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= 0.778 K(o=2.6,f=-8.5!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 167:sc= 1.86 (180deg=1.13) USER MOD Single : A 7 SER OG : rot 31:sc= 0.327 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.2) USER MOD Single : A 18 MET CE :methyl -164:sc= -0.14 (180deg=-0.538) USER MOD Single : A 27 TYR OH : rot 110:sc= -0.324 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.0172 F(o=-0.75,f=-0.017) USER MOD Single : A 35 THR OG1 : rot -44:sc= 0.415 USER MOD Single : A 40 MET CE :methyl 167:sc= -0.193 (180deg=-0.531) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -63:sc= 0.251 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.14) USER MOD Single : A 64 GLN : amide:sc= -1.43! K(o=-1.4!,f=-2.5) USER MOD Single : A 71 THR OG1 : rot 160:sc= 1.27 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc=-0.00182 (180deg=-0.0653) 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 -10.157 -13.358 1.938 1.00 0.00 N ATOM 2 CA SER A 7 -11.471 -13.491 1.389 1.00 0.00 C ATOM 3 C SER A 7 -11.644 -12.502 0.243 1.00 0.00 C ATOM 4 O SER A 7 -11.467 -11.303 0.429 1.00 0.00 O ATOM 5 CB SER A 7 -12.461 -13.215 2.490 1.00 0.00 C ATOM 6 OG SER A 7 -12.141 -13.998 3.628 1.00 0.00 O ATOM 0 HA SER A 7 -11.631 -14.495 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.446 -12.156 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.471 -13.445 2.150 1.00 0.00 H new ATOM 0 HG SER A 7 -11.171 -14.135 3.669 1.00 0.00 H new ATOM 12 N GLY A 8 -12.008 -12.992 -0.927 1.00 0.00 N ATOM 13 CA GLY A 8 -12.146 -12.136 -2.087 1.00 0.00 C ATOM 14 C GLY A 8 -13.493 -11.447 -2.165 1.00 0.00 C ATOM 15 O GLY A 8 -14.131 -11.433 -3.207 1.00 0.00 O ATOM 0 H GLY A 8 -12.213 -13.977 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.360 -11.381 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.997 -12.730 -2.989 1.00 0.00 H new ATOM 19 N ARG A 9 -13.921 -10.879 -1.069 1.00 0.00 N ATOM 20 CA ARG A 9 -15.157 -10.142 -1.012 1.00 0.00 C ATOM 21 C ARG A 9 -14.858 -8.752 -0.551 1.00 0.00 C ATOM 22 O ARG A 9 -14.886 -8.451 0.642 1.00 0.00 O ATOM 23 CB ARG A 9 -16.183 -10.795 -0.106 1.00 0.00 C ATOM 24 CG ARG A 9 -16.690 -12.129 -0.610 1.00 0.00 C ATOM 25 CD ARG A 9 -17.777 -12.646 0.289 1.00 0.00 C ATOM 26 NE ARG A 9 -18.955 -11.768 0.289 1.00 0.00 N ATOM 27 CZ ARG A 9 -20.010 -11.879 1.104 1.00 0.00 C ATOM 28 NH1 ARG A 9 -20.074 -12.861 2.004 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -20.999 -10.996 1.014 1.00 0.00 N ATOM 0 H ARG A 9 -13.418 -10.915 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.597 -10.128 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.744 -10.935 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.029 -10.118 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.069 -12.021 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.870 -12.846 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.070 -13.645 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.394 -12.738 1.305 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.970 -11.008 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.314 -13.537 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.883 -12.936 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.949 -10.243 0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.808 -11.072 1.631 1.00 0.00 H new ATOM 43 N GLU A 10 -14.481 -7.933 -1.471 1.00 0.00 N ATOM 44 CA GLU A 10 -14.058 -6.608 -1.165 1.00 0.00 C ATOM 45 C GLU A 10 -15.114 -5.583 -1.490 1.00 0.00 C ATOM 46 O GLU A 10 -15.830 -5.685 -2.498 1.00 0.00 O ATOM 47 CB GLU A 10 -12.760 -6.286 -1.888 1.00 0.00 C ATOM 48 CG GLU A 10 -11.589 -7.139 -1.441 1.00 0.00 C ATOM 49 CD GLU A 10 -10.332 -6.814 -2.186 1.00 0.00 C ATOM 50 OE1 GLU A 10 -9.636 -5.839 -1.821 1.00 0.00 O1- ATOM 51 OE2 GLU A 10 -10.011 -7.519 -3.157 1.00 0.00 O ATOM 0 H GLU A 10 -14.457 -8.164 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.887 -6.562 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.908 -6.420 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.516 -5.236 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.424 -6.994 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.833 -8.191 -1.586 1.00 0.00 H new ATOM 58 N ASN A 11 -15.221 -4.635 -0.616 1.00 0.00 N ATOM 59 CA ASN A 11 -16.079 -3.489 -0.749 1.00 0.00 C ATOM 60 C ASN A 11 -15.690 -2.503 0.318 1.00 0.00 C ATOM 61 O ASN A 11 -16.062 -2.655 1.481 1.00 0.00 O ATOM 62 CB ASN A 11 -17.574 -3.836 -0.611 1.00 0.00 C ATOM 63 CG ASN A 11 -18.455 -2.608 -0.807 1.00 0.00 C ATOM 64 OD1 ASN A 11 -18.094 -1.678 -1.536 1.00 0.00 O ATOM 65 ND2 ASN A 11 -19.603 -2.588 -0.189 1.00 0.00 N ATOM 0 H ASN A 11 -14.689 -4.633 0.254 1.00 0.00 H new ATOM 0 HA ASN A 11 -15.950 -3.077 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -17.841 -4.597 -1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.759 -4.264 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -20.229 -1.790 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -19.875 -3.370 0.407 1.00 0.00 H new ATOM 72 N LEU A 12 -14.875 -1.553 -0.046 1.00 0.00 N ATOM 73 CA LEU A 12 -14.437 -0.545 0.895 1.00 0.00 C ATOM 74 C LEU A 12 -15.489 0.521 0.985 1.00 0.00 C ATOM 75 O LEU A 12 -15.566 1.424 0.145 1.00 0.00 O ATOM 76 CB LEU A 12 -13.055 0.033 0.528 1.00 0.00 C ATOM 77 CG LEU A 12 -11.839 -0.901 0.735 1.00 0.00 C ATOM 78 CD1 LEU A 12 -11.865 -2.111 -0.188 1.00 0.00 C ATOM 79 CD2 LEU A 12 -10.545 -0.145 0.565 1.00 0.00 C ATOM 0 H LEU A 12 -14.497 -1.450 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.309 -1.005 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.079 0.335 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.896 0.936 1.117 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.905 -1.273 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.989 -2.731 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.768 -2.692 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.857 -1.777 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.705 -0.823 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.498 0.274 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.496 0.661 1.297 1.00 0.00 H new ATOM 91 N TYR A 13 -16.315 0.413 1.983 1.00 0.00 N ATOM 92 CA TYR A 13 -17.490 1.233 2.067 1.00 0.00 C ATOM 93 C TYR A 13 -17.258 2.548 2.813 1.00 0.00 C ATOM 94 O TYR A 13 -17.789 2.757 3.893 1.00 0.00 O ATOM 95 CB TYR A 13 -18.694 0.437 2.624 1.00 0.00 C ATOM 96 CG TYR A 13 -20.025 1.164 2.527 1.00 0.00 C ATOM 97 CD1 TYR A 13 -20.650 1.330 1.301 1.00 0.00 C ATOM 98 CD2 TYR A 13 -20.645 1.695 3.654 1.00 0.00 C ATOM 99 CE1 TYR A 13 -21.850 1.998 1.196 1.00 0.00 C ATOM 100 CE2 TYR A 13 -21.845 2.367 3.556 1.00 0.00 C ATOM 101 CZ TYR A 13 -22.442 2.514 2.324 1.00 0.00 C ATOM 102 OH TYR A 13 -23.633 3.184 2.221 1.00 0.00 O ATOM 0 H TYR A 13 -16.196 -0.240 2.757 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.738 1.525 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -18.770 -0.508 2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -18.502 0.194 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -20.188 0.928 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -20.179 1.579 4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -22.323 2.116 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -22.313 2.775 4.439 1.00 0.00 H new ATOM 0 HH TYR A 13 -23.917 3.484 3.109 1.00 0.00 H new ATOM 112 N PHE A 14 -16.373 3.372 2.238 1.00 0.00 N ATOM 113 CA PHE A 14 -16.102 4.796 2.618 1.00 0.00 C ATOM 114 C PHE A 14 -15.600 5.061 4.074 1.00 0.00 C ATOM 115 O PHE A 14 -14.744 5.920 4.288 1.00 0.00 O ATOM 116 CB PHE A 14 -17.319 5.675 2.288 1.00 0.00 C ATOM 117 CG PHE A 14 -17.797 5.519 0.864 1.00 0.00 C ATOM 118 CD1 PHE A 14 -17.067 6.035 -0.197 1.00 0.00 C ATOM 119 CD2 PHE A 14 -18.965 4.828 0.589 1.00 0.00 C ATOM 120 CE1 PHE A 14 -17.499 5.873 -1.497 1.00 0.00 C ATOM 121 CE2 PHE A 14 -19.398 4.659 -0.707 1.00 0.00 C ATOM 122 CZ PHE A 14 -18.666 5.182 -1.752 1.00 0.00 C