USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 604 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 65 ASN : amide:sc= 0.376 K(o=1.4,f=0.029) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 160:sc= 0.994 (180deg=1.17) USER MOD Single : A 7 SER OG : rot -29:sc= 0.155 USER MOD Single : A 11 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.034) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -160:sc= 0 (180deg=-0.156) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 TYR OH : rot 47:sc= 1.12 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.0333 F(o=-0.68,f=-0.033) USER MOD Single : A 35 THR OG1 : rot -154:sc= -1.58! USER MOD Single : A 40 MET CE :methyl -171:sc= -1 (180deg=-1.17) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 5:sc= 1.02 USER MOD Single : A 47 THR OG1 : rot 108:sc= 0.814 USER MOD Single : A 49 THR OG1 : rot -63:sc= 1.3 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.01) USER MOD Single : A 64 GLN : amide:sc= -5.39! C(o=-5.4!,f=-9.9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc=-0.00591 (180deg=-0.135) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -2.816 -2.617 12.683 1.00 0.00 N ATOM 2 CA SER A 7 -2.116 -1.494 13.270 1.00 0.00 C ATOM 3 C SER A 7 -3.061 -0.671 14.142 1.00 0.00 C ATOM 4 O SER A 7 -2.826 -0.505 15.349 1.00 0.00 O ATOM 5 CB SER A 7 -1.484 -0.650 12.160 1.00 0.00 C ATOM 6 OG SER A 7 -2.452 -0.312 11.174 1.00 0.00 O ATOM 0 HA SER A 7 -1.318 -1.858 13.917 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.058 0.259 12.585 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.665 -1.201 11.699 1.00 0.00 H new ATOM 0 HG SER A 7 -3.135 -1.014 11.132 1.00 0.00 H new ATOM 12 N GLY A 8 -4.123 -0.158 13.544 1.00 0.00 N ATOM 13 CA GLY A 8 -5.100 0.593 14.300 1.00 0.00 C ATOM 14 C GLY A 8 -6.106 1.287 13.411 1.00 0.00 C ATOM 15 O GLY A 8 -6.882 2.127 13.874 1.00 0.00 O ATOM 0 H GLY A 8 -4.326 -0.248 12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.623 -0.078 14.981 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.589 1.335 14.914 1.00 0.00 H new ATOM 19 N ARG A 9 -6.108 0.934 12.145 1.00 0.00 N ATOM 20 CA ARG A 9 -6.996 1.512 11.205 1.00 0.00 C ATOM 21 C ARG A 9 -7.883 0.450 10.588 1.00 0.00 C ATOM 22 O ARG A 9 -7.538 -0.205 9.608 1.00 0.00 O ATOM 23 CB ARG A 9 -6.254 2.322 10.163 1.00 0.00 C ATOM 24 CG ARG A 9 -5.187 1.575 9.418 1.00 0.00 C ATOM 25 CD ARG A 9 -4.663 2.405 8.297 1.00 0.00 C ATOM 26 NE ARG A 9 -3.911 3.571 8.767 1.00 0.00 N ATOM 27 CZ ARG A 9 -3.516 4.590 8.003 1.00 0.00 C ATOM 28 NH1 ARG A 9 -3.913 4.673 6.731 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -2.757 5.545 8.524 1.00 0.00 N ATOM 0 H ARG A 9 -5.482 0.231 11.752 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.644 2.212 11.732 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.976 2.708 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.799 3.184 10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.375 1.314 10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.591 0.640 9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.020 1.792 7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.495 2.739 7.677 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.670 3.606 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.522 3.955 6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.608 5.455 6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.479 5.497 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.452 6.327 7.944 1.00 0.00 H new ATOM 43 N GLU A 10 -8.961 0.196 11.248 1.00 0.00 N ATOM 44 CA GLU A 10 -9.935 -0.732 10.798 1.00 0.00 C ATOM 45 C GLU A 10 -11.278 -0.055 10.778 1.00 0.00 C ATOM 46 O GLU A 10 -12.046 -0.121 11.750 1.00 0.00 O ATOM 47 CB GLU A 10 -9.957 -1.955 11.690 1.00 0.00 C ATOM 48 CG GLU A 10 -8.674 -2.760 11.655 1.00 0.00 C ATOM 49 CD GLU A 10 -8.698 -3.935 12.581 1.00 0.00 C ATOM 50 OE1 GLU A 10 -9.321 -4.960 12.248 1.00 0.00 O ATOM 51 OE2 GLU A 10 -8.051 -3.874 13.639 1.00 0.00 O1- ATOM 0 H GLU A 10 -9.193 0.640 12.137 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.686 -1.066 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.151 -1.642 12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.786 -2.597 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.498 -3.109 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.838 -2.113 11.919 1.00 0.00 H new ATOM 58 N ASN A 11 -11.516 0.661 9.718 1.00 0.00 N ATOM 59 CA ASN A 11 -12.726 1.411 9.533 1.00 0.00 C ATOM 60 C ASN A 11 -12.911 1.693 8.060 1.00 0.00 C ATOM 61 O ASN A 11 -12.112 2.385 7.425 1.00 0.00 O ATOM 62 CB ASN A 11 -12.770 2.724 10.398 1.00 0.00 C ATOM 63 CG ASN A 11 -11.674 3.757 10.099 1.00 0.00 C ATOM 64 OD1 ASN A 11 -11.845 4.655 9.257 1.00 0.00 O ATOM 65 ND2 ASN A 11 -10.568 3.677 10.806 1.00 0.00 N ATOM 0 H ASN A 11 -10.861 0.742 8.941 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.562 0.809 9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.740 3.199 10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.704 2.446 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.825 4.362 10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.453 2.930 11.491 1.00 0.00 H new ATOM 72 N LEU A 12 -13.885 1.059 7.503 1.00 0.00 N ATOM 73 CA LEU A 12 -14.227 1.250 6.123 1.00 0.00 C ATOM 74 C LEU A 12 -15.419 2.173 6.034 1.00 0.00 C ATOM 75 O LEU A 12 -16.551 1.778 6.357 1.00 0.00 O ATOM 76 CB LEU A 12 -14.500 -0.086 5.389 1.00 0.00 C ATOM 77 CG LEU A 12 -13.285 -1.003 5.093 1.00 0.00 C ATOM 78 CD1 LEU A 12 -12.672 -1.592 6.358 1.00 0.00 C ATOM 79 CD2 LEU A 12 -13.677 -2.107 4.126 1.00 0.00 C ATOM 0 H LEU A 12 -14.476 0.386 7.991 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.373 1.702 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.214 -0.656 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.986 0.145 4.441 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.520 -0.378 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.826 -2.225 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.331 -0.785 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.420 -2.187 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.813 -2.742 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.476 -2.707 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.024 -1.666 3.192 1.00 0.00 H new ATOM 91 N TYR A 13 -15.148 3.398 5.639 1.00 0.00 N ATOM 92 CA TYR A 13 -16.144 4.458 5.523 1.00 0.00 C ATOM 93 C TYR A 13 -17.316 4.008 4.651 1.00 0.00 C ATOM 94 O TYR A 13 -17.123 3.441 3.571 1.00 0.00 O ATOM 95 CB TYR A 13 -15.474 5.711 4.947 1.00 0.00 C ATOM 96 CG TYR A 13 -16.352 6.941 4.889 1.00 0.00 C ATOM 97 CD1 TYR A 13 -16.768 7.565 6.054 1.00 0.00 C ATOM 98 CD2 TYR A 13 -16.753 7.484 3.675 1.00 0.00 C ATOM 99 CE1 TYR A 13 -17.557 8.690 6.015 1.00 0.00 C ATOM 100 CE2 TYR A 13 -17.541 8.617 3.630 1.00 0.00 C ATOM 101 CZ TYR A 13 -17.940 9.213 4.803 1.00 0.00 C ATOM 102 OH TYR A 13 -18.721 10.348 4.767 1.00 0.00 O ATOM 0 H TYR A 13 -14.208 3.699 5.382 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.546 4.690 6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.593 5.941 5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.124 5.486 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.467 7.161 7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.444 7.013 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.875 9.161 6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.842 9.032 2.680 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.904 10.590 3.835 1.00 0.00 H new ATOM 112 N PHE A 14 -18.517 4.228 5.129 1.00 0.00 N ATOM 113 CA PHE A 14 -19.693 3.791 4.418 1.00 0.00 C ATOM 114 C PHE A 14 -20.108 4.822 3.401 1.00 0.00 C ATOM 115 O PHE A 14 -20.792 5.790 3.728 1.00 0.00 O ATOM 116 CB PHE A 14 -20.835 3.451 5.376 1.00 0.00 C ATOM 117 CG PHE A 14 -20.481 2.364 6.347 1.00 0.00 C ATOM 118 CD1 PHE A 14 -20.441 1.047 5.935 1.00 0.00 C ATOM 119 CD2 PHE A 14 -20.170 2.661 7.664 1.00 0.00 C ATOM 120 CE1 PHE A 14 -20.101 0.044 6.813 1.00 0.00 C ATOM 121 CE2 PHE A 14 -19.829 1.660 8.549 1.00 0.00 C ATOM 122 CZ PHE A 14 -19.795 0.349 8.124 1.00 0.00 C ATOM 0 H PHE A 14 -18.705 4.708 6.009 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.445 2.873 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.117 4.347 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.707 3.145 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -20.680 0.801 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.195 3.687 8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.073 -0.982 6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.589 1.903 9.574 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.530 -0.437 8.815 1.00 0.00 H new ATOM 132 N GLN A 15 -19.636 4.604 2.188 1.00 0.00 N ATOM 133 CA GLN A 15 -19.835 5.448 0.998 1.00 0.00 C ATOM 134 C GLN A 15 -18.817 5.049 -0.016 1.00 0.00 C ATOM 135 O GLN A 15 -19.030 5.067 -1.224 1.00 0.00 O ATOM 136 CB GLN A 15 -19.699 6.943 1.286 1.00 0.00 C ATOM 137 CG GLN A 15 -19.912 7.831 0.069 1.00 0.00 C ATOM 138 CD GLN A 15 -19.678 9.287 0.361 1.00 0.00 C ATOM 139 OE1 GLN A 15 -20.591 10.023 0.715 1.00 0.00 O ATOM 140 NE2 GLN A 15 -18.459 9.714 0.220 1.00 0.00 N ATOM 0 H GLN A 15 -19.066 3.784 1.982 1.00 0.00 H new ATOM 0 HA GLN A 15 -20.854 5.294 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.419 7.221 2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -18.706 7.135 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -19.241 7.513 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.930 7.698 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.725 9.071 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.236 10.692 0.406 1.00 0.00 H new ATOM 149 N GLY A 16 -17.755 4.692 0.516 1.00 0.00 N ATOM 150 CA GLY A 16 -16.585 4.285 -0.195 1.00 0.00 C ATOM 151 C GLY A 16 -15.387 4.593 0.648 1.00 0.00 C ATOM 152 O GLY A 16 -15.541 5.025 1.784 1.00 0.00 O ATOM 0 H GLY A 16 -17.635 4.662 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -16.628 3.219 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.521 4.807 -1.150 1.00 0.00 H new ATOM 156 N HIS A 17 -14.213 4.386 0.133 1.00 0.00 N ATOM 157 CA HIS A 17 -13.005 4.675 0.895 1.00 0.00 C ATOM 158 C HIS A 17 -12.676 6.150 0.884 1.00 0.00 C ATOM 159 O HIS A 17 -12.046 6.668 1.814 1.00 0.00 O ATOM 160 CB HIS A 17 -11.816 3.829 0.428 1.00 0.00 C ATOM 161 CG HIS A 17 -11.863 2.417 0.930 1.00 0.00 C ATOM 162 ND1 HIS A 17 -10.882 1.855 1.719 1.00 0.00 N ATOM 163 CD2 HIS A 17 -12.806 1.456 0.772 1.00 0.00 C ATOM 164 CE1 HIS A 17 -11.247 0.612 2.014 1.00 0.00 C ATOM 165 NE2 HIS A 17 -12.414 0.315 1.462 1.00 0.00 N ATOM 0 H HIS A 17 -14.051 4.020 -0.805 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.209 4.396 1.929 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.791 3.820 -0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -10.891 4.297 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.717 1.560 0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -10.669 -0.067 2.623 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.920 -0.568 1.529 1.00 0.00 H new ATOM 173 N MET A 18 -13.127 6.826 -0.133 1.00 0.00 N ATOM 174 CA MET A 18 -12.911 8.234 -0.257 1.00 0.00 C ATOM 175 C MET A 18 -14.180 8.929 0.216 1.00 0.00 C ATOM 176 O MET A 18 -15.286 8.433 -0.035 1.00 0.00 O ATOM 177 CB MET A 18 -12.626 8.575 -1.712 1.00 0.00 C ATOM 178 CG MET A 18 -11.982 9.926 -1.905 1.00 0.00 C ATOM 179 SD MET A 18 -10.383 10.037 -1.078 1.00 0.00 S ATOM 180 CE MET A 18 -9.866 11.685 -1.558 1.00 0.00 C ATOM 0 H MET A 18 -13.656 6.413 -0.901 1.00 0.00 H new ATOM 0 HA MET A 18 -12.059 8.559 0.340 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.976 7.809 -2.135 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.560 8.545 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.853 10.117 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.644 10.702 -1.520 1.00 0.00 H new ATOM 0 HE1 MET A 18 -8.786 11.776 -1.440 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.133 11.861 -2.600 1.00 0.00 H new ATOM 0 HE3 MET A 18 -10.364 12.421 -0.926 1.00 0.00 H new ATOM 190 N ALA A 19 -14.055 10.071 0.875 1.00 0.00 N ATOM 191 CA ALA A 19 -15.228 10.751 1.417 1.00 0.00 C ATOM 192 C ALA A 19 -15.925 11.617 0.378 1.00 0.00 C ATOM 193 O ALA A 19 -16.865 12.351 0.675 1.00 0.00 O ATOM 194 CB ALA A 19 -14.899 11.519 2.680 1.00 0.00 C ATOM 0 H ALA A 19 -13.168 10.543 1.047 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.942 9.976 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.798 12.011 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.523 10.831 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.139 12.269 2.462 1.00 0.00 H new ATOM 200 N ALA A 20 -15.509 11.420 -0.834 1.00 0.00 N ATOM 201 CA ALA A 20 -16.017 12.091 -2.028 1.00 0.00 C ATOM 202 C ALA A 20 -15.922 13.616 -1.985 1.00 0.00 C ATOM 203 O ALA A 20 -16.937 14.299 -1.834 1.00 0.00 O ATOM 204 CB ALA A 20 -17.431 11.626 -2.398 1.00 0.00 C ATOM 0 H ALA A 20 -14.766 10.754 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 20 -15.342 11.781 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.765 12.153 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -17.422 10.553 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -18.112 11.841 -1.574 1.00 0.00 H new ATOM 210 N PRO A 21 -14.698 14.179 -2.058 1.00 0.00 N ATOM 211 CA PRO A 21 -14.524 15.619 -2.170 1.00 0.00 C ATOM 212 C PRO A 21 -14.724 16.061 -3.622 1.00 0.00 C ATOM 213 O PRO A 21 -14.945 17.236 -3.908 1.00 0.00 O ATOM 214 CB PRO A 21 -13.073 15.840 -1.738 1.00 0.00 C ATOM 215 CG PRO A 21 -12.375 14.567 -2.068 1.00 0.00 C ATOM 216 CD PRO A 21 -13.399 13.472 -1.977 1.00 0.00 C ATOM 0 HA PRO A 21 -15.235 16.186 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.628 16.683 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.008 16.061 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.944 14.611 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.553 14.386 -1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.286 12.753 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.306 12.917 -1.044 1.00 0.00 H new ATOM 224 N ALA A 22 -14.664 15.093 -4.519 1.00 0.00 N ATOM 225 CA ALA A 22 -14.844 15.303 -5.929 1.00 0.00 C ATOM 226 C ALA A 22 -16.150 14.668 -6.332 1.00 0.00 C ATOM 227 O ALA A 22 -16.466 13.562 -5.883 1.00 0.00 O ATOM 228 CB ALA A 22 -13.693 14.691 -6.706 1.00 0.00 C ATOM 0 H ALA A 22 -14.484 14.120 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.863 16.370 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.844 14.859 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.757 15.155 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.650 13.620 -6.510 1.00 0.00 H new ATOM 234 N ARG A 23 -16.914 15.356 -7.128 1.00 0.00 N ATOM 235 CA ARG A 23 -18.221 14.862 -7.511 1.00 0.00 C ATOM 236 C ARG A 23 -18.302 14.709 -9.020 1.00 0.00 C ATOM 237 O ARG A 23 -19.106 13.928 -9.552 1.00 0.00 O ATOM 238 CB ARG A 23 -19.273 15.832 -7.012 1.00 0.00 C ATOM 239 CG ARG A 23 -20.659 15.245 -6.887 1.00 0.00 C ATOM 240 CD ARG A 23 -21.607 16.249 -6.244 1.00 0.00 C ATOM 241 NE ARG A 23 -20.996 16.907 -5.060 1.00 0.00 N ATOM 242 CZ ARG A 23 -20.775 16.348 -3.852 1.00 0.00 C ATOM 243 NH1 ARG A 23 -21.066 15.068 -3.627 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -20.221 17.078 -2.885 1.00 0.00 N ATOM 0 H ARG A 23 -16.663 16.260 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.393 13.882 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.965 16.213 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.313 16.685 -7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.031 14.963 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.622 14.335 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.886 17.006 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.524 15.742 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.715 17.881 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.462 14.496 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.893 14.660 -2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.968 18.050 -3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.050 16.665 -1.968 1.00 0.00 H new ATOM 258 N PHE A 24 -17.470 15.441 -9.703 1.00 0.00 N ATOM 259 CA PHE A 24 -17.400 15.391 -11.138 1.00 0.00 C ATOM 260 C PHE A 24 -15.955 15.281 -11.531 1.00 0.00 C ATOM 261 O PHE A 24 -15.080 15.441 -10.704 1.00 0.00 O ATOM 262 CB PHE A 24 -17.983 16.673 -11.792 1.00 0.00 C ATOM 263 CG PHE A 24 -19.451 16.939 -11.572 1.00 0.00 C ATOM 264 CD1 PHE A 24 -19.898 17.567 -10.420 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.380 16.585 -12.534 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.241 17.832 -10.232 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.725 16.845 -12.352 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.156 17.468 -11.199 1.00 0.00 C ATOM 0 H PHE A 24 -16.814 16.096 -9.277 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.984 14.537 -11.480 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.422 17.530 -11.419 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.804 16.618 -12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.187 17.853 -9.659 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.050 16.099 -13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -21.574 18.323 -9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.438 16.561 -13.112 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.207 17.670 -11.053 1.00 0.00 H new ATOM 278 N CYS A 25 -15.723 14.959 -12.744 1.00 0.00 N ATOM 279 CA CYS A 25 -14.430 15.023 -13.322 1.00 0.00 C ATOM 280 C CYS A 25 -14.537 15.976 -14.490 1.00 0.00 C ATOM 281 O CYS A 25 -15.457 15.863 -15.308 1.00 0.00 O ATOM 282 CB CYS A 25 -13.974 13.650 -13.802 1.00 0.00 C ATOM 283 SG CYS A 25 -13.831 12.388 -12.496 1.00 0.00 S ATOM 0 H CYS A 25 -16.446 14.633 -13.386 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.696 15.362 -12.591 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.676 13.293 -14.556 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.006 13.756 -14.292 1.00 0.00 H new ATOM 288 N VAL A 26 -13.664 16.926 -14.538 1.00 0.00 N ATOM 289 CA VAL A 26 -13.688 17.949 -15.565 1.00 0.00 C ATOM 290 C VAL A 26 -12.754 17.546 -16.669 1.00 0.00 C ATOM 291 O VAL A 26 -11.616 17.197 -16.402 1.00 0.00 O ATOM 292 CB VAL A 26 -13.192 19.293 -15.004 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.579 20.422 -15.907 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.674 19.532 -13.594 1.00 0.00 C ATOM 0 H VAL A 26 -12.903 17.027 -13.867 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.711 18.056 -15.924 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.104 19.246 -14.963 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.218 21.362 -15.