 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.821 12.345 -1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.349 11.210 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.595 12.087 -2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.005 10.541 -3.589 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.565 11.479 -1.829 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.969 11.188 -1.575 1.00 0.00 C ATOM 1359 C GLY A 89 -7.654 12.350 -0.867 1.00 0.00 C ATOM 1360 O GLY A 89 -7.063 13.419 -0.695 1.00 0.00 O ATOM 0 H GLY A 89 -5.384 12.431 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.477 10.983 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.052 10.288 -0.966 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.901 12.137 -0.456 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.682 13.184 0.191 1.00 0.00 C ATOM 1366 C ARG A 90 -10.581 12.605 1.278 1.00 0.00 C ATOM 1367 O ARG A 90 -10.909 11.419 1.257 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.477 14.009 -0.810 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.551 13.240 -1.563 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.298 14.048 -2.561 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.396 13.347 -3.204 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.182 13.872 -4.165 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.018 15.111 -4.570 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.137 13.114 -4.674 1.00 0.00 N ATOM 0 H ARG A 90 -9.391 11.249 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.976 13.865 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.947 14.839 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.786 14.441 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.087 12.395 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.259 12.829 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.690 14.938 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.602 14.389 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.586 12.390 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.288 15.690 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.621 15.494 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.264 12.159 -4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.748 13.484 -5.403 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.976 13.450 2.223 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.835 13.024 3.321 1.00 0.00 C ATOM 1390 C VAL A 91 -12.536 14.213 3.965 1.00 0.00 C ATOM 1391 O VAL A 91 -11.947 15.282 4.123 1.00 0.00 O ATOM 1392 CB VAL A 91 -11.039 12.264 4.400 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.952 13.153 4.985 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.968 11.769 5.497 1.00 0.00 C ATOM 0 H VAL A 91 -10.715 14.436 2.251 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.581 12.354 2.894 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.565 11.400 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.400 12.600 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.269 13.462 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.407 14.035 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.389 11.235 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.469 12.619 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.712 11.098 5.068 1.00 0.00 H new ATOM 1404 N SER A 92 -13.797 14.021 4.337 1.00 0.00 N ATOM 1405 CA SER A 92 -14.636 15.120 4.797 1.00 0.00 C ATOM 1406 C SER A 92 -14.947 14.994 6.282 1.00 0.00 C ATOM 1407 O SER A 92 -14.974 13.892 6.831 1.00 0.00 O ATOM 1408 CB SER A 92 -15.920 15.170 3.992 1.00 0.00 C ATOM 1409 OG SER A 92 -15.681 15.431 2.636 1.00 0.00 O ATOM 0 H SER A 92 -14.261 13.113 4.329 1.00 0.00 H new ATOM 0 HA SER A 92 -14.087 16.050 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.447 14.221 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.573 15.941 4.400 1.00 0.00 H new ATOM 0 HG SER A 92 -16.533 15.453 2.152 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.178 16.130 6.930 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.634 16.143 8.315 1.00 0.00 C ATOM 1417 C CYS A 93 -16.677 17.228 8.544 1.00 0.00 C ATOM 1418 O CYS A 93 -16.516 18.361 8.094 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.352 16.457 9.087 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.570 16.590 10.878 1.00 0.00 S ATOM 0 H CYS A 93 -15.057 17.055 6.518 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.112 15.211 8.617 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.618 15.678 8.880 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.938 17.393 8.713 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.426 16.855 11.436 1.00 0.00 H new ATOM 1426 N THR A 94 -17.747 16.872 9.246 1.00 0.00 N ATOM 1427 CA THR A 94 -18.887 17.769 9.408 1.00 0.00 C ATOM 1428 C THR A 94 -18.536 18.948 10.308 1.00 0.00 C ATOM 1429 O THR A 94 -18.013 18.766 11.407 1.00 0.00 O ATOM 1430 CB THR A 94 -20.107 17.034 9.994 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.466 