ATOM 0 H PHE A 14 -15.791 3.066 1.458 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.243 5.071 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.134 5.426 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.064 6.720 2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.149 6.570 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.544 4.416 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.925 6.286 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -20.311 4.117 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.006 5.051 -2.769 1.00 0.00 H new ATOM 132 N GLN A 15 -16.101 4.335 5.034 1.00 0.00 N ATOM 133 CA GLN A 15 -15.781 4.510 6.414 1.00 0.00 C ATOM 134 C GLN A 15 -14.454 3.853 6.697 1.00 0.00 C ATOM 135 O GLN A 15 -14.354 2.660 6.987 1.00 0.00 O ATOM 136 CB GLN A 15 -16.899 3.962 7.300 1.00 0.00 C ATOM 137 CG GLN A 15 -16.745 4.287 8.769 1.00 0.00 C ATOM 138 CD GLN A 15 -17.941 3.845 9.569 1.00 0.00 C ATOM 139 OE1 GLN A 15 -18.907 4.597 9.729 1.00 0.00 O ATOM 140 NE2 GLN A 15 -17.905 2.652 10.072 1.00 0.00 N ATOM 0 H GLN A 15 -16.766 3.580 4.866 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.694 5.572 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -17.852 4.359 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.942 2.879 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.849 3.802 9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.603 5.361 8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.090 2.058 9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.692 2.306 10.621 1.00 0.00 H new ATOM 149 N GLY A 16 -13.464 4.628 6.468 1.00 0.00 N ATOM 150 CA GLY A 16 -12.091 4.222 6.633 1.00 0.00 C ATOM 151 C GLY A 16 -11.397 4.188 5.292 1.00 0.00 C ATOM 152 O GLY A 16 -10.328 3.602 5.133 1.00 0.00 O ATOM 0 H GLY A 16 -13.571 5.592 6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.577 4.913 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.048 3.238 7.099 1.00 0.00 H new ATOM 156 N HIS A 17 -12.021 4.827 4.328 1.00 0.00 N ATOM 157 CA HIS A 17 -11.561 4.895 2.959 1.00 0.00 C ATOM 158 C HIS A 17 -11.812 6.329 2.497 1.00 0.00 C ATOM 159 O HIS A 17 -12.448 7.086 3.227 1.00 0.00 O ATOM 160 CB HIS A 17 -12.377 3.861 2.124 1.00 0.00 C ATOM 161 CG HIS A 17 -12.062 3.775 0.651 1.00 0.00 C ATOM 162 ND1 HIS A 17 -10.943 3.167 0.128 1.00 0.00 N ATOM 163 CD2 HIS A 17 -12.771 4.222 -0.416 1.00 0.00 C ATOM 164 CE1 HIS A 17 -11.003 3.258 -1.202 1.00 0.00 C ATOM 165 NE2 HIS A 17 -12.097 3.892 -1.584 1.00 0.00 N ATOM 0 H HIS A 17 -12.894 5.332 4.481 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.504 4.655 2.844 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.224 2.875 2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.436 4.097 2.232 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.711 4.751 -0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -10.256 2.865 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.387 4.097 -2.540 1.00 0.00 H new ATOM 173 N MET A 18 -11.305 6.719 1.342 1.00 0.00 N ATOM 174 CA MET A 18 -11.558 8.064 0.838 1.00 0.00 C ATOM 175 C MET A 18 -13.042 8.134 0.472 1.00 0.00 C ATOM 176 O MET A 18 -13.507 7.381 -0.375 1.00 0.00 O ATOM 177 CB MET A 18 -10.681 8.361 -0.388 1.00 0.00 C ATOM 178 CG MET A 18 -10.626 9.836 -0.773 1.00 0.00 C ATOM 179 SD MET A 18 -9.620 10.164 -2.256 1.00 0.00 S ATOM 180 CE MET A 18 -8.030 9.488 -1.765 1.00 0.00 C ATOM 0 H MET A 18 -10.723 6.136 0.740 1.00 0.00 H new ATOM 0 HA MET A 18 -11.312 8.810 1.593 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.668 8.010 -0.190 1.00 0.00 H new ATOM 0 HB3 MET A 18 -11.056 7.789 -1.237 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.640 10.196 -0.945 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.222 10.407 0.063 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.254 9.860 -2.434 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.805 9.794 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.065 8.400 -1.819 1.00 0.00 H new ATOM 190 N ALA