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.137 20.268 -16.892 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.665 20.459 -15.998 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.300 20.492 -13.239 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.764 19.539 -13.578 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.307 18.737 -12.944 1.00 0.00 H new ATOM 304 N TYR A 27 -13.238 17.567 -17.883 1.00 0.00 N ATOM 305 CA TYR A 27 -12.428 17.239 -19.027 1.00 0.00 C ATOM 306 C TYR A 27 -12.076 18.472 -19.796 1.00 0.00 C ATOM 307 O TYR A 27 -12.921 19.370 -19.983 1.00 0.00 O ATOM 308 CB TYR A 27 -13.104 16.223 -19.936 1.00 0.00 C ATOM 309 CG TYR A 27 -13.183 14.841 -19.342 1.00 0.00 C ATOM 310 CD1 TYR A 27 -13.982 14.559 -18.240 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.435 13.822 -19.873 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.022 13.294 -17.698 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.469 12.565 -19.340 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.260 12.300 -18.256 1.00 0.00 C ATOM 315 OH TYR A 27 -13.281 11.035 -17.722 1.00 0.00 O ATOM 0 H TYR A 27 -14.203 17.811 -18.107 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.513 16.782 -18.651 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.112 16.568 -20.167 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.560 16.173 -20.879 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.581 15.344 -17.802 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.807 14.017 -20.729 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.647 13.087 -16.842 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.870 11.779 -19.775 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.157 10.866 -17.317 1.00 0.00 H new ATOM 325 N TYR A 28 -10.849 18.532 -20.221 1.00 0.00 N ATOM 326 CA TYR A 28 -10.342 19.657 -20.940 1.00 0.00 C ATOM 327 C TYR A 28 -9.592 19.189 -22.171 1.00 0.00 C ATOM 328 O TYR A 28 -9.091 18.055 -22.214 1.00 0.00 O ATOM 329 CB TYR A 28 -9.332 20.425 -20.102 1.00 0.00 C ATOM 330 CG TYR A 28 -9.727 20.784 -18.693 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.480 19.902 -17.657 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.275 22.023 -18.383 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.763 20.230 -16.367 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.572 22.354 -17.078 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.306 21.447 -16.075 1.00 0.00 C ATOM 336 OH TYR A 28 -10.559 21.763 -14.765 1.00 0.00 O ATOM 0 H TYR A 28 -10.165 17.790 -20.075 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.195 20.285 -21.197 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.416 19.835 -20.055 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.090 21.348 -20.629 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.054 18.934 -17.876 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.470 22.734 -19.172 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.558 19.526 -15.574 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.008 23.314 -16.844 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.780 21.533 -14.217 1.00 0.00 H new ATOM 346 N ASP A 29 -9.515 20.066 -23.137 1.00 0.00 N ATOM 347 CA ASP A 29 -8.729 19.887 -24.333 1.00 0.00 C ATOM 348 C ASP A 29 -7.380 20.503 -24.094 1.00 0.00 C ATOM 349 O ASP A 29 -7.241 21.737 -24.084 1.00 0.00 O ATOM 350 CB ASP A 29 -9.392 20.594 -25.521 1.00 0.00 C ATOM 351 CG ASP A 29 -8.606 20.478 -26.822 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.814 19.524 -27.572 1.00 0.00 O1- ATOM 353 OD2 ASP A 29 -7.796 21.380 -27.138 1.00 0.00 O ATOM 0 H ASP A 29 -10.014 20.955 -23.114 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.644 18.824 -24.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.388 20.177 -25.671 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.521 21.649 -25.278 1.00 0.00 H new ATOM 358 N GLY A 30 -6.421 19.693 -23.801 1.00 0.00 N ATOM 359 CA GLY A 30 -5.099 20.179 -23.597 1.00 0.00 C ATOM 360 C GLY A 30 -4.418 19.507 -22.453 1.00 0.00 C ATOM 361 O GLY A 30 -4.997 19.294 -21.391 1.00 0.00 O ATOM 0 H GLY A 30 -6.529 18.684 -23.697 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.515 20.027 -24.505 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.133 21.253 -23.416 1.00 0.00 H new ATOM 365 N HIS A 31 -3.183 19.219 -22.668 1.00 0.00 N ATOM 366 CA HIS A 31 -2.341 18.530 -21.700 1.00 0.00 C ATOM 367 C HIS A 31 -1.759 19.517 -20.689 1.00 0.00 C ATOM 368 O HIS A 31 -1.369 19.144 -19.582 1.00 0.00 O ATOM 369 CB HIS A 31 -1.180 17.801 -22.432 1.00 0.00 C ATOM 370 CG HIS A 31 -0.273 18.727 -23.227 1.00 0.00 C ATOM 371 ND1 HIS A 31 -0.463 19.301 -24.442 1.00 0.00 N flip ATOM 372 CD2 HIS A 31 0.948 19.188 -22.779 1.00 0.00 C flip ATOM 373 CE1 HIS A 31 0.625 20.117 -24.742 1.00 0.00 C flip ATOM 374 NE2 HIS A 31 1.446 20.011 -23.704 1.00 0.00 N flip ATOM 0 H HIS A 31 -2.700 19.453 -23.536 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.956 17.803 -21.170 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.580 17.265 -21.697 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.601 17.054 -23.106 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.419 18.928 -21.842 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.770 20.711 -25.632 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.340 20.495 -23.624 1.00 0.00 H new ATOM 382 N LEU A 32 -1.764 20.775 -21.052 1.00 0.00 N ATOM 383 CA LEU A 32 -1.071 21.768 -20.302 1.00 0.00 C ATOM 384 C LEU A 32 -2.067 22.526 -19.432 1.00 0.00 C ATOM 385 O LEU A 32 -3.046 23.056 -19.946 1.00 0.00 O ATOM 386 CB LEU A 32 -0.358 22.709 -21.276 1.00 0.00 C ATOM 387 CG LEU A 32 0.721 23.593 -20.686 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.887 22.745 -20.202 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.199 24.614 -21.698 1.00 0.00 C ATOM 0 H LEU A 32 -2.250 21.130 -21.875 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.328 21.310 -19.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.088 22.108 -22.068 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.107 23.349 -21.744 1.00 0.00 H new ATOM 0 HG LEU A 32 0.297 24.129 -19.837 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.656 23.391 -19.780 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.539 22.049 -19.439 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.303 22.186 -21.040 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.973 25.236 -21.249 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.606 24.100 -22.569 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.362 25.241 -22.005 1.00 0.00 H new ATOM 401 N PRO A 33 -1.826 22.602 -18.110 1.00 0.00 N ATOM 402 CA PRO A 33 -2.758 23.222 -17.142 1.00 0.00 C ATOM 403 C PRO A 33 -3.054 24.709 -17.407 1.00 0.00 C ATOM 404 O PRO A 33 -4.059 25.234 -16.956 1.00 0.00 O ATOM 405 CB PRO A 33 -2.054 23.046 -15.791 1.00 0.00 C ATOM 406 CG PRO A 33 -0.627 22.805 -16.123 1.00 0.00 C ATOM 407 CD PRO A 33 -0.626 22.074 -17.428 1.00 0.00 C ATOM 0 HA PRO A 33 -3.738 22.749 -17.202 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.169 23.934 -15.169 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.475 22.209 -15.234 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.080 23.745 -16.202 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.139 22.217 -15.346 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.281 22.271 -17.999 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.686 20.995 -17.285 1.00 0.00 H new ATOM 415 N ALA A 34 -2.187 25.371 -18.123 1.00 0.00 N ATOM 416 CA ALA A 34 -2.396 26.772 -18.443 1.00 0.00 C ATOM 417 C ALA A 34 -3.061 26.953 -19.814 1.00 0.00 C ATOM 418 O ALA A 34 -3.420 28.065 -20.198 1.00 0.00 O ATOM 419 CB ALA A 34 -1.080 27.523 -18.387 1.00 0.00 C ATOM 0 H ALA A 34 -1.328 24.971 -18.499 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.075 27.184 -17.697 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.249 28.572 -18.629 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.659 27.445 -17.385 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.384 27.092 -19.107 1.00 0.00 H new ATOM 425 N THR A 35 -3.236 25.869 -20.545 1.00 0.00 N ATOM 426 CA THR A 35 -3.736 25.965 -21.911 1.00 0.00 C ATOM 427 C THR A 35 -4.848 24.918 -22.166 1.00 0.00 C ATOM 428 O THR A 35 -5.228 24.648 -23.304 1.00 0.00 O ATOM 429 CB THR A 35 -2.548 25.710 -22.881 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.395 26.401 -22.383 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.840 26.233 -24.283 1.00 0.00 C ATOM 0 H THR A 35 -3.043 24.920 -20.225 1.00 0.00 H new ATOM 0 HA THR A 35 -4.161 26.955 -22.073 1.00 0.00 H new ATOM 0 HB THR A 35 -2.383 24.634 -22.937 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.790 26.607 -23.126 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.986 26.035 -24.930 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.721 25.731 -24.682 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.022 27.307 -24.240 1.00 0.00 H new ATOM 439 N ARG A 36 -5.377 24.345 -21.115 1.00 0.00 N ATOM 440 CA ARG A 36 -6.359 23.303 -21.270 1.00 0.00 C ATOM 441 C ARG A 36 -7.774 23.921 -21.367 1.00 0.00 C ATOM 442 O ARG A 36 -8.214 24.656 -20.481 1.00 0.00 O ATOM 443 CB ARG A 36 -6.196 22.238 -20.142 1.00 0.00 C ATOM 444 CG ARG A 36 -6.835 22.540 -18.775 1.00 0.00 C ATOM 445 CD ARG A 36 -6.433 23.875 -18.212 1.00 0.00 C ATOM 446 NE ARG A 36 -7.108 24.169 -16.963 1.00 0.00 N ATOM 447 CZ ARG A 36 -8.097 25.062 -16.806 1.00 0.00 C ATOM 448 NH1 ARG A 36 -8.678 25.634 -17.866 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -8.527 25.343 -15.589 1.00 0.00 N ATOM 0 H ARG A 36 -5.146 24.580 -20.150 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.203 22.767 -22.206 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.611 21.298 -20.506 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.130 22.076 -19.985 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.920 22.507 -18.874 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.555 21.757 -18.070 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.355 23.890 -18.053 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.659 24.656 -18.938 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.806 23.655 -16.136 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.370 25.393 -18.808 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.429 26.311 -17.732 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.108 24.883 -14.781 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.278 26.020 -15.457 1.00 0.00 H new ATOM 463 N VAL A 37 -8.452 23.656 -22.449 1.00 0.00 N ATOM 464 CA VAL A 37 -9.735 24.281 -22.710 1.00 0.00 C ATOM 465 C VAL A 37 -10.863 23.427 -22.145 1.00 0.00 C ATOM 466 O VAL A 37 -10.913 22.248 -22.403 1.00 0.00 O ATOM 467 CB VAL A 37 -9.937 24.482 -24.233 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.232 25.221 -24.518 1.00 0.00 C ATOM 469 CG2 VAL A 37 -8.754 25.231 -24.839 1.00 0.00 C ATOM 