USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 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 34 ASN : amide:sc= -2.94! C(o=-3.2!,f=-5.8!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -104:sc= -0.301 (180deg=0) USER MOD Single : A 19 SER OG : rot -170:sc= -1.66! USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 30 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.9!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -13.9! C(o=-14!,f=-29!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= -1.51 (180deg=-3.1!) USER MOD Single : A 47 HIS : no HD1:sc= -3.45! K(o=-3.5!,f=-1.3) USER MOD Single : A 48 THR OG1 : rot 31:sc= -0.163 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -3.78! (180deg=-4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.359 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -7.23 (180deg=-7.57!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -9.418 -10.917 3.616 1.00 0.00 N ATOM 2 CA GLU A 16 -10.346 -9.837 3.169 1.00 0.00 C ATOM 3 C GLU A 16 -9.552 -8.578 2.804 1.00 0.00 C ATOM 4 O GLU A 16 -8.506 -8.313 3.362 1.00 0.00 O ATOM 5 CB GLU A 16 -11.251 -9.569 4.372 1.00 0.00 C ATOM 6 CG GLU A 16 -12.465 -8.752 3.924 1.00 0.00 C ATOM 7 CD GLU A 16 -13.590 -9.698 3.503 1.00 0.00 C ATOM 8 OE1 GLU A 16 -13.350 -10.524 2.637 1.00 0.00 O ATOM 9 OE2 GLU A 16 -14.674 -9.579 4.051 1.00 0.00 O ATOM 0 HA GLU A 16 -10.917 -10.122 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.576 -10.511 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.700 -9.029 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.802 -8.107 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.192 -8.102 3.093 1.00 0.00 H new ATOM 16 N GLU A 17 -10.039 -7.804 1.874 1.00 0.00 N ATOM 17 CA GLU A 17 -9.304 -6.566 1.477 1.00 0.00 C ATOM 18 C GLU A 17 -10.073 -5.817 0.378 1.00 0.00 C ATOM 19 O GLU A 17 -11.272 -5.956 0.246 1.00 0.00 O ATOM 20 CB GLU A 17 -7.952 -7.065 0.960 1.00 0.00 C ATOM 21 CG GLU A 17 -8.168 -8.189 -0.054 1.00 0.00 C ATOM 22 CD GLU A 17 -6.834 -8.542 -0.715 1.00 0.00 C ATOM 23 OE1 GLU A 17 -6.098 -9.322 -0.136 1.00 0.00 O ATOM 24 OE2 GLU A 17 -6.573 -8.026 -1.788 1.00 0.00 O ATOM 0 H GLU A 17 -10.911 -7.973 1.372 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.189 -5.865 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.404 -6.245 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.345 -7.424 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.584 -9.066 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.890 -7.878 -0.810 1.00 0.00 H new ATOM 31 N GLU A 18 -9.386 -5.019 -0.401 1.00 0.00 N ATOM 32 CA GLU A 18 -10.055 -4.246 -1.495 1.00 0.00 C ATOM 33 C GLU A 18 -11.451 -3.771 -1.072 1.00 0.00 C ATOM 34 O GLU A 18 -12.458 -4.268 -1.539 1.00 0.00 O ATOM 35 CB GLU A 18 -10.138 -5.209 -2.686 1.00 0.00 C ATOM 36 CG GLU A 18 -10.922 -6.469 -2.305 1.00 0.00 C ATOM 37 CD GLU A 18 -11.362 -7.195 -3.578 1.00 0.00 C ATOM 38 OE1 GLU A 18 -12.166 -6.636 -4.307 1.00 0.00 O ATOM 39 OE2 GLU A 18 -10.890 -8.297 -3.803 1.00 0.00 O ATOM 0 H GLU A 18 -8.380 -4.868 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.496 -3.344 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.621 -4.714 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.134 -5.483 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.303 -7.126 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.792 -6.202 -1.705 1.00 0.00 H new ATOM 46 N SER A 19 -11.520 -2.798 -0.205 1.00 0.00 N ATOM 47 CA SER A 19 -12.850 -2.285 0.236 1.00 0.00 C ATOM 48 C SER A 19 -13.055 -0.850 -0.263 1.00 0.00 C ATOM 49 O SER A 19 -12.181 -0.261 -0.868 1.00 0.00 O ATOM 50 CB SER A 19 -12.804 -2.320 1.762 1.00 0.00 C ATOM 51 OG SER A 19 -11.554 -1.808 2.206 1.00 0.00 O ATOM 0 H SER A 19 -10.715 -2.336 0.217 1.00 0.00 H new ATOM 0 HA SER A 19 -13.673 -2.880 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.620 -1.728 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.939 -3.341 2.118 1.00 0.00 H new ATOM 0 HG SER A 19 -11.456 -1.973 3.167 1.00 0.00 H new ATOM 57 N PHE A 20 -14.206 -0.285 -0.018 1.00 0.00 N ATOM 58 CA PHE A 20 -14.470 1.110 -0.479 1.00 0.00 C ATOM 59 C PHE A 20 -13.254 2.004 -0.210 1.00 0.00 C ATOM 60 O PHE A 20 -12.565 1.849 0.778 1.00 0.00 O ATOM 61 CB PHE A 20 -15.670 1.581 0.346 1.00 0.00 C ATOM 62 CG PHE A 20 -16.868 0.692 0.082 1.00 0.00 C ATOM 63 CD1 PHE A 20 -16.860 -0.209 -0.992 1.00 0.00 C ATOM 64 CD2 PHE A 20 -17.991 0.771 0.917 1.00 0.00 C ATOM 65 CE1 PHE A 20 -17.971 -1.027 -1.230 1.00 0.00 C ATOM 66 CE2 PHE A 20 -19.102 -0.047 0.678 1.00 0.00 C ATOM 67 CZ PHE A 20 -19.090 -0.947 -0.394 1.00 0.00 C ATOM 0 H PHE A 20 -14.976 -0.729 0.482 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.665 1.156 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.421 1.562 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.911 2.613 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.996 -0.272 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -17.999 1.464 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -17.964 -1.720 -2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -19.968 0.016 1.320 1.00 0.00 H new ATOM 0 HZ PHE A 20 -19.946 -1.580 -0.576 1.00 0.00 H new ATOM 77 N GLY A 21 -12.987 2.943 -1.081 1.00 0.00 N ATOM 78 CA GLY A 21 -11.818 3.847 -0.870 1.00 0.00 C ATOM 79 C GLY A 21 -10.887 3.779 -2.085 1.00 0.00 C ATOM 80 O GLY A 21 -10.601 2.712 -2.588 1.00 0.00 O ATOM 0 H GLY A 21 -13.527 3.122 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.160 4.871 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.278 3.555 0.031 1.00 0.00 H new ATOM 84 N PRO A 22 -10.444 4.933 -2.513 1.00 0.00 N ATOM 85 CA PRO A 22 -9.537 5.017 -3.680 1.00 0.00 C ATOM 86 C PRO A 22 -8.094 4.698 -3.268 1.00 0.00 C ATOM 87 O PRO A 22 -7.169 4.855 -4.041 1.00 0.00 O ATOM 88 CB PRO A 22 -9.671 6.467 -4.129 1.00 0.00 C ATOM 89 CG PRO A 22 -10.109 7.229 -2.916 1.00 0.00 C ATOM 90 CD PRO A 22 -10.751 6.254 -1.957 1.00 0.00 C ATOM 0 HA PRO A 22 -9.785 4.306 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.723 6.848 -4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.399 6.562 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.257 7.720 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.815 8.012 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -10.348 6.364 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -11.827 6.415 -1.889 1.00 0.00 H new ATOM 98 N GLN A 23 -7.898 4.243 -2.060 1.00 0.00 N ATOM 99 CA GLN A 23 -6.519 3.901 -1.593 1.00 0.00 C ATOM 100 C GLN A 23 -5.617 5.128 -1.551 1.00 0.00 C ATOM 101 O GLN A 23 -4.450 5.037 -1.870 1.00 0.00 O ATOM 102 CB GLN A 23 -5.992 2.888 -2.611 1.00 0.00 C ATOM 103 CG GLN A 23 -6.037 1.485 -2.004 1.00 0.00 C ATOM 104 CD GLN A 23 -7.485 0.996 -1.963 1.00 0.00 C ATOM 105 OE1 GLN A 23 -7.969 0.413 -2.912 1.00 0.00 O ATOM 106 NE2 GLN A 23 -8.203 1.212 -0.894 1.00 0.00 N ATOM 0 H GLN A 23 -8.636 4.092 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.534 3.504 -0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.594 2.922 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.970 3.140 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.427 0.801 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.617 1.498 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.796 1.702 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.170 0.891 -0.856 1.00 0.00 H new ATOM 115 N PRO A 24 -6.159 6.230 -1.119 1.00 0.00 N ATOM 116 CA PRO A 24 -5.342 7.452 -1.015 1.00 0.00 C ATOM 117 C PRO A 24 -4.321 7.248 0.095 1.00 0.00 C ATOM 118 O PRO A 24 -4.319 7.938 1.094 1.00 0.00 O ATOM 119 CB PRO A 24 -6.353 8.540 -0.661 1.00 0.00 C ATOM 120 CG PRO A 24 -7.485 7.805 -0.021 1.00 0.00 C ATOM 121 CD PRO A 24 -7.540 6.450 -0.679 1.00 0.00 C ATOM 0 HA PRO A 24 -4.788 7.706 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.923 9.276 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.682 9.080 -1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.327 7.709 