A 19 -13.770 9.026 1.109 1.00 0.00 N ATOM 191 CA ALA A 19 -15.235 9.087 1.010 1.00 0.00 C ATOM 192 C ALA A 19 -15.758 9.730 -0.273 1.00 0.00 C ATOM 193 O ALA A 19 -16.918 10.160 -0.321 1.00 0.00 O ATOM 194 CB ALA A 19 -15.802 9.794 2.221 1.00 0.00 C ATOM 0 H ALA A 19 -13.370 9.740 1.718 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.577 8.052 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.888 9.836 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.525 9.249 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.402 10.807 2.271 1.00 0.00 H new ATOM 200 N ALA A 20 -14.950 9.682 -1.305 1.00 0.00 N ATOM 201 CA ALA A 20 -15.228 10.291 -2.607 1.00 0.00 C ATOM 202 C ALA A 20 -15.537 11.796 -2.490 1.00 0.00 C ATOM 203 O ALA A 20 -16.690 12.200 -2.403 1.00 0.00 O ATOM 204 CB ALA A 20 -16.332 9.550 -3.367 1.00 0.00 C ATOM 0 H ALA A 20 -14.049 9.205 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.314 10.195 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.504 10.038 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.028 8.517 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.251 9.567 -2.782 1.00 0.00 H new ATOM 210 N PRO A 21 -14.497 12.641 -2.441 1.00 0.00 N ATOM 211 CA PRO A 21 -14.676 14.086 -2.310 1.00 0.00 C ATOM 212 C PRO A 21 -15.007 14.749 -3.644 1.00 0.00 C ATOM 213 O PRO A 21 -15.502 15.881 -3.685 1.00 0.00 O ATOM 214 CB PRO A 21 -13.314 14.560 -1.804 1.00 0.00 C ATOM 215 CG PRO A 21 -12.333 13.573 -2.347 1.00 0.00 C ATOM 216 CD PRO A 21 -13.066 12.261 -2.467 1.00 0.00 C ATOM 0 HA PRO A 21 -15.506 14.340 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.093 15.569 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.285 14.586 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.955 13.896 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.472 13.477 -1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.808 11.744 -3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.817 11.589 -1.645 1.00 0.00 H new ATOM 224 N ALA A 22 -14.747 14.032 -4.715 1.00 0.00 N ATOM 225 CA ALA A 22 -14.944 14.534 -6.045 1.00 0.00 C ATOM 226 C ALA A 22 -16.361 14.280 -6.499 1.00 0.00 C ATOM 227 O ALA A 22 -16.922 13.194 -6.283 1.00 0.00 O ATOM 228 CB ALA A 22 -13.950 13.905 -7.010 1.00 0.00 C ATOM 0 H ALA A 22 -14.390 13.077 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.773 15.610 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.117 14.299 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.935 14.141 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.086 12.823 -7.018 1.00 0.00 H new ATOM 234 N ARG A 23 -16.933 15.274 -7.096 1.00 0.00 N ATOM 235 CA ARG A 23 -18.283 15.213 -7.603 1.00 0.00 C ATOM 236 C ARG A 23 -18.221 14.838 -9.058 1.00 0.00 C ATOM 237 O ARG A 23 -18.902 13.913 -9.533 1.00 0.00 O ATOM 238 CB ARG A 23 -18.985 16.586 -7.480 1.00 0.00 C ATOM 239 CG ARG A 23 -19.415 17.034 -6.079 1.00 0.00 C ATOM 240 CD ARG A 23 -18.271 17.162 -5.075 1.00 0.00 C ATOM 241 NE ARG A 23 -17.217 18.102 -5.499 1.00 0.00 N ATOM 242 CZ ARG A 23 -17.004 19.300 -4.963 1.00 0.00 C ATOM 243 NH1 ARG A 23 -17.905 19.848 -4.156 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -15.903 19.953 -5.253 1.00 0.00 N ATOM 0 H ARG A 23 -16.475 16.172 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.846 14.480 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.315 17.344 -7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.871 16.570 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.921 17.996 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.144 16.322 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.674 17.489 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.827 16.179 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.605 17.811 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.769 19.349 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.733 20.767 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.217 19.541 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.733 