0 H VAL A 37 -8.142 23.008 -23.173 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.750 25.255 -22.221 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.998 23.497 -24.695 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.349 25.349 -25.594 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.072 24.647 -24.127 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.206 26.199 -24.037 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.916 25.362 -25.909 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.660 26.208 -24.364 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.840 24.659 -24.677 1.00 0.00 H new ATOM 479 N LEU A 38 -11.746 24.028 -21.376 1.00 0.00 N ATOM 480 CA LEU A 38 -12.856 23.309 -20.745 1.00 0.00 C ATOM 481 C LEU A 38 -13.763 22.648 -21.793 1.00 0.00 C ATOM 482 O LEU A 38 -14.236 23.306 -22.737 1.00 0.00 O ATOM 483 CB LEU A 38 -13.655 24.291 -19.826 1.00 0.00 C ATOM 484 CG LEU A 38 -14.891 23.770 -19.026 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.121 23.559 -19.895 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.560 22.494 -18.305 1.00 0.00 C ATOM 0 H LEU A 38 -11.724 25.026 -21.165 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.454 22.504 -20.130 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.952 24.706 -19.104 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.996 25.117 -20.451 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.133 24.551 -18.305 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.944 23.197 -19.279 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.404 24.503 -20.360 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.898 22.826 -20.670 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.435 22.150 -17.755 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.264 21.734 -19.028 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.740 22.672 -17.609 1.00 0.00 H new ATOM 498 N LEU A 39 -13.991 21.353 -21.629 1.00 0.00 N ATOM 499 CA LEU A 39 -14.896 20.656 -22.495 1.00 0.00 C ATOM 500 C LEU A 39 -16.205 20.347 -21.772 1.00 0.00 C ATOM 501 O LEU A 39 -17.241 20.921 -22.102 1.00 0.00 O ATOM 502 CB LEU A 39 -14.267 19.373 -23.064 1.00 0.00 C ATOM 503 CG LEU A 39 -12.990 19.550 -23.903 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.518 18.214 -24.440 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.209 20.530 -25.050 1.00 0.00 C ATOM 0 H LEU A 39 -13.559 20.778 -20.906 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.114 21.312 -23.338 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.039 18.706 -22.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.013 18.871 -23.680 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.220 19.961 -23.250 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.614 18.358 -25.031 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.305 17.542 -23.608 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.296 17.779 -25.067 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.287 20.632 -25.623 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.001 20.158 -25.700 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.496 21.502 -24.648 1.00 0.00 H new ATOM 517 N MET A 40 -16.154 19.531 -20.707 1.00 0.00 N ATOM 518 CA MET A 40 -17.383 19.109 -20.028 1.00 0.00 C ATOM 519 C MET A 40 -17.090 18.410 -18.736 1.00 0.00 C ATOM 520 O MET A 40 -15.938 18.054 -18.456 1.00 0.00 O ATOM 521 CB MET A 40 -18.268 18.223 -20.927 1.00 0.00 C ATOM 522 CG MET A 40 -17.611 16.955 -21.410 1.00 0.00 C ATOM 523 SD MET A 40 -18.754 15.856 -22.267 1.00 0.00 S ATOM 524 CE MET A 40 -19.927 15.505 -20.950 1.00 0.00 C ATOM 0 H MET A 40 -15.293 19.158 -20.306 1.00 0.00 H new ATOM 0 HA MET A 40 -17.939 20.020 -19.806 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.172 17.960 -20.377 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.580 18.806 -21.793 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.789 17.210 -22.079 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.178 16.429 -20.559 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.607 14.715 -21.269 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.388 15.182 -20.059 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.498 16.405 -20.722 1.00 0.00 H new ATOM 534 N TYR A 41 -18.116 18.244 -17.954 1.00 0.00 N ATOM 535 CA TYR A 41 -18.041 17.611 -16.661 1.00 0.00 C ATOM 536 C TYR A 41 -18.693 16.240 -16.719 1.00 0.00 C ATOM 537 O TYR A 41 -19.734 16.074 -17.344 1.00 0.00 O ATOM 538 CB TYR A 41 -18.780 18.454 -15.621 1.00 0.00 C ATOM 539 CG TYR A 41 -18.221 19.843 -15.394 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.661 20.927 -16.148 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.267 20.070 -14.418 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.159 22.194 -15.933 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.765 21.335 -14.195 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.210 22.390 -14.954 1.00 0.00 C ATOM 545 OH TYR A 41 -16.711 23.649 -14.724 1.00 0.00 O ATOM 0 H TYR A 41 -19.056 18.552 -18.201 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.991 17.515 -16.383 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.822 18.546 -15.927 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.772 17.918 -14.672 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.407 20.774 -16.914 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -16.910 19.244 -13.821 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.507 23.026 -16.528 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.024 21.496 -13.426 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.052 23.612 -14.000 1.00 0.00 H new ATOM 555 N VAL A 42 -18.066 15.269 -16.103 1.00 0.00 N ATOM 556 CA VAL A 42 -18.614 13.925 -16.017 1.00 0.00 C ATOM 557 C VAL A 42 -18.706 13.542 -14.550 1.00 0.00 C ATOM 558 O VAL A 42 -17.699 13.491 -13.865 1.00 0.00 O ATOM 559 CB VAL A 42 -17.719 12.892 -16.753 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.350 11.503 -16.741 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.438 13.339 -18.175 1.00 0.00 C ATOM 0 H VAL A 42 -17.161 15.381 -15.645 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.595 13.918 -16.492 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.772 12.834 -16.217 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.699 10.803 -17.264 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.484 11.173 -15.711 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.319 11.539 -17.239 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.809 12.600 -18.671 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.378 13.439 -18.718 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.924 14.300 -18.159 1.00 0.00 H new ATOM 571 N ARG A 43 -19.900 13.329 -14.073 1.00 0.00 N ATOM 572 CA ARG A 43 -20.143 13.002 -12.697 1.00 0.00 C ATOM 573 C ARG A 43 -19.669 11.610 -12.318 1.00 0.00 C ATOM 574 O ARG A 43 -19.785 10.644 -13.101 1.00 0.00 O ATOM 575 CB ARG A 43 -21.611 13.208 -12.380 1.00 0.00 C ATOM 576 CG ARG A 43 -22.052 12.772 -11.003 1.00 0.00 C ATOM 577 CD ARG A 43 -23.375 13.392 -10.680 1.00 0.00 C ATOM 578 NE ARG A 43 -24.377 13.156 -11.737 1.00 0.00 N ATOM 579 CZ ARG A 43 -25.621 13.651 -11.751 1.00 0.00 C ATOM 580 NH1 ARG A 43 -26.052 14.412 -10.758 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -26.416 13.404 -12.781 1.00 0.00 N ATOM 0 H ARG A 43 -20.746 13.379 -14.640 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.547 13.679 -12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -21.844 14.266 -12.498 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.203 12.667 -13.119 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -22.128 11.685 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.310 13.068 -10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.743 12.987 -9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.246 14.465 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.099 12.567 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -25.435 14.625 -9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -27.001 14.785 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -26.080 12.838 -13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -27.364 13.780 -12.795 1.00 0.00 H new ATOM 595 N ILE A 44 -19.152 11.530 -11.121 1.00 0.00 N ATOM 596 CA ILE A 44 -18.632 10.291 -10.553 1.00 0.00 C ATOM 597 C ILE A 44 -19.719 9.235 -10.501 1.00 0.00 C ATOM 598 O ILE A 44 -20.802 9.454 -9.945 1.00 0.00 O ATOM 599 CB ILE A 44 -18.035 10.509 -9.124 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.859 11.487 -9.184 1.00 0.00 C ATOM 601 CG2 ILE A 44 -17.599 9.181 -8.484 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.656 10.988 -9.954 1.00 0.00 C ATOM 0 H ILE A 44 -19.074 12.331 -10.494 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.827 9.951 -11.204 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.818 10.935 -8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -17.202 12.418 -9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.549 11.723 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.189 9.372 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.460 8.518 -8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.838 8.710 -9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.875 11.748 -9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.281 10.075 -9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.944 10.781 -10.985 1.00 0.00 H new ATOM 614 N GLY A 45 -19.438 8.130 -11.118 1.00 0.00 N ATOM 615 CA GLY A 45 -20.347 7.023 -11.143 1.00 0.00 C ATOM 616 C GLY A 45 -21.146 6.959 -12.421 1.00 0.00 C ATOM 617 O GLY A 45 -21.831 5.977 -12.675 1.00 0.00 O ATOM 0 H GLY A 45 -18.566 7.968 -11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.788 6.095 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.029 7.098 -10.296 1.00 0.00 H new ATOM 621 N THR A 46 -21.064 7.990 -13.229 1.00 0.00 N