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.424 8.342 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.868 5.678 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.236 6.439 -1.518 1.00 0.00 H new ATOM 129 N ILE A 25 -3.452 6.285 -0.076 1.00 0.00 N ATOM 130 CA ILE A 25 -2.432 6.012 0.959 1.00 0.00 C ATOM 131 C ILE A 25 -1.359 7.094 0.932 1.00 0.00 C ATOM 132 O ILE A 25 -0.404 7.050 1.682 1.00 0.00 O ATOM 133 CB ILE A 25 -1.839 4.657 0.586 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.963 4.813 -0.657 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.968 3.670 0.290 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.256 3.489 -0.950 1.00 0.00 C ATOM 0 H ILE A 25 -3.412 5.678 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.853 6.005 1.964 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.237 4.283 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.573 5.109 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.229 5.603 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.544 2.702 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.596 3.560 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.570 4.043 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.369 3.599 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.366 3.213 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.999 2.711 -1.124 1.00 0.00 H new ATOM 148 N SER A 26 -1.518 8.053 0.059 1.00 0.00 N ATOM 149 CA SER A 26 -0.521 9.158 -0.056 1.00 0.00 C ATOM 150 C SER A 26 0.131 9.467 1.297 1.00 0.00 C ATOM 151 O SER A 26 1.297 9.211 1.501 1.00 0.00 O ATOM 152 CB SER A 26 -1.328 10.362 -0.544 1.00 0.00 C ATOM 153 OG SER A 26 -2.635 10.311 0.016 1.00 0.00 O ATOM 0 H SER A 26 -2.305 8.119 -0.587 1.00 0.00 H new ATOM 0 HA SER A 26 0.293 8.896 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.832 11.288 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.386 10.358 -1.632 1.00 0.00 H new ATOM 0 HG SER A 26 -3.154 11.082 -0.294 1.00 0.00 H new ATOM 159 N ARG A 27 -0.605 10.022 2.218 1.00 0.00 N ATOM 160 CA ARG A 27 -0.009 10.360 3.547 1.00 0.00 C ATOM 161 C ARG A 27 0.133 9.113 4.431 1.00 0.00 C ATOM 162 O ARG A 27 0.854 9.119 5.411 1.00 0.00 O ATOM 163 CB ARG A 27 -0.992 11.351 4.173 1.00 0.00 C ATOM 164 CG ARG A 27 -1.194 12.539 3.228 1.00 0.00 C ATOM 165 CD ARG A 27 -1.911 13.667 3.972 1.00 0.00 C ATOM 166 NE ARG A 27 -1.565 14.910 3.224 1.00 0.00 N ATOM 167 CZ ARG A 27 -1.689 16.077 3.799 1.00 0.00 C ATOM 168 NH1 ARG A 27 -2.119 16.158 5.030 1.00 0.00 N ATOM 169 NH2 ARG A 27 -1.382 17.165 3.146 1.00 0.00 N ATOM 0 H ARG A 27 -1.592 10.257 2.112 1.00 0.00 H new ATOM 0 HA ARG A 27 0.995 10.773 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.946 10.860 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.612 11.698 5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.231 12.889 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.778 12.232 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.989 13.505 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.581 13.727 5.009 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.231 14.849 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.358 15.310 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.215 17.069 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.045 17.105 2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.480 18.075 3.597 1.00 0.00 H new ATOM 183 N LEU A 28 -0.552 8.052 4.108 1.00 0.00 N ATOM 184 CA LEU A 28 -0.460 6.817 4.947 1.00 0.00 C ATOM 185 C LEU A 28 0.957 6.236 4.939 1.00 0.00 C ATOM 186 O LEU A 28 1.680 6.329 5.913 1.00 0.00 O ATOM 187 CB LEU A 28 -1.444 5.834 4.310 1.00 0.00 C ATOM 188 CG LEU A 28 -2.769 5.874 5.074 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.535 5.431 6.518 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.321 7.300 5.066 1.00 0.00 C ATOM 0 H LEU A 28 -1.172 7.983 3.301 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.694 7.026 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.607 6.092 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.031 4.825 4.329 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.484 5.204 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.478 5.459 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.140 4.415 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.820 6.103 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.265 7.328 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.606 7.970 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.486 7.621 4.037 1.00 0.00 H new ATOM 202 N GLU A 29 1.352 5.614 3.864 1.00 0.00 N ATOM 203 CA GLU A 29 2.713 5.000 3.814 1.00 0.00 C ATOM 204 C GLU A 29 3.789 6.038 3.482 1.00 0.00 C ATOM 205 O GLU A 29 4.928 5.899 3.879 1.00 0.00 O ATOM 206 CB GLU A 29 2.622 3.953 2.701 1.00 0.00 C ATOM 207 CG GLU A 29 2.579 4.647 1.339 1.00 0.00 C ATOM 208 CD GLU A 29 3.988 4.689 0.751 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.480 3.640 0.368 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.553 5.769 0.697 1.00 0.00 O ATOM 0 H GLU A 29 0.794 5.503 3.017 1.00 0.00 H new ATOM 0 HA GLU A 29 2.996 4.572 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.479 3.281 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.730 3.342 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.907 4.113 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.186 5.658 1.445 1.00 0.00 H new ATOM 217 N GLN A 30 3.457 7.075 2.761 1.00 0.00 N ATOM 218 CA GLN A 30 4.501 8.086 2.429 1.00 0.00 C ATOM 219 C GLN A 30 4.945 8.812 3.697 1.00 0.00 C ATOM 220 O GLN A 30 6.078 9.234 3.821 1.00 0.00 O ATOM 221 CB GLN A 30 3.837 9.069 1.470 1.00 0.00 C ATOM 222 CG GLN A 30 4.910 9.870 0.730 1.00 0.00 C ATOM 223 CD GLN A 30 4.914 11.311 1.246 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.374 11.593 2.300 1.00 0.00 O ATOM 225 NE2 GLN A 30 5.500 12.242 0.545 1.00 0.00 N ATOM 0 H GLN A 30 2.525 7.264 2.393 1.00 0.00 H new ATOM 0 HA GLN A 30 5.384 7.625 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.214 8.531 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.181 9.743 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.889 9.415 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.715 9.856 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.953 12.007 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.506 13.205 0.880 1.00 0.00 H new ATOM 234 N CYS A 31 4.060 8.957 4.647 1.00 0.00 N ATOM 235 CA CYS A 31 4.436 9.649 5.908 1.00 0.00 C ATOM 236 C CYS A 31 5.226 8.687 6.790 1.00 0.00 C ATOM 237 O CYS A 31 5.865 9.080 7.745 1.00 0.00 O ATOM 238 CB CYS A 31 3.110 10.028 6.567 1.00 0.00 C ATOM 239 SG CYS A 31 3.416 11.223 7.891 1.00 0.00 S ATOM 0 H CYS A 31 3.096 8.626 4.602 1.00 0.00 H new ATOM 0 HA CYS A 31 5.060 10.527 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.432 10.454 5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.624 9.139 6.970 1.00 0.00 H new ATOM 0 HG CYS A 31 2.289 11.548 8.451 1.00 0.00 H new ATOM 245 N GLY A 32 5.199 7.425 6.461 1.00 0.00 N ATOM 246 CA GLY A 32 5.962 6.436 7.262 1.00 0.00 C ATOM 247 C GLY A 32 5.016 5.425 7.911 1.00 0.00 C ATOM 248 O GLY A 32 4.974 5.302 9.117 1.00 0.00 O ATOM 0 H GLY A 32 4.681 7.039 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.676 5.916 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.538 6.950 8.032 1.00 0.00 H new ATOM 252 N ILE A 33 4.280 4.670 7.136 1.00 0.00 N ATOM 253 CA ILE A 33 3.394 3.661 7.762 1.00 0.00 C ATOM 254 C ILE A 33 4.265 2.457 8.139 1.00 0.00 C ATOM 255 O ILE A 33 5.310 2.610 8.742 1.00 0.00 O ATOM 256 CB ILE A 33 2.314 3.316 6.705 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.162 2.575 7.394 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.887 2.429 5.589 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.197 3.590 8.011 1.00 0.00 C ATOM 0 H ILE A 33 4.257 4.711 6.117 1.00 0.00 H new ATOM 0 HA ILE A 33 2.898 4.006 8.669 1.00 0.00 H new ATOM 0 HB ILE A 33 1.961 4.245 