15.940 9.138 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.290 17.980 10.122 1.00 0.00 C ATOM 0 H THR A 94 -17.850 15.970 9.712 1.00 0.00 H new ATOM 0 HA THR A 94 -19.140 18.137 8.414 1.00 0.00 H new ATOM 0 HB THR A 94 -19.845 16.660 10.984 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.241 15.472 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.142 17.443 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.025 18.806 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.552 18.370 9.139 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.827 20.154 9.836 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.607 21.360 10.628 1.00 0.00 C ATOM 1442 C GLY A 95 -19.918 21.901 11.184 1.00 0.00 C ATOM 1443 O GLY A 95 -20.268 23.060 10.958 1.00 0.00 O ATOM 0 H GLY A 95 -19.216 20.324 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.924 21.140 11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.129 22.121 10.011 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.639 21.056 11.913 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.958 21.414 12.421 1.00 0.00 C ATOM 1449 C ARG A 96 -21.916 22.719 13.201 1.00 0.00 C ATOM 1450 O ARG A 96 -21.305 22.794 14.267 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.579 20.295 13.244 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.002 20.558 13.710 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.660 19.393 14.353 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.056 19.606 14.701 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.827 18.715 15.355 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.355 17.536 15.700 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.078 19.046 15.620 1.00 0.00 N ATOM 0 H ARG A 96 -20.331 20.117 12.166 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.602 21.565 11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.569 19.380 12.652 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.953 20.116 14.118 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.993 21.390 14.414 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.600 20.871 12.854 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.592 18.537 13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.109 19.133 15.257 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.482 20.493 14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.393 17.285 15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.951 16.873 16.195 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.437 19.956 15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.685 18.392 16.114 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.563 23.747 12.665 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.740 25.003 13.387 1.00 0.00 C ATOM 1473 C LEU A 97 -24.216 25.349 13.533 1.00 0.00 C ATOM 1474 O LEU A 97 -24.885 25.689 12.555 1.00 0.00 O ATOM 1475 CB LEU A 97 -21.994 26.136 12.673 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.218 27.536 13.259 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.708 27.590 14.692 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.509 28.569 12.395 1.00 0.00 C ATOM 0 H LEU A 97 -22.975 23.736 11.732 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.322 24.881 14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.926 25.917 12.695 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.296 26.145 11.626 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.285 27.759 13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -21.872 28.588 15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.244 26.859 15.297 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.642 27.362 14.708 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.669 29.563 12.812 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.441 28.352 12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.909 28.532 11.382 1.00 0.00 H new ATOM 1490 N MET A 98 -24.719 25.259 14.759 1.00 0.00 N ATOM 1491 CA MET A 98 -26.120 25.566 15.036 1.00 0.00 C ATOM 1492 C MET A 98 -26.280 26.998 15.530 1.00 0.00 C ATOM 1493 O MET A 98 -25.419 27.524 16.236 1.00 0.00 O ATOM 1494 CB MET A 98 -26.683 24.586 16.064 1.00 0.00 C ATOM 1495 CG MET A 98 -26.675 23.132 15.619 1.00 0.00 C ATOM 1496 SD MET A 98 -27.703 22.845 14.164 1.00 0.00 S ATOM 1497 CE MET A 98 -29.336 23.112 14.846 1.00 0.00 C ATOM 0 H MET A 98 -24.179 24.976 15.577 1.00 0.00 H new ATOM 0 HA MET A 98 -26.679 25.464 14.106 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.107 24.674 16.985 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.707 24.875 16.300 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.651 22.828 15.401 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.027 22.504 16.437 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.086 22.719 14.159 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.418 22.600 15.805 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.500 24.180 14.990 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.389 27.628 15.155 