20.872 -4.845 1.00 0.00 H new ATOM 258 N PHE A 24 -17.379 15.538 -9.756 1.00 0.00 N ATOM 259 CA PHE A 24 -17.221 15.366 -11.162 1.00 0.00 C ATOM 260 C PHE A 24 -15.757 15.343 -11.466 1.00 0.00 C ATOM 261 O PHE A 24 -14.934 15.599 -10.595 1.00 0.00 O ATOM 262 CB PHE A 24 -17.811 16.570 -11.940 1.00 0.00 C ATOM 263 CG PHE A 24 -19.246 16.906 -11.671 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.262 16.286 -12.369 1.00 0.00 C ATOM 265 CD2 PHE A 24 -19.573 17.865 -10.733 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.577 16.613 -12.134 1.00 0.00 C ATOM 267 CE2 PHE A 24 -20.882 18.194 -10.491 1.00 0.00 C ATOM 268 CZ PHE A 24 -21.886 17.568 -11.193 1.00 0.00 C ATOM 0 H PHE A 24 -16.774 16.255 -9.355 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.729 14.447 -11.455 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.208 17.449 -11.715 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.702 16.373 -13.006 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -20.022 15.536 -13.108 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.788 18.362 -10.183 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.364 16.122 -12.686 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -21.124 18.943 -9.751 1.00 0.00 H new ATOM 0 HZ PHE A 24 -22.918 17.826 -11.005 1.00 0.00 H new ATOM 278 N CYS A 25 -15.444 15.009 -12.656 1.00 0.00 N ATOM 279 CA CYS A 25 -14.143 15.228 -13.166 1.00 0.00 C ATOM 280 C CYS A 25 -14.287 16.204 -14.300 1.00 0.00 C ATOM 281 O CYS A 25 -15.222 16.085 -15.122 1.00 0.00 O ATOM 282 CB CYS A 25 -13.484 13.942 -13.642 1.00 0.00 C ATOM 283 SG CYS A 25 -13.036 12.782 -12.320 1.00 0.00 S ATOM 0 H CYS A 25 -16.088 14.571 -13.314 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.496 15.618 -12.380 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.159 13.439 -14.334 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -12.585 14.197 -14.203 1.00 0.00 H new ATOM 288 N VAL A 26 -13.445 17.184 -14.310 1.00 0.00 N ATOM 289 CA VAL A 26 -13.456 18.206 -15.312 1.00 0.00 C ATOM 290 C VAL A 26 -12.536 17.758 -16.420 1.00 0.00 C ATOM 291 O VAL A 26 -11.355 17.507 -16.180 1.00 0.00 O ATOM 292 CB VAL A 26 -12.923 19.542 -14.736 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.243 20.689 -15.656 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.448 19.805 -13.331 1.00 0.00 C ATOM 0 H VAL A 26 -12.714 17.302 -13.609 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.474 18.364 -15.669 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.839 19.455 -14.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.859 21.616 -15.230 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.779 20.517 -16.627 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.323 20.767 -15.778 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.050 20.751 -12.965 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.537 19.853 -13.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.134 18.999 -12.668 1.00 0.00 H new ATOM 304 N TYR A 27 -13.075 17.598 -17.599 1.00 0.00 N ATOM 305 CA TYR A 27 -12.279 17.176 -18.725 1.00 0.00 C ATOM 306 C TYR A 27 -11.949 18.325 -19.617 1.00 0.00 C ATOM 307 O TYR A 27 -12.791 19.217 -19.858 1.00 0.00 O ATOM 308 CB TYR A 27 -12.950 16.070 -19.530 1.00 0.00 C ATOM 309 CG TYR A 27 -13.095 14.776 -18.775 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.150 14.569 -17.906 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.169 13.764 -18.926 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.273 13.392 -17.209 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.291 12.584 -18.234 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.348 12.404 -17.373 1.00 0.00 C ATOM 315 OH TYR A 27 -13.473 11.227 -16.671 1.00 0.00 O ATOM 0 H TYR A 27 -14.062 17.753 -17.807 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.355 16.772 -18.311 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -13.937 16.409 -19.845 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.371 