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.636 1.949 6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.552 1.913 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.104 2.205 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.704 2.952 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.260 1.499 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.622 3.063 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.728 4.197 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.203 4.234 7.228 1.00 0.00 H new ATOM 271 N ASN A 34 3.870 1.279 7.792 1.00 0.00 N ATOM 272 CA ASN A 34 4.704 0.081 8.131 1.00 0.00 C ATOM 273 C ASN A 34 5.902 -0.011 7.175 1.00 0.00 C ATOM 274 O ASN A 34 6.269 0.959 6.541 1.00 0.00 O ATOM 275 CB ASN A 34 3.773 -1.118 7.957 1.00 0.00 C ATOM 276 CG ASN A 34 2.807 -1.182 9.142 1.00 0.00 C ATOM 277 OD1 ASN A 34 2.176 -0.201 9.480 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.668 -2.304 9.793 1.00 0.00 N ATOM 0 H ASN A 34 3.007 1.079 7.287 1.00 0.00 H new ATOM 0 HA ASN A 34 5.109 0.128 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.217 -1.029 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.354 -2.038 7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.029 -2.358 10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.198 -3.128 9.509 1.00 0.00 H new ATOM 285 N ALA A 35 6.518 -1.161 7.057 1.00 0.00 N ATOM 286 CA ALA A 35 7.687 -1.281 6.131 1.00 0.00 C ATOM 287 C ALA A 35 7.355 -0.623 4.794 1.00 0.00 C ATOM 288 O ALA A 35 8.225 -0.207 4.056 1.00 0.00 O ATOM 289 CB ALA A 35 7.912 -2.781 5.928 1.00 0.00 C ATOM 0 H ALA A 35 6.266 -2.014 7.556 1.00 0.00 H new ATOM 0 HA ALA A 35 8.573 -0.793 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.757 -2.935 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.121 -3.251 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.018 -3.227 5.493 1.00 0.00 H new ATOM 295 N ASN A 36 6.094 -0.542 4.474 1.00 0.00 N ATOM 296 CA ASN A 36 5.687 0.070 3.180 1.00 0.00 C ATOM 297 C ASN A 36 6.513 1.307 2.870 1.00 0.00 C ATOM 298 O ASN A 36 7.260 1.328 1.917 1.00 0.00 O ATOM 299 CB ASN A 36 4.231 0.470 3.363 1.00 0.00 C ATOM 300 CG ASN A 36 3.351 -0.778 3.372 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.316 -1.518 2.408 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.638 -1.046 4.429 1.00 0.00 N ATOM 0 H ASN A 36 5.325 -0.875 5.056 1.00 0.00 H new ATOM 0 HA ASN A 36 5.834 -0.628 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.109 1.019 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.923 1.138 2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.049 -1.878 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.669 -0.424 5.236 1.00 0.00 H new ATOM 309 N ASP A 37 6.355 2.345 3.654 1.00 0.00 N ATOM 310 CA ASP A 37 7.107 3.612 3.407 1.00 0.00 C ATOM 311 C ASP A 37 8.418 3.327 2.672 1.00 0.00 C ATOM 312 O ASP A 37 8.529 3.522 1.473 1.00 0.00 O ATOM 313 CB ASP A 37 7.382 4.175 4.804 1.00 0.00 C ATOM 314 CG ASP A 37 8.485 5.234 4.732 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.699 5.767 3.657 1.00 0.00 O ATOM 316 OD2 ASP A 37 9.098 5.492 5.754 1.00 0.00 O ATOM 0 H ASP A 37 5.732 2.368 4.461 1.00 0.00 H new ATOM 0 HA ASP A 37 6.549 4.309 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.472 4.613 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.681 3.371 5.477 1.00 0.00 H new ATOM 321 N VAL A 38 9.392 2.846 3.388 1.00 0.00 N ATOM 322 CA VAL A 38 10.710 2.527 2.775 1.00 0.00 C ATOM 323 C VAL A 38 10.581 1.520 1.623 1.00 0.00 C ATOM 324 O VAL A 38 11.076 1.744 0.541 1.00 0.00 O ATOM 325 CB VAL A 38 11.513 1.911 3.921 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.849 1.390 3.391 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.768 2.973 4.997 1.00 0.00 C ATOM 0 H VAL A 38 9.330 2.657 4.388 1.00 0.00 H new ATOM 0 HA VAL A 38 11.176 3.413 2.344 1.00 0.00 H new ATOM 0 HB VAL A 38 10.949 1.084 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.419 0.952 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.667 0.632 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.414 2.214 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.340 2.533 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.330 3.801 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.815 3.341 5.378 1.00 0.00 H new ATOM 337 N LYS A 39 9.956 0.399 1.846 1.00 0.00 N ATOM 338 CA LYS A 39 9.861 -0.617 0.755 1.00 0.00 C ATOM 339 C LYS A 39 8.838 -0.221 -0.313 1.00 0.00 C ATOM 340 O LYS A 39 9.175 0.010 -1.458 1.00 0.00 O ATOM 341 CB LYS A 39 9.425 -1.901 1.458 1.00 0.00 C ATOM 342 CG LYS A 39 10.640 -2.566 2.107 1.00 0.00 C ATOM 343 CD LYS A 39 10.584 -2.357 3.621 1.00 0.00 C ATOM 344 CE LYS A 39 11.948 -1.879 4.125 1.00 0.00 C ATOM 345 NZ LYS A 39 12.440 -2.976 5.005 1.00 0.00 N ATOM 0 H LYS A 39 9.510 0.141 2.726 1.00 0.00 H new ATOM 0 HA LYS A 39 10.810 -0.722 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.673 -1.677 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.964 -2.581 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.652 -3.631 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.559 -2.142 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.816 -1.624 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.308 -3.288 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.634 -1.699 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.859 -0.942 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.372 -2.721 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.771 -3.120 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.521 -3.854 4.453 1.00 0.00 H new ATOM 359 N LYS A 40 7.591 -0.181 0.042 1.00 0.00 N ATOM 360 CA LYS A 40 6.531 0.154 -0.949 1.00 0.00 C ATOM 361 C LYS A 40 6.909 1.343 -1.850 1.00 0.00 C ATOM 362 O LYS A 40 7.125 1.177 -3.032 1.00 0.00 O ATOM 363 CB LYS A 40 5.301 0.504 -0.108 1.00 0.00 C ATOM 364 CG LYS A 40 4.182 -0.520 -0.349 1.00 0.00 C ATOM 365 CD LYS A 40 2.864 0.021 0.210 1.00 0.00 C ATOM 366 CE LYS A 40 2.495 1.341 -0.472 1.00 0.00 C ATOM 367 NZ LYS A 40 1.278 1.028 -1.273 1.00 0.00 N ATOM 0 H LYS A 40 7.253 -0.368 0.986 1.00 0.00 H new ATOM 0 HA LYS A 40 6.365 -0.683 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.567 0.520 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.950 1.504 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.082 -0.720 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.431 -1.466 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.070 -0.709 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.953 0.173 1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.296 2.123 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.306 1.698 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.175 1.727 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.368 0.077 -1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.440 1.061 -0.658 1.00 0.00 H new ATOM 381 N LEU A 41 6.931 2.545 -1.328 1.00 0.00 N ATOM 382 CA LEU A 41 7.205 3.734 -2.206 1.00 0.00 C ATOM 383 C LEU A 41 8.672 3.920 -2.627 1.00 0.00 C ATOM 384 O LEU A 41 8.940 4.654 -3.558 1.00 0.00 O ATOM 385 CB LEU A 41 6.742 4.941 -1.385 1.00 0.00 C ATOM 386 CG LEU A 41 7.854 5.380 -0.428 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.553 6.623 -0.983 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.245 5.702 0.935 1.00 0.00 C ATOM 0 H LEU A 41 6.773 2.757 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 41 6.680 3.602 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.477 5.763 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.845 4.685 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 41 8.583 4.576 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.343 6.932 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.985 6.393 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.829 7.431 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.032 6.015 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.517 6.506 