ATOM 622 CA THR A 46 -21.815 8.028 -14.454 1.00 0.00 C ATOM 623 C THR A 46 -20.903 8.132 -15.650 1.00 0.00 C ATOM 624 O THR A 46 -19.716 8.523 -15.528 1.00 0.00 O ATOM 625 CB THR A 46 -22.864 9.179 -14.459 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.251 10.440 -14.121 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.998 8.899 -13.482 1.00 0.00 C ATOM 0 H THR A 46 -20.484 8.811 -13.057 1.00 0.00 H new ATOM 0 HA THR A 46 -22.361 7.087 -14.521 1.00 0.00 H new ATOM 0 HB THR A 46 -23.271 9.235 -15.469 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.281 10.321 -14.041 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.713 9.721 -13.509 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.499 7.972 -13.762 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.594 8.803 -12.474 1.00 0.00 H new ATOM 635 N THR A 47 -21.411 7.738 -16.777 1.00 0.00 N ATOM 636 CA THR A 47 -20.686 7.848 -17.983 1.00 0.00 C ATOM 637 C THR A 47 -21.160 9.039 -18.762 1.00 0.00 C ATOM 638 O THR A 47 -22.310 9.491 -18.612 1.00 0.00 O ATOM 639 CB THR A 47 -20.804 6.597 -18.873 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.155 6.386 -19.330 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.313 5.372 -18.158 1.00 0.00 C ATOM 0 H THR A 47 -22.342 7.332 -16.876 1.00 0.00 H new ATOM 0 HA THR A 47 -19.639 7.959 -17.702 1.00 0.00 H new ATOM 0 HB THR A 47 -20.174 6.774 -19.744 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.213 6.595 -20.286 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.409 4.506 -18.812 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.266 5.505 -17.884 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.906 5.214 -17.257 1.00 0.00 H new ATOM 649 N ALA A 48 -20.308 9.539 -19.571 1.00 0.00 N ATOM 650 CA ALA A 48 -20.636 10.635 -20.424 1.00 0.00 C ATOM 651 C ALA A 48 -19.913 10.483 -21.722 1.00 0.00 C ATOM 652 O ALA A 48 -18.829 9.887 -21.774 1.00 0.00 O ATOM 653 CB ALA A 48 -20.294 11.954 -19.777 1.00 0.00 C ATOM 0 H ALA A 48 -19.350 9.202 -19.668 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.711 10.630 -20.604 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.556 12.769 -20.452 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.853 12.059 -18.847 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.226 11.988 -19.564 1.00 0.00 H new ATOM 659 N THR A 49 -20.506 10.977 -22.748 1.00 0.00 N ATOM 660 CA THR A 49 -19.934 10.914 -24.041 1.00 0.00 C ATOM 661 C THR A 49 -19.154 12.206 -24.293 1.00 0.00 C ATOM 662 O THR A 49 -19.741 13.278 -24.368 1.00 0.00 O ATOM 663 CB THR A 49 -21.052 10.784 -25.092 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.003 9.776 -24.666 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.475 10.390 -26.445 1.00 0.00 C ATOM 0 H THR A 49 -21.413 11.442 -22.712 1.00 0.00 H new ATOM 0 HA THR A 49 -19.270 10.053 -24.112 1.00 0.00 H new ATOM 0 HB THR A 49 -21.550 11.749 -25.189 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.558 8.904 -24.622 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.281 10.303 -27.173 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.768 11.152 -26.775 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.962 9.433 -26.357 1.00 0.00 H new ATOM 673 N ILE A 50 -17.857 12.108 -24.395 1.00 0.00 N ATOM 674 CA ILE A 50 -17.048 13.267 -24.698 1.00 0.00 C ATOM 675 C ILE A 50 -16.896 13.243 -26.191 1.00 0.00 C ATOM 676 O ILE A 50 -16.665 12.204 -26.752 1.00 0.00 O ATOM 677 CB ILE A 50 -15.617 13.147 -24.130 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.590 12.614 -22.692 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.881 14.492 -24.229 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.251 13.504 -21.664 1.00 0.00 C ATOM 0 H ILE A 50 -17.334 11.241 -24.274 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.515 14.160 -24.282 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.095 12.412 -24.743 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.078 11.640 -22.673 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.552 12.456 -22.399 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.875 14.387 -23.824 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.821 14.798 -25.273 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.424 15.247 -23.660 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.179 13.040 -20.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.751 14.472 -21.646 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.300 13.643 -21.924 1.00 0.00 H new ATOM 692 N THR A 51 -17.053 14.325 -26.815 1.00 0.00 N ATOM 693 CA THR A 51 -16.951 14.382 -28.248 1.00 0.00 C ATOM 694 C THR A 51 -15.921 15.455 -28.613 1.00 0.00 C ATOM 695 O THR A 51 -16.147 16.646 -28.372 1.00 0.00 O ATOM 696 CB THR A 51 -18.329 14.733 -28.843 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.330 13.932 -28.176 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.368 14.423 -30.335 1.00 0.00 C ATOM 0 H THR A 51 -17.258 15.219 -26.368 1.00 0.00 H new ATOM 0 HA THR A 51 -16.635 13.420 -28.651 1.00 0.00 H new ATOM 0 HB THR A 51 -18.519 15.797 -28.701 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.215 14.143 -28.541 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.350 14.678 -30.734 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.604 15.007 -30.848 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.178 13.361 -30.491 1.00 0.00 H new ATOM 706 N ALA A 52 -14.777 15.025 -29.112 1.00 0.00 N ATOM 707 CA ALA A 52 -13.704 15.928 -29.475 1.00 0.00 C ATOM 708 C ALA A 52 -13.058 15.469 -30.771 1.00 0.00 C ATOM 709 O ALA A 52 -12.766 14.276 -30.941 1.00 0.00 O ATOM 710 CB ALA A 52 -12.672 16.003 -28.358 1.00 0.00 C ATOM 0 H ALA A 52 -14.567 14.041 -29.276 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.117 16.926 -29.624 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.873 16.685 -28.646 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.148 16.366 -27.447 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.256 15.011 -28.180 1.00 0.00 H new ATOM 716 N ARG A 53 -12.871 16.416 -31.691 1.00 0.00 N ATOM 717 CA ARG A 53 -12.272 16.209 -33.037 1.00 0.00 C ATOM 718 C ARG A 53 -13.092 15.218 -33.861 1.00 0.00 C ATOM 719 O ARG A 53 -12.599 14.599 -34.817 1.00 0.00 O ATOM 720 CB ARG A 53 -10.812 15.744 -32.959 1.00 0.00 C ATOM 721 CG ARG A 53 -9.907 16.672 -32.184 1.00 0.00 C ATOM 722 CD ARG A 53 -8.451 16.275 -32.338 1.00 0.00 C ATOM 723 NE ARG A 53 -8.201 14.876 -31.970 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.059 14.207 -32.181 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.020 14.811 -32.764 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.969 12.931 -31.814 1.00 0.00 N ATOM 0 H ARG A 53 -13.137 17.387 -31.527 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.287 17.179 -33.534 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.781 14.756 -32.499 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.422 15.636 -33.971 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.046 17.695 -32.533 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.182 16.655 -31.129 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.143 16.435 -33.371 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.834 16.925 -31.717 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.961 14.370 -31.515 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.093 15.787 -33.051 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.154 14.296 -32.922 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.766 12.469 -31.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.103 12.415 -31.971 1.00 0.00 H new ATOM 740 N GLY A 54 -14.348 15.136 -33.533 1.00 0.00 N ATOM 741 CA GLY A 54 -15.255 14.238 -34.204 1.00 0.00 C ATOM 742 C GLY A 54 -15.207 12.831 -33.630 1.00 0.00 C ATOM 743 O GLY A 54 -15.766 11.894 -34.212 1.00 0.00 O ATOM 0 H GLY A 54 -14.778 15.689 -32.792 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.271 14.625 -34.125 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.009 14.203 -35.265 1.00 0.00 H new ATOM 747 N HIS A 55 -14.524 12.661 -32.517 1.00 0.00 N ATOM 748 CA HIS A 55 -14.432 11.367 -31.879 1.00 0.00 C ATOM 749 C HIS A 55 -15.171 11.414 -30.559 1.00 0.00 C ATOM 750 O HIS A 55 -14.961 12.324 -29.755 1.00 0.00 O ATOM 751 CB HIS A 55 -12.965 10.955 -31.650 1.00 0.00 C ATOM 752 CG HIS A 55 -12.129 10.855 -32.897 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.860 9.679 -33.559 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.482 11.822 -33.589 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.079 9.958 -34.603 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.820 11.252 -34.667 1.00 0.00 N ATOM 0 H HIS A 55 -14.023 13.407 -32.035 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.884 10.622 -32.534 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.502 11.677 -30.977 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.950 9.991 -31.142 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.481 12.873 -33.341 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.708 9.224 -35.303 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.251 11.732 -35.364 1.00 0.00 H new ATOM 764 N GLU A 56 -16.036 10.470 -30.355 1.00 0.00 N ATOM 765 CA GLU A 56 -16.818 10.376 -29.149 1.00 0.00 C ATOM 766 C GLU A 56 -16.325 9.252 -28.244 1.00 0.00 C ATOM 767 O GLU A 56 -16.163 8.100 -28.657 1.00 0.00 O ATOM 768 CB GLU A 56 -18.326 10.285 -29.457 1.00 0.00 C ATOM 769 CG GLU A 56 -18.668 9.692 -30.820 1.00 0.00 C ATOM 770 CD GLU A 56 -18.215 8.261 -31.006 1.00 0.00 C ATOM 771 OE1 GLU A 56 -17.055 8.041 -31.422 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -19.003 7.333 -30.745 1.00 0.00 O ATOM 0 H GLU A 56 -16.226 9.728 -31.029 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.677 11.300 -28.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.804 9.683 -28.