15.889 -20.436 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.889 15.345 -17.773 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.335 13.902 -19.599 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.102 13.249 -16.532 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.560 11.800 -18.366 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.713 10.503 -17.286 1.00 0.00 H new ATOM 325 N TYR A 28 -10.741 18.324 -20.092 1.00 0.00 N ATOM 326 CA TYR A 28 -10.268 19.329 -20.990 1.00 0.00 C ATOM 327 C TYR A 28 -9.598 18.667 -22.174 1.00 0.00 C ATOM 328 O TYR A 28 -8.997 17.589 -22.042 1.00 0.00 O ATOM 329 CB TYR A 28 -9.219 20.223 -20.339 1.00 0.00 C ATOM 330 CG TYR A 28 -9.567 20.857 -19.019 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.224 22.072 -18.960 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.185 20.259 -17.829 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.496 22.670 -17.753 1.00 0.00 C ATOM 334 CE2 TYR A 28 -9.447 20.854 -16.621 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.100 22.057 -16.587 1.00 0.00 C ATOM 336 OH TYR A 28 -10.352 22.656 -15.383 1.00 0.00 O ATOM 0 H TYR A 28 -10.046 17.613 -19.862 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.130 19.927 -21.285 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.314 19.632 -20.200 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.975 21.020 -21.041 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.528 22.558 -19.875 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.672 19.309 -17.853 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.017 23.615 -17.720 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.140 20.376 -15.702 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.009 22.092 -14.659 1.00 0.00 H new ATOM 346 N ASP A 29 -9.722 19.291 -23.304 1.00 0.00 N ATOM 347 CA ASP A 29 -9.028 18.902 -24.508 1.00 0.00 C ATOM 348 C ASP A 29 -7.708 19.616 -24.482 1.00 0.00 C ATOM 349 O ASP A 29 -7.632 20.842 -24.704 1.00 0.00 O ATOM 350 CB ASP A 29 -9.843 19.324 -25.738 1.00 0.00 C ATOM 351 CG ASP A 29 -9.193 19.083 -27.101 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.042 18.595 -27.189 1.00 0.00 O1- ATOM 353 OD2 ASP A 29 -9.828 19.441 -28.119 1.00 0.00 O ATOM 0 H ASP A 29 -10.322 20.107 -23.425 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.888 17.822 -24.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.795 18.794 -25.715 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.068 20.387 -25.650 1.00 0.00 H new ATOM 358 N GLY A 30 -6.702 18.901 -24.138 1.00 0.00 N ATOM 359 CA GLY A 30 -5.413 19.456 -24.025 1.00 0.00 C ATOM 360 C GLY A 30 -4.958 19.411 -22.613 1.00 0.00 C ATOM 361 O GLY A 30 -5.660 19.815 -21.697 1.00 0.00 O ATOM 0 H GLY A 30 -6.754 17.905 -23.926 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.716 18.906 -24.657 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.420 20.487 -24.380 1.00 0.00 H new ATOM 365 N HIS A 31 -3.786 18.951 -22.457 1.00 0.00 N ATOM 366 CA HIS A 31 -3.170 18.749 -21.157 1.00 0.00 C ATOM 367 C HIS A 31 -2.331 19.961 -20.777 1.00 0.00 C ATOM 368 O HIS A 31 -1.696 19.989 -19.728 1.00 0.00 O ATOM 369 CB HIS A 31 -2.287 17.475 -21.192 1.00 0.00 C ATOM 370 CG HIS A 31 -1.180 17.523 -22.223 1.00 0.00 C ATOM 371 ND1 HIS A 31 -1.232 17.348 -23.565 1.00 0.00 N flip ATOM 372 CD2 HIS A 31 0.130 17.810 -21.933 1.00 0.00 C flip ATOM 373 CE1 HIS A 31 0.031 17.535 -24.098 1.00 0.00 C flip ATOM 374 NE2 HIS A 31 0.817 17.811 -23.071 1.00 0.00 N flip ATOM 0 H HIS A 31 -3.185 18.687 -23.238 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.951 18.622 -20.408 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.846 17.324 -20.207 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.921 16.611 -21.394 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.533 18.002 -20.950 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.316 17.469 -25.138 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.817 17.999 -23.143 1.00 0.00 H new ATOM 382 N LEU A 32 -2.354 20.957 -21.625 1.00 0.00 N ATOM 383 CA LEU A 32 -1.548 22.115 -21.450 1.00 0.00 C ATOM 384 C LEU A 32 -2.423 23.193 -20.802 1.00 0.00 C ATOM 385 O LEU A 32 -3.398 23.655 -21.412 1.00 0.00 O ATOM 386 CB LEU A 32 -1.004 22.544 -22.817 1.00 0.00 C ATOM 387 CG LEU A 32 0.142 23.538 -22.808 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.373 22.936 -22.136 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.483 23.981 -24.215 1.00 0.00 C ATOM 0 H LEU A 32 -2.940 20.977 -22.