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.751 4.815 1.331 1.00 0.00 H new ATOM 400 N GLU A 42 9.632 3.338 -1.971 1.00 0.00 N ATOM 401 CA GLU A 42 11.030 3.617 -2.413 1.00 0.00 C ATOM 402 C GLU A 42 11.466 2.723 -3.580 1.00 0.00 C ATOM 403 O GLU A 42 12.392 3.049 -4.295 1.00 0.00 O ATOM 404 CB GLU A 42 11.909 3.380 -1.188 1.00 0.00 C ATOM 405 CG GLU A 42 13.177 4.231 -1.298 1.00 0.00 C ATOM 406 CD GLU A 42 12.796 5.709 -1.388 1.00 0.00 C ATOM 407 OE1 GLU A 42 11.665 6.031 -1.060 1.00 0.00 O ATOM 408 OE2 GLU A 42 13.642 6.495 -1.782 1.00 0.00 O ATOM 0 H GLU A 42 9.523 2.705 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 42 11.114 4.638 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.363 3.637 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.172 2.325 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.817 4.062 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.749 3.938 -2.179 1.00 0.00 H new ATOM 415 N GLU A 43 10.826 1.611 -3.793 1.00 0.00 N ATOM 416 CA GLU A 43 11.246 0.739 -4.932 1.00 0.00 C ATOM 417 C GLU A 43 10.563 1.199 -6.221 1.00 0.00 C ATOM 418 O GLU A 43 11.025 0.930 -7.313 1.00 0.00 O ATOM 419 CB GLU A 43 10.795 -0.663 -4.543 1.00 0.00 C ATOM 420 CG GLU A 43 11.344 -0.994 -3.158 1.00 0.00 C ATOM 421 CD GLU A 43 12.873 -0.979 -3.201 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.444 -1.983 -3.592 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.446 0.037 -2.843 1.00 0.00 O ATOM 0 H GLU A 43 10.041 1.267 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 43 12.320 0.777 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.707 -0.721 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.152 -1.390 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.983 -0.269 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.988 -1.973 -2.838 1.00 0.00 H new ATOM 430 N ALA A 44 9.472 1.899 -6.098 1.00 0.00 N ATOM 431 CA ALA A 44 8.750 2.395 -7.304 1.00 0.00 C ATOM 432 C ALA A 44 8.075 3.720 -6.976 1.00 0.00 C ATOM 433 O ALA A 44 8.208 4.697 -7.685 1.00 0.00 O ATOM 434 CB ALA A 44 7.693 1.338 -7.603 1.00 0.00 C ATOM 0 H ALA A 44 9.045 2.152 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 44 9.417 2.555 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.120 1.635 -8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.179 0.381 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.024 1.241 -6.748 1.00 0.00 H new ATOM 440 N GLY A 45 7.353 3.753 -5.893 1.00 0.00 N ATOM 441 CA GLY A 45 6.668 5.008 -5.498 1.00 0.00 C ATOM 442 C GLY A 45 5.152 4.791 -5.452 1.00 0.00 C ATOM 443 O GLY A 45 4.392 5.588 -5.968 1.00 0.00 O ATOM 0 H GLY A 45 7.209 2.963 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.026 5.334 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.908 5.801 -6.207 1.00 0.00 H new ATOM 447 N PHE A 46 4.692 3.736 -4.824 1.00 0.00 N ATOM 448 CA PHE A 46 3.198 3.530 -4.754 1.00 0.00 C ATOM 449 C PHE A 46 2.612 4.330 -3.587 1.00 0.00 C ATOM 450 O PHE A 46 1.533 4.042 -3.111 1.00 0.00 O ATOM 451 CB PHE A 46 2.943 2.039 -4.510 1.00 0.00 C ATOM 452 CG PHE A 46 3.826 1.214 -5.396 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.108 0.925 -4.973 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.364 0.736 -6.628 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.956 0.165 -5.762 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.213 -0.034 -7.433 1.00 0.00 C ATOM 457 CZ PHE A 46 5.514 -0.318 -6.999 1.00 0.00 C ATOM 0 H PHE A 46 5.261 3.024 -4.367 1.00 0.00 H new ATOM 0 HA PHE A 46 2.731 3.863 -5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.134 1.796 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.897 1.804 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.453 1.295 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.359 0.960 -6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.958 -0.055 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.866 -0.407 -8.385 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.174 -0.908 -7.617 1.00 0.00 H new ATOM 467 N HIS A 47 3.319 5.316 -3.116 1.00 0.00 N ATOM 468 CA HIS A 47 2.808 6.128 -1.970 1.00 0.00 C ATOM 469 C HIS A 47 1.545 6.898 -2.364 1.00 0.00 C ATOM 470 O HIS A 47 1.494 8.107 -2.265 1.00 0.00 O ATOM 471 CB HIS A 47 3.944 7.099 -1.641 1.00 0.00 C ATOM 472 CG HIS A 47 4.379 7.805 -2.897 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.441 8.696 -2.915 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.908 7.761 -4.185 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.573 9.147 -4.176 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.663 8.607 -4.992 1.00 0.00 N ATOM 0 H HIS A 47 4.232 5.599 -3.473 1.00 0.00 H new ATOM 0 HA HIS A 47 2.536 5.503 -1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.613 7.825 -0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.784 6.558 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.076 7.160 -4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.323 9.858 -4.490 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.547 8.778 -5.991 1.00 0.00 H new ATOM 484 N THR A 48 0.522 6.206 -2.792 1.00 0.00 N ATOM 485 CA THR A 48 -0.745 6.891 -3.180 1.00 0.00 C ATOM 486 C THR A 48 -1.758 5.867 -3.693 1.00 0.00 C ATOM 487 O THR A 48 -1.500 4.680 -3.710 1.00 0.00 O ATOM 488 CB THR A 48 -0.363 7.856 -4.307 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.461 8.716 -4.579 1.00 0.00 O ATOM 490 CG2 THR A 48 -0.018 7.060 -5.566 1.00 0.00 C ATOM 0 H THR A 48 0.510 5.191 -2.890 1.00 0.00 H new ATOM 0 HA THR A 48 -1.199 7.410 -2.336 1.00 0.00 H new ATOM 0 HB THR A 48 0.501 8.448 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.974 8.862 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.254 7.747 -6.368 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.820 6.395 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.882 6.470 -5.871 1.00 0.00 H new ATOM 498 N VAL A 49 -2.906 6.330 -4.108 1.00 0.00 N ATOM 499 CA VAL A 49 -3.962 5.413 -4.634 1.00 0.00 C ATOM 500 C VAL A 49 -3.341 4.232 -5.391 1.00 0.00 C ATOM 501 O VAL A 49 -3.887 3.147 -5.417 1.00 0.00 O ATOM 502 CB VAL A 49 -4.785 6.279 -5.589 1.00 0.00 C ATOM 503 CG1 VAL A 49 -3.843 7.012 -6.544 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.732 5.386 -6.394 1.00 0.00 C ATOM 0 H VAL A 49 -3.162 7.317 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.562 4.984 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.365 7.005 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.426 7.631 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.164 7.644 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.266 6.285 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.320 6.001 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.151 4.663 -6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.400 4.858 -5.714 1.00 0.00 H new ATOM 514 N GLU A 50 -2.204 4.430 -6.003 1.00 0.00 N ATOM 515 CA GLU A 50 -1.551 3.316 -6.751 1.00 0.00 C ATOM 516 C GLU A 50 -1.652 2.008 -5.960 1.00 0.00 C ATOM 517 O GLU A 50 -1.628 0.930 -6.522 1.00 0.00 O ATOM 518 CB GLU A 50 -0.087 3.738 -6.897 1.00 0.00 C ATOM 519 CG GLU A 50 0.456 3.256 -8.244 1.00 0.00 C ATOM 520 CD GLU A 50 0.094 4.266 -9.334 1.00 0.00 C ATOM 521 OE1 GLU A 50 0.191 5.453 -9.071 1.00 0.00 O ATOM 522 OE2 GLU A 50 -0.273 3.836 -10.416 1.00 0.00 O ATOM 0 H GLU A 50 -1.699 5.316 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.025 3.140 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.002 4.822 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.505 3.319 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.538 3.137 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.039 2.279 -8.487 1.00 0.00 H new ATOM 529 N ALA A 51 -1.763 2.097 -4.661 1.00 0.00 N ATOM 530 CA ALA A 51 -1.866 0.863 -3.825 1.00 0.00 C ATOM 531 C ALA A 51 -2.738 -0.189 -4.518 1.00 0.00 C ATOM 532 O ALA A 51 -2.557 -1.377 -4.340 1.00 0.00 O ATOM 533 CB ALA A 51 -2.524 1.326 -2.525 1.00 0.00 C ATOM 0 H ALA A 51 -1.787 2.974 