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.633 29.025 15.501 1.00 0.00 C ATOM 1509 C VAL A 99 -28.945 29.180 16.258 1.00 0.00 C ATOM 1510 O VAL A 99 -29.986 28.686 15.831 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.666 29.921 14.249 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.879 31.375 14.640 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.379 29.770 13.452 1.00 0.00 C ATOM 0 H VAL A 99 -28.134 27.193 14.611 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.807 29.340 16.139 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.500 29.605 13.622 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -27.900 31.994 13.743 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.826 31.474 15.171 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.064 31.701 15.287 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.420 30.410 12.571 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.531 30.060 14.072 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.263 28.732 13.141 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.888 29.877 17.391 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.071 30.108 18.208 1.00 0.00 C ATOM 1525 C GLN A 100 -30.714 31.450 17.882 1.00 0.00 C ATOM 1526 O GLN A 100 -30.025 32.424 17.579 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.712 30.055 19.696 1.00 0.00 C ATOM 1528 CG GLN A 100 -29.134 28.725 20.150 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.125 27.586 20.014 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -31.254 27.664 20.509 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -29.710 26.517 19.344 1.00 0.00 N ATOM 0 H GLN A 100 -28.033 30.291 17.762 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.788 29.319 17.983 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.992 30.844 19.913 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.606 30.269 20.282 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -28.244 28.500 19.563 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -28.818 28.806 21.190 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -28.769 26.495 18.951 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -30.332 25.718 19.222 1.00 0.00 H new ATOM 1540 N ALA A 101 -32.041 31.492 17.946 1.00 0.00 N ATOM 1541 CA ALA A 101 -32.781 32.711 17.645 1.00 0.00 C ATOM 1542 C ALA A 101 -32.693 33.709 18.793 1.00 0.00 C ATOM 1543 O ALA A 101 -32.666 33.321 19.962 1.00 0.00 O ATOM 1544 CB ALA A 101 -34.237 32.386 17.331 1.00 0.00 C ATOM 0 H ALA A 101 -32.625 30.696 18.203 1.00 0.00 H new ATOM 0 HA ALA A 101 -32.327 33.171 16.767 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -34.776 33.307 17.108 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -34.284 31.721 16.469 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -34.694 31.897 18.191 1.00 0.00 H new ATOM 1550 N VAL A 102 -32.651 34.993 18.455 1.00 0.00 N ATOM 1551 CA VAL A 102 -32.583 36.047 19.458 1.00 0.00 C ATOM 1552 C VAL A 102 -33.710 37.054 19.277 1.00 0.00 C ATOM 1553 O VAL A 102 -33.799 37.721 18.244 1.00 0.00 O ATOM 1554 CB VAL A 102 -31.233 36.788 19.409 1.00 0.00 C ATOM 1555 CG1 VAL A 102 -31.196 37.897 20.449 1.00 0.00 C ATOM 1556 CG2 VAL A 102 -30.083 35.816 19.628 1.00 0.00 C ATOM 0 H VAL A 102 -32.663 35.329 17.492 1.00 0.00 H new ATOM 0 HA VAL A 102 -32.686 35.562 20.429 1.00 0.00 H new ATOM 0 HB VAL A 102 -31.123 37.237 18.422 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -30.235 38.410 20.400 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -31.998 38.609 20.251 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -31.329 37.469 21.443 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -29.137 36.357 19.590 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -30.190 35.340 20.603 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -30.097 35.054 18.848 1.00 0.00 H new ATOM 1566 N ASN A 103 -34.569 37.159 20.284 1.00 0.00 N ATOM 1567 CA ASN A 103 -35.759 38.000 20.191 1.00 0.00 C ATOM 1568 C ASN A 103 -35.388 39.479 20.176 1.00 0.00 C ATOM 1569 O ASN A 103 -36.156 40.314 19.699 1.00 0.00 O ATOM 1570 CB ASN A 103 -36.731 37.714 21.321 1.00 0.00 C ATOM 1571 CG ASN A 103 -37.449 36.400 21.185 1.00 0.00 C ATOM 1572 OD1 ASN A 103 -37.552 35.837 20.089 1.00 0.00 O ATOM 1573 ND2 ASN A 103 -38.015 35.950 22.275 1.00 0.00 N ATOM 0 H ASN A 103 -34.465 36.673 21.175 1.00 0.00 H new ATOM 0 HA ASN A 103 -36.252 37.758 19.249 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -36.188 37.725 22.266 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -37.467 38.517 21.367 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -38.573 35.096 22.245 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -37.899 36.453 23.155 1.00 0.00 H new ATOM 1580 N GLN A 104 -34.212 39.792 20.701 1.00 0.00 N ATOM 1581 CA GLN A 104 -33.748 41.172 20.774 1.00 0.00 C ATOM 1582 C GLN A 104 -32.984 41.568 19.517 1.00 0.00 C ATOM 1583 O GLN A 104 -32.595 42.725 19.355 1.00 0.00 O ATOM 1584 CB GLN A 104 -32.857 41.372 22.004 1.00 0.00 C