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.691 21.930 -20.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.677 21.651 -23.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.825 22.975 -23.391 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.177 24.410 -22.238 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.183 23.665 -22.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.132 22.668 -21.107 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.685 22.044 -22.680 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.307 24.693 -24.182 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.775 23.115 -24.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.388 24.454 -24.669 1.00 0.00 H new ATOM 401 N PRO A 33 -2.074 23.610 -19.570 1.00 0.00 N ATOM 402 CA PRO A 33 -2.920 24.472 -18.717 1.00 0.00 C ATOM 403 C PRO A 33 -3.298 25.833 -19.300 1.00 0.00 C ATOM 404 O PRO A 33 -4.224 26.457 -18.819 1.00 0.00 O ATOM 405 CB PRO A 33 -2.109 24.645 -17.428 1.00 0.00 C ATOM 406 CG PRO A 33 -0.716 24.297 -17.793 1.00 0.00 C ATOM 407 CD PRO A 33 -0.804 23.285 -18.901 1.00 0.00 C ATOM 0 HA PRO A 33 -3.890 23.994 -18.584 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.174 25.668 -17.056 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.483 23.994 -16.638 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.168 25.181 -18.118 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.181 23.888 -16.936 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.041 23.365 -19.585 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.805 22.266 -18.514 1.00 0.00 H new ATOM 415 N ALA A 34 -2.591 26.302 -20.300 1.00 0.00 N ATOM 416 CA ALA A 34 -2.932 27.592 -20.892 1.00 0.00 C ATOM 417 C ALA A 34 -3.853 27.471 -22.109 1.00 0.00 C ATOM 418 O ALA A 34 -4.485 28.448 -22.512 1.00 0.00 O ATOM 419 CB ALA A 34 -1.683 28.375 -21.251 1.00 0.00 C ATOM 0 H ALA A 34 -1.791 25.829 -20.720 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.487 28.137 -20.128 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.967 29.331 -21.690 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.092 28.549 -20.352 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.092 27.807 -21.969 1.00 0.00 H new ATOM 425 N THR A 35 -3.969 26.289 -22.683 1.00 0.00 N ATOM 426 CA THR A 35 -4.740 26.165 -23.911 1.00 0.00 C ATOM 427 C THR A 35 -5.669 24.945 -23.881 1.00 0.00 C ATOM 428 O THR A 35 -6.100 24.432 -24.923 1.00 0.00 O ATOM 429 CB THR A 35 -3.792 26.131 -25.140 1.00 0.00 C ATOM 430 OG1 THR A 35 -4.535 26.260 -26.364 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.965 24.850 -25.178 1.00 0.00 C ATOM 0 H THR A 35 -3.555 25.424 -22.335 1.00 0.00 H new ATOM 0 HA THR A 35 -5.381 27.042 -23.997 1.00 0.00 H new ATOM 0 HB THR A 35 -3.112 26.977 -25.042 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.331 25.690 -26.325 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.314 24.863 -26.052 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.359 24.781 -24.275 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.631 23.989 -25.234 1.00 0.00 H new ATOM 439 N ARG A 36 -5.989 24.516 -22.703 1.00 0.00 N ATOM 440 CA ARG A 36 -6.872 23.393 -22.519 1.00 0.00 C ATOM 441 C ARG A 36 -8.338 23.800 -22.832 1.00 0.00 C ATOM 442 O ARG A 36 -8.829 24.801 -22.335 1.00 0.00 O ATOM 443 CB ARG A 36 -6.705 22.802 -21.085 1.00 0.00 C ATOM 444 CG ARG A 36 -7.322 23.555 -19.860 1.00 0.00 C ATOM 445 CD ARG A 36 -6.812 24.982 -19.604 1.00 0.00 C ATOM 446 NE ARG A 36 -7.417 25.974 -20.501 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.225 27.295 -20.473 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.395 27.841 -19.603 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.878 28.068 -21.329 1.00 0.00 N ATOM 0 H ARG A 36 -5.649 24.930 -21.835 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.606 22.604 -23.222 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.127 21.797 -21.096 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.636 22.697 -20.