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.756 11.285 -29.394 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.747 9.741 -30.964 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.214 10.309 -31.596 1.00 0.00 H new ATOM 779 N PHE A 57 -16.042 9.601 -27.044 1.00 0.00 N ATOM 780 CA PHE A 57 -15.514 8.710 -26.082 1.00 0.00 C ATOM 781 C PHE A 57 -16.530 8.546 -24.975 1.00 0.00 C ATOM 782 O PHE A 57 -16.832 9.515 -24.274 1.00 0.00 O ATOM 783 CB PHE A 57 -14.227 9.317 -25.503 1.00 0.00 C ATOM 784 CG PHE A 57 -13.254 9.826 -26.542 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.448 8.958 -27.260 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.166 11.186 -26.808 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.577 9.437 -28.217 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.302 11.667 -27.762 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.507 10.794 -28.468 1.00 0.00 C ATOM 0 H PHE A 57 -16.177 10.549 -26.693 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.295 7.743 -26.534 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.494 10.139 -24.839 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.727 8.565 -24.893 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.502 7.896 -27.069 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.786 11.877 -26.256 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.951 8.752 -28.769 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.247 12.728 -27.957 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.828 11.170 -29.219 1.00 0.00 H new ATOM 799 N GLU A 58 -17.103 7.369 -24.851 1.00 0.00 N ATOM 800 CA GLU A 58 -18.010 7.115 -23.765 1.00 0.00 C ATOM 801 C GLU A 58 -17.133 6.768 -22.591 1.00 0.00 C ATOM 802 O GLU A 58 -16.560 5.673 -22.528 1.00 0.00 O ATOM 803 CB GLU A 58 -18.922 5.933 -24.118 1.00 0.00 C ATOM 804 CG GLU A 58 -20.050 5.655 -23.127 1.00 0.00 C ATOM 805 CD GLU A 58 -21.069 6.765 -23.076 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.455 7.281 -24.159 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.505 7.147 -21.962 1.00 0.00 O ATOM 0 H GLU A 58 -16.956 6.583 -25.484 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.652 7.970 -23.551 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.360 6.115 -25.099 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.308 5.036 -24.204 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.547 4.724 -23.401 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.627 5.510 -22.133 1.00 0.00 H new ATOM 814 N VAL A 59 -17.024 7.672 -21.682 1.00 0.00 N ATOM 815 CA VAL A 59 -16.105 7.527 -20.592 1.00 0.00 C ATOM 816 C VAL A 59 -16.863 7.379 -19.321 1.00 0.00 C ATOM 817 O VAL A 59 -17.967 7.914 -19.192 1.00 0.00 O ATOM 818 CB VAL A 59 -15.133 8.751 -20.480 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.375 8.955 -21.777 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.861 10.035 -20.082 1.00 0.00 C ATOM 0 H VAL A 59 -17.566 8.536 -21.667 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.503 6.638 -20.780 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.423 8.521 -19.686 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.706 9.810 -21.677 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.792 8.062 -22.002 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.082 9.140 -22.586 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.145 10.854 -20.018 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.617 10.272 -20.831 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.341 9.896 -19.113 1.00 0.00 H new ATOM 830 N GLU A 60 -16.319 6.661 -18.407 1.00 0.00 N ATOM 831 CA GLU A 60 -16.945 6.507 -17.136 1.00 0.00 C ATOM 832 C GLU A 60 -16.127 7.226 -16.114 1.00 0.00 C ATOM 833 O GLU A 60 -14.913 7.014 -16.031 1.00 0.00 O ATOM 834 CB GLU A 60 -17.082 5.026 -16.744 1.00 0.00 C ATOM 835 CG GLU A 60 -17.865 4.816 -15.443 1.00 0.00 C ATOM 836 CD GLU A 60 -18.058 3.364 -15.089 1.00 0.00 C ATOM 837 OE1 GLU A 60 -17.182 2.784 -14.415 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -19.101 2.780 -15.469 1.00 0.00 O ATOM 0 H GLU A 60 -15.434 6.165 -18.513 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.950 6.925 -17.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.579 4.488 -17.551 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.088 4.592 -16.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.341 5.315 -14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.841 5.293 -15.534 1.00 0.00 H new ATOM 845 N ALA A 61 -16.744 8.105 -15.364 1.00 0.00 N ATOM 846 CA ALA A 61 -16.043 8.704 -14.251 1.00 0.00 C ATOM 847 C ALA A 61 -16.095 7.708 -13.107 1.00 0.00 C ATOM 848 O ALA A 61 -16.981 7.749 -12.264 1.00 0.00 O ATOM 849 CB ALA A 61 -16.629 10.048 -13.860 1.00 0.00 C ATOM 0 H ALA A 61 -17.706 8.417 -15.496 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.010 8.915 -14.526 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.069 10.458 -13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.567 10.732 -14.706 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.673 9.920 -13.573 1.00 0.00 H new ATOM 855 N LYS A 62 -15.202 6.746 -13.177 1.00 0.00 N ATOM 856 CA LYS A 62 -15.178 5.606 -12.278 1.00 0.00 C ATOM 857 C LYS A 62 -14.769 6.017 -10.894 1.00 0.00 C ATOM 858 O LYS A 62 -15.483 5.792 -9.910 1.00 0.00 O ATOM 859 CB LYS A 62 -14.169 4.568 -12.785 1.00 0.00 C ATOM 860 CG LYS A 62 -14.266 4.282 -14.267 1.00 0.00 C ATOM 861 CD LYS A 62 -13.330 3.154 -14.701 1.00 0.00 C ATOM 862 CE LYS A 62 -13.791 1.789 -14.198 1.00 0.00 C ATOM 863 NZ LYS A 62 -15.032 1.338 -14.868 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.456 6.731 -13.873 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.183 5.186 -12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.161 4.917 -12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.315 3.638 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.293 4.016 -14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.026 5.186 -14.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.268 3.135 -15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.326 3.355 -14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.002 1.056 -14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.958 1.837 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.244 0.360 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.821 1.957 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.905 1.380 -15.899 1.00 0.00 H new ATOM 877 N ASP A 63 -13.625 6.609 -10.818 1.00 0.00 N ATOM 878 CA ASP A 63 -13.055 6.980 -9.554 1.00 0.00 C ATOM 879 C ASP A 63 -12.724 8.453 -9.536 1.00 0.00 C ATOM 880 O ASP A 63 -12.483 9.051 -10.581 1.00 0.00 O ATOM 881 CB ASP A 63 -11.802 6.136 -9.267 1.00 0.00 C ATOM 882 CG ASP A 63 -11.208 6.410 -7.913 1.00 0.00 C ATOM 883 OD1 ASP A 63 -11.794 5.983 -6.905 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.166 7.088 -7.837 1.00 0.00 O ATOM 0 H ASP A 63 -13.053 6.852 -11.627 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.787 6.787 -8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.058 5.079 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.053 6.335 -10.034 1.00 0.00 H new ATOM 889 N GLN A 64 -12.678 9.019 -8.345 1.00 0.00 N ATOM 890 CA GLN A 64 -12.409 10.442 -8.118 1.00 0.00 C ATOM 891 C GLN A 64 -10.954 10.818 -8.417 1.00 0.00 C ATOM 892 O GLN A 64 -10.534 11.946 -8.184 1.00 0.00 O ATOM 893 CB GLN A 64 -12.771 10.786 -6.689 1.00 0.00 C ATOM 894 CG GLN A 64 -14.237 10.551 -6.395 1.00 0.00 C ATOM 895 CD GLN A 64 -14.566 10.637 -4.938 1.00 0.00 C ATOM 896 OE1 GLN A 64 -13.947 11.379 -4.184 1.00 0.00 O ATOM 897 NE2 GLN A 64 -15.520 9.851 -4.515 1.00 0.00 N ATOM 0 H GLN A 64 -12.829 8.497 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.022 11.021 -8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.166 10.187 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.527 11.831 -6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.832 11.284 -6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.523 9.568 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.013 9.247 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.772 9.841 -3.527 1.00 0.00 H new ATOM 906 N ASN A 65 -10.179 9.851 -8.873 1.00 0.00 N ATOM 907 CA ASN A 65 -8.826 10.089 -9.365 1.00 0.00 C ATOM 908 C ASN A 65 -8.970 10.760 -10.735 1.00 0.00 C ATOM 909 O ASN A 65 -8.108 11.507 -11.186 1.00 0.00 O ATOM 910 CB ASN A 65 -8.113 8.741 -9.538 1.00 0.00 C ATOM 911 CG ASN A 65 -6.603 8.826 -9.744 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.063 9.817 -10.228 1.00 0.00 O ATOM 913 ND2 ASN A 65 -5.922 7.769 -9.408 1.00 0.00 N ATOM 0 H ASN A 65 -10.467 8.873 -8.914 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.253 10.710 -8.676 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.310 8.129 -8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.551 8.223 -10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.911 7.749 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.399 6.961 -9.008 1.00 0.00 H new ATOM 920 N CYS A 66 -10.102 10.477 -11.366 1.00 0.00 N ATOM 921 CA CYS A 66 -10.478 11.007 -12.654 1.00 0.00 C ATOM 922 C CYS A 66 -9.499 10.658 -13.757 1.00 0.00 C ATOM 923 O CYS A 66 -8.752 11.504 -14.265 1.00 0.00 O ATOM 924 CB CYS A 66 -10.789 12.503 -12.600 1.00 0.00 C ATOM 925 SG CYS A 66 -12.162 12.910 -11.467 1.00 0.00 S ATOM 0 H CYS A 66 -10.803 9.849 -10.974 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.408 10.504 -12.919 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.895 13.043 -12.286 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.037 12.853 -13.602 1.00 0.00 H new ATOM 930 N LYS A 67 -9.429 9.389 -14.044 1.00 0.00 N ATOM 931 CA LYS A 67 -8.686 8.897 -15.172 1.00 0.00 C ATOM 932 C LYS A 67 -9.657 8.589 -16.229 1.00 0.00 C ATOM 933 O LYS A 67 -10.751 8.066 -15.954 1.00 0.00 O ATOM 934 CB LYS A 67 -7.855 7.667 -14.854 1.00 0.00 C ATOM 935 CG LYS A 67 -6.418 7.861 -14.383 1.00 0.00 C ATOM 936 CD LYS A 67 -6.328 8.867 -13.304 1.00 0.00 C ATOM 937 CE LYS A 67 -5.873 10.179 -13.846 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.860 11.230 -12.815 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.889 8.660 -13.498 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.974 9.662 -15.481 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.382 7.101 -14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.829 7.044 -15.748 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.020 6.910 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.798 8.173 -15.224 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.300 8.983 -12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.634 8.524 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.873 10.070 -14.265 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.529 10.481 -14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.240 12.007 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.825 11.591 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.506 10.835 -11.921 1.00 0.00 H new ATOM 952 N VAL A 68 -9.300 8.897 -17.403 1.00 0.00 N ATOM 953 CA VAL A 68 -10.220 8.756 -18.488 1.00 0.00 C ATOM 954 C VAL A 68 -10.224 7.352 -19.108 1.00 0.00 C ATOM 955 O VAL A 68 -9.444 7.021 -20.015 1.00 0.00 O ATOM 956 CB VAL A 68 -10.102 9.896 -19.541 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.701 10.013 -20.127 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.144 9.730 -20.624 1.00 0.00 C ATOM 0 H VAL A 68 -8.378 9.251 -17.658 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.209 8.871 -18.044 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.292 10.835 -19.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.678 10.824 -20.855 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.989 10.222 -19.329 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.432 9.077 -20.617 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.045 10.537 -21.351 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.000 8.772 -21.124 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.139 9.762 -20.180 1.00 0.00 H new ATOM 968 N ILE A 69 -11.095 6.527 -18.579 1.00 0.00 N ATOM 969 CA ILE A 69 -11.296 5.193 -19.076 1.00 0.00 C ATOM 970 C ILE A 69 -12.670 5.101 -19.705 1.00 0.00 C ATOM 971 O ILE A 69 -13.691 5.447 -19.081 1.00 0.00 O ATOM 972 CB ILE A 69 -11.137 4.062 -17.977 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.691 3.920 -17.492 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.624 2.708 -18.484 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.215 4.996 -16.557 1.00 0.00 C ATOM 0 H ILE A 69 -11.688 6.768 -17.785 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.511 5.012 -19.810 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.757 4.377 -17.138 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.586 2.957 -16.993 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.034 3.902 -18.362 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.498 1.960 -17.701 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.678 2.778 -18.753 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.044 2.418 -19.360 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.180 4.801 -16.274 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.279 5.964 -17.054 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.840 5.004 -15.664 1.00 0.00 H new ATOM 987 N LEU A 70 -12.696 4.690 -20.937 1.00 0.00 N ATOM 988 CA LEU A 70 -13.911 4.467 -21.639 1.00 0.00 C ATOM 989 C LEU A 70 -14.462 3.144 -21.255 1.00 0.00 C ATOM 990 O LEU A 70 -13.722 2.221 -20.917 1.00 0.00 O ATOM 991 CB LEU A 70 -13.740 4.494 -23.156 1.00 0.00 C ATOM 992 CG LEU A 70 -13.517 5.833 -23.876 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.195 6.478 -23.499 1.00 0.00 C ATOM 994 CD2 LEU A 70 -13.593 5.615 -25.378 1.00 0.00 C ATOM 0 H LEU A 70 -11.858 4.499 -21.486 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.585 5.279 -21.367 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.895 3.849 -23.399 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.627 4.035 -23.591 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.303 6.519 -23.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.085 7.421 -24.034 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.175 6.665 -22.425 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.375 5.811 -23.767 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.435 6.563 -25.892 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.824 4.905 -25.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.575 5.220 -25.639 1.00 0.00 H new ATOM 1006 N THR A 71 -15.722 3.012 -21.433 1.00 0.00 N ATOM 1007 CA THR A 71 -16.457 1.823 -21.062 1.00 0.00 C ATOM 1008 C THR A 71 -16.201 0.666 -22.033 1.00 0.00 C ATOM 1009 O THR A 71 -16.722 -0.431 -21.880 1.00 0.00 O ATOM 1010 CB THR A 71 -17.946 2.152 -20.944 1.00 0.00 C ATOM 1011 OG1 THR A 71 -18.341 2.950 -22.071 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.202 2.939 -19.685 1.00 0.00 C ATOM 0 H THR A 71 -16.304 3.738 -21.851 1.00 0.00 H new ATOM 0 HA THR A 71 -16.100 1.486 -20.089 1.00 0.00 H new ATOM 0 HB THR A 71 -18.515 1.223 -20.916 1.00 0.00 H new ATOM 0 HG1 THR A 71 -19.295 3.163 -22.002 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.265 3.169 -19.609 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.895 2.351 -18.820 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.631 3.867 -19.714 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.374 0.938 -23.020 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.931 -0.065 -23.962 1.00 0.00 C ATOM 1022 C ASN A 72 -13.592 -0.634 -23.508 1.00 0.00 C ATOM 1023 O ASN A 72 -13.049 -1.545 -24.128 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.790 0.510 -25.384 1.00 0.00 C ATOM 1025 CG ASN A 72 -16.111 0.902 -26.026 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -16.769 0.083 -26.650 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -16.479 2.159 -25.928 1.00 0.00 N ATOM 0 H ASN A 72 -14.989 1.867 -23.191 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.684 -0.852 -23.992 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.141 1.385 -25.348 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.295 -0.228 -26.016 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.336 2.476 -26.380 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.907 2.818 -25.400 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.047 -0.067 -22.432 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.776 -0.514 -21.908 1.00 0.00 C ATOM 1036 C GLY A 73 -10.654 0.239 -22.560 1.00 0.00 C ATOM 1037 O GLY A 73 -9.506 -0.210 -22.596 1.00 0.00 O ATOM 0 H GLY A 73 -13.472 0.701 -21.913 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.746 -0.364 -20.829 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.657 -1.583 -22.084 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.982 1.393 -23.086 1.00 0.00 N ATOM 1042 CA LYS A 74 -10.040 2.175 -23.817 1.00 0.00 C ATOM 1043 C LYS A 74 -9.715 3.412 -23.032 1.00 0.00 C ATOM 1044 O LYS A 74 -10.580 3.952 -22.376 1.00 0.00 O ATOM 1045 CB LYS A 74 -10.642 2.576 -25.168 1.00 0.00 C ATOM 1046 CG LYS A 74 -11.170 1.416 -26.016 1.00 0.00 C ATOM 1047 CD LYS A 74 -10.077 0.441 -26.424 1.00 0.00 C ATOM 1048 CE LYS A 74 -10.649 -0.745 -27.198 1.00 0.00 C ATOM 1049 NZ LYS A 74 -11.343 -0.330 -28.442 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.911 1.809 -23.015 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.134 1.593 -23.984 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.458 3.276 -24.991 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.884 3.109 -25.742 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.937 0.882 -25.455 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.648 1.814 -26.911 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.338 0.956 -27.038 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.558 0.081 -25.536 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.843 -1.434 -27.448 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.347 -1.288 -26.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.564 -1.171 -29.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.225 0.165 -28.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.728 0.307 -28.987 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.494 3.833 -23.064 1.00 0.00 N ATOM 1064 CA GLN A 75 -8.127 5.053 -22.430 1.00 0.00 C ATOM 1065 C GLN A 75 -8.076 6.127 -23.506 1.00 0.00 C ATOM 1066 O GLN A 75 -7.638 5.865 -24.634 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.780 4.932 -21.707 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.473 6.148 -20.857 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.152 6.086 -20.128 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -4.132 6.506 -20.650 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -5.150 5.580 -18.927 1.00 0.00 N ATOM 0 H GLN A 75 -7.728 3.344 -23.527 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.860 5.311 -21.666 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.787 4.043 -21.076 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.987 4.795 -22.442 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.481 7.032 -21.494 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.271 6.275 -20.126 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.019 5.237 -18.517 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.280 5.527 -18.397 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.552 7.290 -23.185 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.609 8.377 -24.105 1.00 0.00 C ATOM 1082 C ALA A 76 -7.239 9.079 -24.187 1.00 0.00 C ATOM 1083 O ALA A 76 -6.360 8.821 -23.342 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.708 9.326 -23.661 1.00 0.00 C ATOM 0 H ALA A 76 -8.918 7.512 -22.259 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.841 8.017 -25.107 