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.893 0.401 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.637 0.476 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.900 2.084 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.505 1.748 -2.744 1.00 0.00 H new ATOM 539 N VAL A 52 -3.685 0.241 -5.307 1.00 0.00 N ATOM 540 CA VAL A 52 -4.570 -0.735 -6.006 1.00 0.00 C ATOM 541 C VAL A 52 -4.437 -0.583 -7.526 1.00 0.00 C ATOM 542 O VAL A 52 -4.060 0.460 -8.023 1.00 0.00 O ATOM 543 CB VAL A 52 -5.986 -0.378 -5.548 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.316 1.053 -5.970 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.987 -1.342 -6.189 1.00 0.00 C ATOM 0 H VAL A 52 -3.884 1.223 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.313 -1.768 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.046 -0.458 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.325 1.305 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.604 1.740 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.255 1.136 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.996 -1.089 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.925 -1.262 -7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.754 -2.363 -5.886 1.00 0.00 H new ATOM 555 N ALA A 53 -4.742 -1.616 -8.264 1.00 0.00 N ATOM 556 CA ALA A 53 -4.635 -1.536 -9.751 1.00 0.00 C ATOM 557 C ALA A 53 -3.172 -1.357 -10.170 1.00 0.00 C ATOM 558 O ALA A 53 -2.264 -1.511 -9.377 1.00 0.00 O ATOM 559 CB ALA A 53 -5.460 -0.310 -10.141 1.00 0.00 C ATOM 0 H ALA A 53 -5.061 -2.514 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.994 -2.442 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.432 -0.182 -11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.492 -0.448 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.045 0.576 -9.660 1.00 0.00 H new ATOM 565 N TYR A 54 -2.938 -1.032 -11.413 1.00 0.00 N ATOM 566 CA TYR A 54 -1.536 -0.843 -11.887 1.00 0.00 C ATOM 567 C TYR A 54 -0.717 -2.115 -11.645 1.00 0.00 C ATOM 568 O TYR A 54 -0.574 -2.948 -12.519 1.00 0.00 O ATOM 569 CB TYR A 54 -0.989 0.317 -11.056 1.00 0.00 C ATOM 570 CG TYR A 54 -1.243 1.615 -11.782 1.00 0.00 C ATOM 571 CD1 TYR A 54 -2.486 2.249 -11.663 1.00 0.00 C ATOM 572 CD2 TYR A 54 -0.239 2.185 -12.575 1.00 0.00 C ATOM 573 CE1 TYR A 54 -2.724 3.454 -12.339 1.00 0.00 C ATOM 574 CE2 TYR A 54 -0.477 3.389 -13.250 1.00 0.00 C ATOM 575 CZ TYR A 54 -1.720 4.024 -13.131 1.00 0.00 C ATOM 576 OH TYR A 54 -1.957 5.209 -13.795 1.00 0.00 O ATOM 0 H TYR A 54 -3.658 -0.889 -12.122 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.487 -0.636 -12.956 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.468 0.335 -10.077 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.080 0.185 -10.886 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.260 1.810 -11.051 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.720 1.696 -12.666 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.683 3.943 -12.249 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.297 3.828 -13.862 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.157 5.468 -14.299 1.00 0.00 H new ATOM 586 N ALA A 55 -0.183 -2.273 -10.466 1.00 0.00 N ATOM 587 CA ALA A 55 0.624 -3.491 -10.169 1.00 0.00 C ATOM 588 C ALA A 55 -0.031 -4.298 -9.045 1.00 0.00 C ATOM 589 O ALA A 55 -0.647 -3.738 -8.160 1.00 0.00 O ATOM 590 CB ALA A 55 1.989 -2.965 -9.722 1.00 0.00 C ATOM 0 H ALA A 55 -0.270 -1.612 -9.694 1.00 0.00 H new ATOM 0 HA ALA A 55 0.704 -4.152 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.642 -3.804 -9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.432 -2.376 -10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.866 -2.340 -8.838 1.00 0.00 H new ATOM 596 N PRO A 56 0.131 -5.591 -9.116 1.00 0.00 N ATOM 597 CA PRO A 56 -0.447 -6.486 -8.084 1.00 0.00 C ATOM 598 C PRO A 56 0.346 -6.369 -6.780 1.00 0.00 C ATOM 599 O PRO A 56 1.550 -6.513 -6.756 1.00 0.00 O ATOM 600 CB PRO A 56 -0.311 -7.877 -8.700 1.00 0.00 C ATOM 601 CG PRO A 56 0.817 -7.764 -9.675 1.00 0.00 C ATOM 602 CD PRO A 56 0.859 -6.333 -10.149 1.00 0.00 C ATOM 0 HA PRO A 56 -1.479 -6.247 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.099 -8.627 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.233 -8.180 -9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.761 -8.041 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.668 -8.443 -10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.884 -5.976 -10.248 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.387 -6.223 -11.126 1.00 0.00 H new ATOM 610 N LYS A 57 -0.330 -6.088 -5.700 1.00 0.00 N ATOM 611 CA LYS A 57 0.361 -5.938 -4.386 1.00 0.00 C ATOM 612 C LYS A 57 1.489 -6.960 -4.228 1.00 0.00 C ATOM 613 O LYS A 57 2.451 -6.718 -3.534 1.00 0.00 O ATOM 614 CB LYS A 57 -0.725 -6.186 -3.342 1.00 0.00 C ATOM 615 CG LYS A 57 -1.509 -4.896 -3.105 1.00 0.00 C ATOM 616 CD LYS A 57 -2.451 -5.077 -1.913 1.00 0.00 C ATOM 617 CE LYS A 57 -3.224 -6.389 -2.060 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.541 -6.131 -1.414 1.00 0.00 N ATOM 0 H LYS A 57 -1.341 -5.955 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 57 0.823 -4.956 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.396 -6.975 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.276 -6.528 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.822 -4.071 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.080 -4.637 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.881 -5.082 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.146 -4.239 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.345 -6.661 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.700 -7.213 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.084 -7.017 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.390 -5.766 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.069 -5.430 -1.971 1.00 0.00 H new ATOM 632 N LYS A 58 1.378 -8.102 -4.849 1.00 0.00 N ATOM 633 CA LYS A 58 2.450 -9.138 -4.707 1.00 0.00 C ATOM 634 C LYS A 58 3.642 -8.831 -5.622 1.00 0.00 C ATOM 635 O LYS A 58 4.739 -9.309 -5.412 1.00 0.00 O ATOM 636 CB LYS A 58 1.780 -10.447 -5.124 1.00 0.00 C ATOM 637 CG LYS A 58 1.523 -11.307 -3.885 1.00 0.00 C ATOM 638 CD LYS A 58 0.304 -10.764 -3.134 1.00 0.00 C ATOM 639 CE LYS A 58 -0.914 -10.787 -4.059 1.00 0.00 C ATOM 640 NZ LYS A 58 -2.083 -10.600 -3.155 1.00 0.00 N ATOM 0 H LYS A 58 0.595 -8.366 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 58 2.847 -9.175 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.841 -10.240 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.415 -10.985 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.352 -12.343 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.398 -11.299 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.112 -11.367 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.496 -9.747 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.860 -9.993 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.981 -11.730 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.959 -10.604 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.112 -11.374 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.995 -9.691 -2.657 1.00 0.00 H new ATOM 654 N GLU A 59 3.444 -8.035 -6.627 1.00 0.00 N ATOM 655 CA GLU A 59 4.573 -7.705 -7.548 1.00 0.00 C ATOM 656 C GLU A 59 5.393 -6.566 -6.961 1.00 0.00 C ATOM 657 O GLU A 59 6.609 -6.580 -6.994 1.00 0.00 O ATOM 658 CB GLU A 59 3.921 -7.287 -8.867 1.00 0.00 C ATOM 659 CG GLU A 59 4.944 -6.562 -9.744 1.00 0.00 C ATOM 660 CD GLU A 59 4.535 -6.689 -11.213 1.00 0.00 C ATOM 661 OE1 GLU A 59 3.471 -7.228 -11.468 1.00 0.00 O ATOM 662 OE2 GLU A 59 5.293 -6.242 -12.059 1.00 0.00 O ATOM 0 H GLU A 59 2.553 -7.596 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 59 5.249 -8.547 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.538 -8.165 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.069 -6.636 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.002 -5.511 