ATOM 1585 CG GLN A 104 -33.546 41.080 23.326 1.00 0.00 C ATOM 1586 CD GLN A 104 -34.756 41.966 23.557 1.00 0.00 C ATOM 1587 OE1 GLN A 104 -34.695 43.184 23.370 1.00 0.00 O ATOM 1588 NE2 GLN A 104 -35.862 41.359 23.970 1.00 0.00 N ATOM 0 H GLN A 104 -33.560 39.108 21.084 1.00 0.00 H new ATOM 0 HA GLN A 104 -34.627 41.811 20.857 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -31.982 40.729 21.913 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -32.497 42.401 22.014 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -33.855 40.035 23.348 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -32.836 41.220 24.141 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -35.867 40.349 24.111 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -36.707 41.903 24.146 1.00 0.00 H new ATOM 1597 N ARG A 105 -32.777 40.600 18.630 1.00 0.00 N ATOM 1598 CA ARG A 105 -32.078 40.848 17.377 1.00 0.00 C ATOM 1599 C ARG A 105 -32.917 41.703 16.435 1.00 0.00 C ATOM 1600 O ARG A 105 -33.921 41.241 15.892 1.00 0.00 O ATOM 1601 CB ARG A 105 -31.627 39.558 16.707 1.00 0.00 C ATOM 1602 CG ARG A 105 -30.902 39.744 15.383 1.00 0.00 C ATOM 1603 CD ARG A 105 -29.577 40.406 15.497 1.00 0.00 C ATOM 1604 NE ARG A 105 -28.558 39.604 16.156 1.00 0.00 N ATOM 1605 CZ ARG A 105 -27.435 40.099 16.709 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -27.162 41.384 16.654 1.00 0.00 N1+ ATOM 1607 NH2 ARG A 105 -26.600 39.255 17.289 1.00 0.00 N ATOM 0 H ARG A 105 -33.084 39.636 18.757 1.00 0.00 H new ATOM 0 HA ARG A 105 -31.176 41.409 17.620 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -30.971 39.020 17.391 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -32.500 38.927 16.541 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -30.768 38.768 14.916 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -31.533 40.333 14.717 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -29.227 40.666 14.498 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -29.697 41.340 16.045 1.00 0.00 H new ATOM 0 HE ARG A 105 -28.705 38.596 16.202 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -27.806 42.023 16.187 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -26.306 41.742 17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -26.815 38.258 17.309 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -25.741 39.600 17.717 1.00 0.00 H new ATOM 1621 N GLY A 106 -32.502 42.952 16.248 1.00 0.00 N ATOM 1622 CA GLY A 106 -33.252 43.891 15.423 1.00 0.00 C ATOM 1623 C GLY A 106 -33.171 43.515 13.946 1.00 0.00 C ATOM 1624 O GLY A 106 -33.970 43.978 13.136 1.00 0.00 O ATOM 0 H GLY A 106 -31.650 43.337 16.657 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -34.295 43.906 15.741 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -32.861 44.898 15.567 1.00 0.00 H new ATOM 1628 N ARG A 107 -32.199 42.672 13.609 1.00 0.00 N ATOM 1629 CA ARG A 107 -32.008 42.241 12.231 1.00 0.00 C ATOM 1630 C ARG A 107 -32.800 40.972 11.937 1.00 0.00 C ATOM 1631 O ARG A 107 -32.812 40.486 10.806 1.00 0.00 O ATOM 1632 CB ARG A 107 -30.536 42.074 11.881 1.00 0.00 C ATOM 1633 CG ARG A 107 -29.720 43.357 11.922 1.00 0.00 C ATOM 1634 CD ARG A 107 -28.281 43.177 11.601 1.00 0.00 C ATOM 1635 NE ARG A 107 -27.488 44.393 11.688 1.00 0.00 N ATOM 1636 CZ ARG A 107 -26.148 44.442 11.561 1.00 0.00 C ATOM 1637 NH1 ARG A 107 -25.443 43.347 11.380 1.00 0.00 N1+ ATOM 1638 NH2 ARG A 107 -25.555 45.620 11.648 1.00 0.00 N ATOM 0 H ARG A 107 -31.533 42.275 14.272 1.00 0.00 H new ATOM 0 HA ARG A 107 -32.396 43.033 11.590 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -30.092 41.356 12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -30.461 41.644 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -30.151 44.070 11.219 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -29.806 43.797 12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -27.860 42.434 12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -28.194 42.773 10.592 1.00 0.00 H new ATOM 0 HE ARG A 107 -27.981 45.270 11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -25.910 42.441 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -24.429 43.403 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -26.111 46.460 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -24.542 45.689 11.556 1.00 0.00 H new ATOM 1652 N SER A 108 -33.458 40.438 12.964 1.00 0.00 N ATOM 1653 CA SER A 108 -34.245 39.221 12.818 1.00 0.00 C ATOM 1654 C SER A 108 -35.499 39.472 11.993 1.00 0.00 C ATOM 1655 O SER A 108 -35.650 38.967 11.140 1.00 0.00 O ATOM 1656 CB SER A 108 -34.611 38.669 14.181 1.00 0.00 C ATOM 1657 OG SER A 108 -35.406 37.519 14.088 1.00 0.00 O ATOM 1658 OXT SER A 108 -36.314 40.272 12.364 1.00 0.00 O1- ATOM 0 H SER A 108 -33.460 40.831 13.905 1.00 0.00 H new ATOM 0 HA SER A 108 -33.638 38.486 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 108 -33.701 38.436 14.734 1.00 0.00 H new ATOM 0 HB3 SER A 108 -35.143 39.432 14.750 1.00 0.00 H new ATOM 0 HG SER A 108 -35.618 37.194 14.988 1.00 0.00 H new TER 1664 SER A 108