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.766 10.165 -24.354 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.662 8.798 -23.649 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.486 9.697 -22.660 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.035 9.954 -25.204 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.773 10.685 -25.415 1.00 0.00 C ATOM 1092 C PRO A 77 -5.286 11.424 -24.178 1.00 0.00 C ATOM 1093 O PRO A 77 -6.076 11.860 -23.340 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.139 11.689 -26.492 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.239 11.057 -27.246 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.025 10.303 -26.233 1.00 0.00 C ATOM 0 HA PRO A 77 -4.961 10.005 -25.672 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.453 12.638 -26.057 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.288 11.901 -27.139 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.855 11.805 -27.745 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.855 10.393 -28.020 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.832 10.909 -25.821 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.483 9.413 -26.665 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.990 11.596 -24.109 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.309 12.235 -22.986 1.00 0.00 C ATOM 1106 C ASP A 78 -3.668 13.715 -22.918 1.00 0.00 C ATOM 1107 O ASP A 78 -3.684 14.320 -21.844 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.802 12.066 -23.167 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.967 12.554 -22.003 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.650 13.756 -21.939 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.545 11.718 -21.164 1.00 0.00 O ATOM 0 H ASP A 78 -3.354 11.291 -24.846 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.624 11.767 -22.053 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.586 11.011 -23.334 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.495 12.601 -24.066 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.986 14.287 -24.073 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.375 15.678 -24.146 1.00 0.00 C ATOM 1118 C TRP A 79 -5.795 15.888 -23.619 1.00 0.00 C ATOM 1119 O TRP A 79 -6.201 17.006 -23.349 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.203 16.246 -25.571 1.00 0.00 C ATOM 1121 CG TRP A 79 -4.966 15.534 -26.649 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.461 14.627 -27.512 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.360 15.680 -26.987 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.433 14.193 -28.369 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.613 14.823 -28.065 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.417 16.450 -26.479 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -7.866 14.706 -28.647 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.662 16.330 -27.059 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -8.877 15.465 -28.133 1.00 0.00 C ATOM 0 H TRP A 79 -3.980 13.802 -24.970 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.702 16.239 -23.498 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.508 17.292 -25.565 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.143 16.225 -25.826 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.434 14.292 -27.524 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.302 13.510 -29.115 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.259 17.124 -25.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.036 14.038 -29.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.485 16.915 -26.676 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.864 15.395 -28.566 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.545 14.811 -23.491 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.857 14.884 -22.925 1.00 0.00 C ATOM 1142 C LEU A 80 -7.671 14.748 -21.437 1.00 0.00 C ATOM 1143 O LEU A 80 -7.451 13.654 -20.924 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.771 13.776 -23.474 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.224 13.821 -22.989 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.879 15.144 -23.343 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -11.024 12.669 -23.560 1.00 0.00 C ATOM 0 H LEU A 80 -6.257 13.875 -23.776 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.344 15.825 -23.182 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.767 13.832 -24.563 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.345 12.810 -23.203 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.210 13.726 -21.903 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.909 15.147 -22.986 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.330 15.959 -22.872 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.869 15.277 -24.425 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.051 12.725 -23.200 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.018 12.726 -24.648 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.580 11.725 -23.243 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.714 15.845 -20.762 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.342 15.880 -19.370 1.00 0.00 C ATOM 1161 C ALA A 81 -8.541 15.906 -18.481 1.00 0.00 C ATOM 1162 O ALA A 81 -9.485 16.638 -18.739 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.447 17.081 -19.090 1.00 0.00 C ATOM 0 H ALA A 81 -8.005 16.744 -21.147 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.788 14.967 -19.152 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.175 17.094 -18.035 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.544 17.011 -19.697 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.981 17.998 -19.338 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.513 15.094 -17.462 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.568 15.050 -16.491 1.00 0.00 C ATOM 1171 C ALA A 82 -9.027 15.405 -15.114 1.00 0.00 C ATOM 1172 O ALA A 82 -7.941 14.945 -14.725 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.233 13.682 -16.472 1.00 0.00 C ATOM 0 H ALA A 82 -7.752 14.440 -17.281 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.324 15.784 -16.769 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.029 13.675 -15.728 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.653 13.468 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.494 12.922 -16.220 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.761 16.238 -14.404 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.415 16.645 -13.061 1.00 0.00 C ATOM 1181 C GLU A 83 -10.602 16.416 -12.144 1.00 0.00 C ATOM 1182 O GLU A 83 -11.753 16.683 -12.538 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.041 18.129 -12.974 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.843 18.558 -13.779 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.411 19.958 -13.417 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.139 20.945 -13.715 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -6.322 20.105 -12.827 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.625 16.655 -14.750 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.551 16.050 -12.763 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.900 18.719 -13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.858 18.376 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.019 17.865 -13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.081 18.512 -14.842 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.354 15.913 -10.933 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.386 15.703 -9.924 1.00 0.00 C ATOM 1196 C PRO A 84 -12.015 17.030 -9.510 1.00 0.00 C ATOM 1197 O PRO A 84 -11.311 17.977 -9.127 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.600 15.079 -8.761 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.199 15.480 -8.986 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.038 15.470 -10.453 1.00 0.00 C ATOM 0 HA PRO A 84 -12.212 15.081 -10.269 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.964 15.441 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.703 13.994 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.999 16.468 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.507 14.788 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.243 16.142 -10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.786 14.477 -10.825 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.305 17.119 -9.601 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.981 18.343 -9.321 1.00 0.00 C ATOM 1210 C TYR A 85 -14.641 18.275 -7.954 1.00 0.00 C ATOM 1211 O TYR A 85 -15.784 17.751 -7.851 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.006 18.656 -10.409 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.461 20.099 -10.438 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.531 21.124 -10.520 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.806 20.437 -10.429 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -14.919 22.437 -10.590 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.207 21.759 -10.493 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.253 22.755 -10.577 1.00 0.00 C ATOM 1219 OH TYR A 85 -16.636 24.081 -10.670 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.020 18.727 -6.971 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.916 16.348 -9.870 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.250 19.151 -9.310 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.578 18.402 -11.379 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.876 18.015 -10.267 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.478 20.883 -10.529 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.551 19.657 -10.371 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.176 23.219 -10.655 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.257 22.011 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.614 24.141 -10.648 1.00 0.00 H new TER 1230 TYR A 85