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.936 -6.988 -9.593 1.00 0.00 H new ATOM 669 N LEU A 60 4.743 -5.596 -6.399 1.00 0.00 N ATOM 670 CA LEU A 60 5.480 -4.484 -5.779 1.00 0.00 C ATOM 671 C LEU A 60 6.191 -5.039 -4.545 1.00 0.00 C ATOM 672 O LEU A 60 7.399 -5.089 -4.500 1.00 0.00 O ATOM 673 CB LEU A 60 4.383 -3.452 -5.457 1.00 0.00 C ATOM 674 CG LEU A 60 4.548 -2.869 -4.055 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.984 -2.385 -3.863 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.588 -1.690 -3.890 1.00 0.00 C ATOM 0 H LEU A 60 3.727 -5.529 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 60 6.252 -4.021 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.414 -2.647 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.404 -3.924 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 60 4.326 -3.635 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.097 -1.970 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.670 -3.223 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.211 -1.617 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.699 -1.267 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.817 -0.927 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.563 -2.034 -4.027 1.00 0.00 H new ATOM 688 N ILE A 61 5.462 -5.485 -3.560 1.00 0.00 N ATOM 689 CA ILE A 61 6.132 -6.062 -2.359 1.00 0.00 C ATOM 690 C ILE A 61 7.240 -6.992 -2.820 1.00 0.00 C ATOM 691 O ILE A 61 8.233 -7.182 -2.147 1.00 0.00 O ATOM 692 CB ILE A 61 5.051 -6.845 -1.647 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.493 -7.888 -2.621 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.954 -5.878 -1.202 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.415 -9.114 -2.634 1.00 0.00 C ATOM 0 H ILE A 61 4.442 -5.476 -3.533 1.00 0.00 H new ATOM 0 HA ILE A 61 6.574 -5.306 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 61 5.447 -7.352 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.486 -8.179 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.418 -7.464 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.168 -6.431 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.377 -5.134 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.534 -5.378 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.021 -9.858 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.414 -8.815 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.467 -9.541 -1.633 1.00 0.00 H new ATOM 707 N ASN A 62 7.085 -7.561 -3.987 1.00 0.00 N ATOM 708 CA ASN A 62 8.141 -8.457 -4.509 1.00 0.00 C ATOM 709 C ASN A 62 9.491 -7.752 -4.402 1.00 0.00 C ATOM 710 O ASN A 62 10.525 -8.383 -4.466 1.00 0.00 O ATOM 711 CB ASN A 62 7.771 -8.708 -5.971 1.00 0.00 C ATOM 712 CG ASN A 62 8.028 -10.178 -6.320 1.00 0.00 C ATOM 713 OD1 ASN A 62 7.115 -10.979 -6.333 1.00 0.00 O ATOM 714 ND2 ASN A 62 9.241 -10.566 -6.605 1.00 0.00 N ATOM 0 H ASN A 62 6.274 -7.441 -4.594 1.00 0.00 H new ATOM 0 HA ASN A 62 8.215 -9.393 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.723 -8.462 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.359 -8.061 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.423 -11.542 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.007 -9.893 -6.594 1.00 0.00 H new ATOM 721 N ILE A 63 9.494 -6.444 -4.234 1.00 0.00 N ATOM 722 CA ILE A 63 10.782 -5.715 -4.111 1.00 0.00 C ATOM 723 C ILE A 63 11.676 -6.385 -3.061 1.00 0.00 C ATOM 724 O ILE A 63 12.206 -7.455 -3.278 1.00 0.00 O ATOM 725 CB ILE A 63 10.379 -4.297 -3.701 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.314 -4.334 -2.579 1.00 0.00 C ATOM 727 CG2 ILE A 63 9.831 -3.567 -4.930 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.667 -2.959 -2.437 1.00 0.00 C ATOM 0 H ILE A 63 8.658 -5.862 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 63 11.363 -5.714 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 63 11.251 -3.769 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.555 -5.081 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.775 -4.628 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.540 -2.554 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.600 -3.524 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.962 -4.102 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.918 -2.989 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.430 -2.222 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.191 -2.682 -3.377 1.00 0.00 H new ATOM 740 N LYS A 64 11.855 -5.777 -1.929 1.00 0.00 N ATOM 741 CA LYS A 64 12.712 -6.413 -0.890 1.00 0.00 C ATOM 742 C LYS A 64 12.311 -7.881 -0.745 1.00 0.00 C ATOM 743 O LYS A 64 13.100 -8.718 -0.357 1.00 0.00 O ATOM 744 CB LYS A 64 12.433 -5.644 0.402 1.00 0.00 C ATOM 745 CG LYS A 64 13.675 -5.691 1.298 1.00 0.00 C ATOM 746 CD LYS A 64 13.250 -5.863 2.758 1.00 0.00 C ATOM 747 CE LYS A 64 13.284 -7.348 3.130 1.00 0.00 C ATOM 748 NZ LYS A 64 12.049 -7.572 3.931 1.00 0.00 N ATOM 0 H LYS A 64 11.451 -4.875 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 64 13.772 -6.381 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.174 -4.610 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.579 -6.080 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.321 -6.516 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.253 -4.774 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.916 -5.299 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.247 -5.464 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.297 -7.978 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.177 -7.591 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.001 -8.569 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.067 -6.964 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.215 -7.339 3.355 1.00 0.00 H new ATOM 762 N GLY A 65 11.086 -8.197 -1.077 1.00 0.00 N ATOM 763 CA GLY A 65 10.628 -9.610 -0.984 1.00 0.00 C ATOM 764 C GLY A 65 9.455 -9.735 -0.008 1.00 0.00 C ATOM 765 O GLY A 65 9.297 -10.748 0.644 1.00 0.00 O ATOM 0 H GLY A 65 10.384 -7.535 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.327 -9.966 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.451 -10.244 -0.654 1.00 0.00 H new ATOM 769 N ILE A 66 8.626 -8.729 0.109 1.00 0.00 N ATOM 770 CA ILE A 66 7.484 -8.844 1.055 1.00 0.00 C ATOM 771 C ILE A 66 6.254 -9.450 0.363 1.00 0.00 C ATOM 772 O ILE A 66 6.358 -10.347 -0.448 1.00 0.00 O ATOM 773 CB ILE A 66 7.149 -7.429 1.538 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.372 -6.504 1.458 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.673 -7.536 2.983 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.258 -5.401 2.509 1.00 0.00 C ATOM 0 H ILE A 66 8.691 -7.848 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 66 7.755 -9.496 1.885 1.00 0.00 H new ATOM 0 HB ILE A 66 6.376 -6.999 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.285 -7.078 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.442 -6.065 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.425 -6.543 3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.789 -8.172 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.464 -7.969 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.129 -4.748 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.354 -4.819 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.210 -5.848 3.502 1.00 0.00 H new ATOM 788 N SER A 67 5.091 -8.953 0.701 1.00 0.00 N ATOM 789 CA SER A 67 3.820 -9.464 0.103 1.00 0.00 C ATOM 790 C SER A 67 2.659 -8.716 0.753 1.00 0.00 C ATOM 791 O SER A 67 2.726 -7.518 0.967 1.00 0.00 O ATOM 792 CB SER A 67 3.769 -10.951 0.462 1.00 0.00 C ATOM 793 OG SER A 67 3.529 -11.088 1.857 1.00 0.00 O ATOM 0 H SER A 67 4.967 -8.201 1.379 1.00 0.00 H new ATOM 0 HA SER A 67 3.763 -9.322 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.981 -11.447 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.708 -11.435 0.193 1.00 0.00 H new ATOM 0 HG SER A 67 3.494 -12.039 2.091 1.00 0.00 H new ATOM 799 N GLU A 68 1.614 -9.403 1.113 1.00 0.00 N ATOM 800 CA GLU A 68 0.496 -8.709 1.794 1.00 0.00 C ATOM 801 C GLU A 68 1.050 -8.057 3.064 1.00 0.00 C ATOM 802 O GLU A 68 0.446 -7.182 3.649 1.00 0.00 O ATOM 803 CB GLU A 68 -0.514 -9.807 2.135 1.00 0.00 C ATOM 804 CG GLU A 68 -1.641 -9.810 1.099 1.00 0.00 C ATOM 805 CD GLU A 68 -1.849 -11.231 0.571 1.00 0.00 C ATOM 806 OE1 GLU A 68 -0.899 -11.995 0.591 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.956 -11.531 0.153 1.00 0.00 O ATOM 0 H GLU A 68 1.488 -10.404 0.966 1.00 0.00 H new ATOM 0 HA GLU A 68 0.030 -7.932 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.019 -10.778 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.923 -9.641 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.562 -9.440 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.395 -9.138 0.277 1.00 0.00 H new ATOM 814 N ALA A 69 2.213 -8.491 3.487 1.00 0.00 N ATOM 815 CA ALA A 69 2.838 -7.924 4.712 1.00 0.00 C ATOM 816 C ALA A 69 2.679 -6.403 4.750 1.00 0.00 C ATOM 817 O ALA A 69 1.837 -5.877 5.452 1.00 0.00 O ATOM 818 CB ALA A 69 4.312 -8.314 4.615 1.00 0.00 C ATOM 0 H ALA A 69 2.757 -9.221 3.028 1.00 0.00 H new ATOM 0 HA ALA A 69 2.373 -8.302 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.847 -7.932 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.400 -9.400 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.742 -7.888 3.708 1.00 0.00 H new ATOM 824 N LYS A 70 3.477 -5.686 4.006 1.00 0.00 N ATOM 825 CA LYS A 70 3.353 -4.203 4.021 1.00 0.00 C ATOM 826 C LYS A 70 2.250 -3.749 3.062 1.00 0.00 C ATOM 827 O LYS A 70 1.468 -2.876 3.376 1.00 0.00 O ATOM 828 CB LYS A 70 4.724 -3.673 3.577 1.00 0.00 C ATOM 829 CG LYS A 70 4.928 -3.935 2.084 1.00 0.00 C ATOM 830 CD LYS A 70 6.236 -3.291 1.621 1.00 0.00 C ATOM 831 CE LYS A 70 6.648 -3.896 0.279 1.00 0.00 C ATOM 832 NZ LYS A 70 5.757 -3.235 -0.711 1.00 0.00 N ATOM 0 H LYS A 70 4.203 -6.060 3.394 1.00 0.00 H new ATOM 0 HA LYS A 70 3.081 -3.825 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.793 -2.604 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.514 -4.158 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.952 -5.008 1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.091 -3.529 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.110 -2.213 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.018 -3.455 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.698 -3.702 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.516 -4.978 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.888 -3.675 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.766 -3.343 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.993 -2.224 -0.770 1.00 0.00 H new ATOM 846 N ALA A 71 2.177 -4.325 1.892 1.00 0.00 N ATOM 847 CA ALA A 71 1.115 -3.893 0.935 1.00 0.00 C ATOM 848 C ALA A 71 -0.264 -4.013 1.574 1.00 0.00 C ATOM 849 O ALA A 71 -0.968 -3.037 1.744 1.00 0.00 O ATOM 850 CB ALA A 71 1.226 -4.847 -0.251 1.00 0.00 C ATOM 0 H ALA A 71 2.796 -5.065 1.560 1.00 0.00 H new ATOM 0 HA ALA A 71 1.242 -2.852 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.474 -4.589 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.219 -4.764 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.064 -5.870 0.089 1.00 0.00 H new ATOM 856 N ASP A 72 -0.658 -5.200 1.919 1.00 0.00 N ATOM 857 CA ASP A 72 -2.002 -5.385 2.539 1.00 0.00 C ATOM 858 C ASP A 72 -2.136 -4.512 3.787 1.00 0.00 C ATOM 859 O ASP A 72 -3.109 -3.802 3.952 1.00 0.00 O ATOM 860 CB ASP A 72 -2.088 -6.867 2.903 1.00 0.00 C ATOM 861 CG ASP A 72 -3.558 -7.290 2.921 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.404 -6.411 2.931 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.813 -8.483 2.921 1.00 0.00 O ATOM 0 H ASP A 72 -0.112 -6.053 1.801 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.805 -5.094 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.533 -7.465 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.634 -7.042 3.878 1.00 0.00 H new ATOM 868 N LYS A 73 -1.172 -4.556 4.668 1.00 0.00 N ATOM 869 CA LYS A 73 -1.258 -3.720 5.899 1.00 0.00 C ATOM 870 C LYS A 73 -1.780 -2.323 5.554 1.00 0.00 C ATOM 871 O LYS A 73 -2.436 -1.682 6.350 1.00 0.00 O ATOM 872 CB LYS A 73 0.172 -3.639 6.432 1.00 0.00 C ATOM 873 CG LYS A 73 0.242 -2.597 7.549 1.00 0.00 C ATOM 874 CD LYS A 73 -0.836 -2.895 8.595 1.00 0.00 C ATOM 875 CE LYS A 73 -0.949 -1.718 9.568 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.373 -2.218 10.848 1.00 0.00 N ATOM 0 H LYS A 73 -0.334 -5.131 4.589 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.941 -4.144 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.487 -4.612 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.857 -3.371 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.228 -2.612 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.098 -1.598 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.794 -3.068 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.587 -3.806 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.402 -0.849 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.987 -1.410 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.142 -2.429 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.176 -3.083 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.250 -1.492 11.255 1.00 0.00 H new ATOM 890 N ILE A 74 -1.498 -1.842 4.371 1.00 0.00 N ATOM 891 CA ILE A 74 -1.992 -0.487 3.996 1.00 0.00 C ATOM 892 C ILE A 74 -3.445 -0.570 3.516 1.00 0.00 C ATOM 893 O ILE A 74 -4.330 0.026 4.093 1.00 0.00 O ATOM 894 CB ILE A 74 -1.046 -0.014 2.881 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.039 0.876 3.491 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.810 0.789 1.823 1.00 0.00 C ATOM 897 CD1 ILE A 74 1.125 1.129 2.450 1.00 0.00 C ATOM 0 H ILE A 74 -0.953 -2.324 3.656 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.991 0.211 4.833 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.602 -0.889 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.392 1.821 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.467 0.396 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.120 1.113 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.587 0.164 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.267 1.662 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.901 1.763 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.562 0.179 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.689 1.626 1.583 1.00 0.00 H new ATOM 909 N LEU A 75 -3.696 -1.303 2.466 1.00 0.00 N ATOM 910 CA LEU A 75 -5.092 -1.418 1.958 1.00 0.00 C ATOM 911 C LEU A 75 -6.065 -1.576 3.130 1.00 0.00 C ATOM 912 O LEU A 75 -7.216 -1.196 3.049 1.00 0.00 O ATOM 913 CB LEU A 75 -5.098 -2.670 1.082 1.00 0.00 C ATOM 914 CG LEU A 75 -5.842 -2.378 -0.225 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.906 -1.671 -1.206 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.321 -3.694 -0.842 1.00 0.00 C ATOM 0 H LEU A 75 -2.997 -1.826 1.939 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.403 -0.534 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.076 -2.982 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.579 -3.493 1.610 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.698 -1.736 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.440 -1.465 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.562 -0.733 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.048 -2.310 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.851 -3.488 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.462 -4.333 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.992 -4.199 -0.147 1.00 0.00 H new ATOM 928 N ALA A 76 -5.609 -2.127 4.220 1.00 0.00 N ATOM 929 CA ALA A 76 -6.507 -2.299 5.397 1.00 0.00 C ATOM 930 C ALA A 76 -6.598 -0.985 6.174 1.00 0.00 C ATOM 931 O ALA A 76 -7.668 -0.446 6.378 1.00 0.00 O ATOM 932 CB ALA A 76 -5.850 -3.384 6.249 1.00 0.00 C ATOM 0 H ALA A 76 -4.655 -2.465 4.347 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.521 -2.575 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.456 -3.566 7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.770 -4.303 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.855 -3.057 6.550 1.00 0.00 H new ATOM 938 N GLU A 77 -5.483 -0.461 6.605 1.00 0.00 N ATOM 939 CA GLU A 77 -5.507 0.824 7.363 1.00 0.00 C ATOM 940 C GLU A 77 -5.891 1.975 6.436 1.00 0.00 C ATOM 941 O GLU A 77 -6.456 2.964 6.858 1.00 0.00 O ATOM 942 CB GLU A 77 -4.082 1.020 7.884 1.00 0.00 C ATOM 943 CG GLU A 77 -3.104 1.098 6.713 1.00 0.00 C ATOM 944 CD GLU A 77 -1.672 1.021 7.246 1.00 0.00 C ATOM 945 OE1 GLU A 77 -1.416 1.608 8.285 1.00 0.00 O ATOM 946 OE2 GLU A 77 -0.853 0.377 6.610 1.00 0.00 O ATOM 0 H GLU A 77 -4.557 -0.866 6.466 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.235 0.802 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.025 1.933 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.810 0.195 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.289 0.282 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.250 2.028 6.163 1.00 0.00 H new ATOM 953 N ALA A 78 -5.587 1.855 5.176 1.00 0.00 N ATOM 954 CA ALA A 78 -5.931 2.941 4.221 1.00 0.00 C ATOM 955 C ALA A 78 -7.428 2.911 3.908 1.00 0.00 C ATOM 956 O ALA A 78 -8.055 3.937 3.730 1.00 0.00 O ATOM 957 CB ALA A 78 -5.101 2.633 2.977 1.00 0.00 C ATOM 0 H ALA A 78 -5.114 1.050 4.766 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.718 3.935 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.293 3.388 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.042 2.639 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.374 1.651 2.591 1.00 0.00 H new ATOM 963 N ALA A 79 -8.010 1.744 3.850 1.00 0.00 N ATOM 964 CA ALA A 79 -9.470 1.654 3.558 1.00 0.00 C ATOM 965 C ALA A 79 -10.271 2.003 4.817 1.00 0.00 C ATOM 966 O ALA A 79 -11.450 2.292 4.757 1.00 0.00 O ATOM 967 CB ALA A 79 -9.709 0.200 3.149 1.00 0.00 C ATOM 0 H ALA A 79 -7.539 0.850 3.992 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.783 2.345 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.764 0.056 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.110 -0.034 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.423 -0.460 3.968 1.00 0.00 H new ATOM 973 N LYS A 80 -9.633 1.980 5.957 1.00 0.00 N ATOM 974 CA LYS A 80 -10.351 2.313 7.221 1.00 0.00 C ATOM 975 C LYS A 80 -9.955 3.713 7.699 1.00 0.00 C ATOM 976 O LYS A 80 -10.451 4.205 8.691 1.00 0.00 O ATOM 977 CB LYS A 80 -9.894 1.256 8.227 1.00 0.00 C ATOM 978 CG LYS A 80 -10.598 -0.070 7.935 1.00 0.00 C ATOM 979 CD LYS A 80 -11.359 -0.529 9.181 1.00 0.00 C ATOM 980 CE LYS A 80 -10.600 -1.681 9.844 1.00 0.00 C ATOM 981 NZ LYS A 80 -11.178 -1.783 11.214 1.00 0.00 N ATOM 0 H LYS A 80 -8.647 1.745 6.067 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.434 2.313 7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.813 1.126 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.120 1.584 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.287 0.048 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.868 -0.825 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.467 0.300 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.364 -0.850 8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.730 -2.611 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.529 -1.479 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.708 -2.552 11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.033 -0.886 11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.197 -1.982 11.147 1.00 0.00 H new ATOM 995 N LEU A 81 -9.059 4.357 6.999 1.00 0.00 N ATOM 996 CA LEU A 81 -8.629 5.723 7.416 1.00 0.00 C ATOM 997 C LEU A 81 -9.111 6.766 6.404 1.00 0.00 C ATOM 998 O LEU A 81 -9.719 7.756 6.761 1.00 0.00 O ATOM 999 CB LEU A 81 -7.101 5.666 7.442 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.547 7.038 7.829 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.434 7.135 9.352 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.161 7.226 7.205 1.00 0.00 C ATOM 0 H LEU A 81 -8.607 3.997 6.158 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.044 6.008 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.766 4.912 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.721 5.371 6.464 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.220 7.814 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.039 8.113 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.419 7.003 9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.763 6.358 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.767 8.204 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.490 6.448 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.239 7.160 6.120 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.846 6.554 5.145 1.00 0.00 N ATOM 1015 CA VAL A 82 -9.290 7.532 4.111 1.00 0.00 C ATOM 1016 C VAL A 82 -10.248 6.858 3.124 1.00 0.00 C ATOM 1017 O VAL A 82 -9.907 6.637 1.979 1.00 0.00 O ATOM 1018 CB VAL A 82 -8.007 7.962 3.399 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -8.278 9.217 2.564 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.921 8.267 4.434 1.00 0.00 C ATOM 0 H VAL A 82 -8.340 5.744 4.786 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.822 8.379 4.544 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.672 7.156 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.362 9.522 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.048 9.002 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.617 10.022 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.008 8.573 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.258 9.071 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.723 7.374 5.028 1.00 0.00 H new ATOM 1030 N PRO A 83 -11.420 6.549 3.608 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.440 5.887 2.762 1.00 0.00 C ATOM 1032 C PRO A 83 -13.076 6.895 1.798 1.00 0.00 C ATOM 1033 O PRO A 83 -13.006 6.748 0.595 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.468 5.381 3.769 1.00 0.00 C ATOM 1035 CG PRO A 83 -13.319 6.271 4.964 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.899 6.780 4.975 1.00 0.00 C ATOM 0 HA PRO A 83 -12.028 5.091 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.478 5.435 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.284 4.339 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.024 7.101 4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.537 5.722 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.857 7.837 5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.291 6.246 5.705 1.00 0.00 H new ATOM 1044 N MET A 84 -13.699 7.913 2.323 1.00 0.00 N ATOM 1045 CA MET A 84 -14.346 8.929 1.445 1.00 0.00 C ATOM 1046 C MET A 84 -13.321 9.968 0.979 1.00 0.00 C ATOM 1047 O MET A 84 -13.585 10.759 0.095 1.00 0.00 O ATOM 1048 CB MET A 84 -15.411 9.582 2.326 1.00 0.00 C ATOM 1049 CG MET A 84 -16.653 9.882 1.487 1.00 0.00 C ATOM 1050 SD MET A 84 -17.628 8.370 1.293 1.00 0.00 S ATOM 1051 CE MET A 84 -18.932 8.786 2.476 1.00 0.00 C ATOM 0 H MET A 84 -13.788 8.086 3.324 1.00 0.00 H new ATOM 0 HA MET A 84 -14.771 8.486 0.544 1.00 0.00 H new ATOM 0 HB2 MET A 84 -15.669 8.921 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 84 -15.023 10.502 2.762 1.00 0.00 H new ATOM 0 HG2 MET A 84 -17.252 10.655 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 84 -16.361 10.267 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 84 -19.658 7.974 2.517 1.00 0.00 H new ATOM 0 HE2 MET A 84 -18.494 8.932 3.464 1.00 0.00 H new ATOM 0 HE3 MET A 84 -19.430 9.703 2.161 1.00 0.00 H new ATOM 1061 N GLY A 85 -12.157 9.973 1.566 1.00 0.00 N ATOM 1062 CA GLY A 85 -11.122 10.963 1.153 1.00 0.00 C ATOM 1063 C GLY A 85 -11.436 12.321 1.782 1.00 0.00 C ATOM 1064 O GLY A 85 -12.476 12.436 2.408 1.00 0.00 O ATOM 0 H GLY A 85 -11.877 9.336 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.134 10.625 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.099 11.050 0.067 1.00 0.00 H new TER 1068 GLY A 85