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.403 23.598 -19.995 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.136 22.961 -18.965 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.022 25.258 -18.571 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.729 25.003 -19.725 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.048 25.618 -21.219 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.890 27.252 -18.941 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.258 28.852 -19.593 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.522 27.653 -22.003 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.737 29.078 -21.314 1.00 0.00 H new ATOM 463 N VAL A 37 -9.006 23.075 -23.674 1.00 0.00 N ATOM 464 CA VAL A 37 -10.380 23.427 -23.983 1.00 0.00 C ATOM 465 C VAL A 37 -11.297 22.712 -23.010 1.00 0.00 C ATOM 466 O VAL A 37 -11.306 21.494 -22.959 1.00 0.00 O ATOM 467 CB VAL A 37 -10.774 23.064 -25.444 1.00 0.00 C ATOM 468 CG1 VAL A 37 -12.182 23.533 -25.771 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.772 23.620 -26.444 1.00 0.00 C ATOM 0 H VAL A 37 -8.644 22.252 -24.156 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.481 24.508 -23.887 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.757 21.977 -25.523 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.426 23.264 -26.799 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.891 23.057 -25.093 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.241 24.615 -25.656 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.077 23.348 -27.454 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.734 24.706 -26.356 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.785 23.205 -26.239 1.00 0.00 H new ATOM 479 N LEU A 38 -12.016 23.471 -22.211 1.00 0.00 N ATOM 480 CA LEU A 38 -12.962 22.924 -21.245 1.00 0.00 C ATOM 481 C LEU A 38 -14.029 22.147 -22.000 1.00 0.00 C ATOM 482 O LEU A 38 -14.694 22.692 -22.882 1.00 0.00 O ATOM 483 CB LEU A 38 -13.565 24.088 -20.387 1.00 0.00 C ATOM 484 CG LEU A 38 -14.624 23.770 -19.280 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.011 23.477 -19.850 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.164 22.625 -18.405 1.00 0.00 C ATOM 0 H LEU A 38 -11.965 24.490 -22.208 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.468 22.239 -20.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.733 24.600 -19.904 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.019 24.799 -21.077 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.712 24.671 -18.673 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.702 23.264 -19.034 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.365 24.343 -20.409 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.957 22.614 -20.514 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.917 22.424 -17.644 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.019 21.735 -19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.223 22.891 -17.923 1.00 0.00 H new ATOM 498 N LEU A 39 -14.169 20.889 -21.685 1.00 0.00 N ATOM 499 CA LEU A 39 -15.111 20.064 -22.381 1.00 0.00 C ATOM 500 C LEU A 39 -16.396 19.892 -21.598 1.00 0.00 C ATOM 501 O LEU A 39 -17.447 20.365 -22.035 1.00 0.00 O ATOM 502 CB LEU A 39 -14.478 18.717 -22.713 1.00 0.00 C ATOM 503 CG LEU A 39 -13.238 18.781 -23.607 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.643 17.408 -23.787 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.579 19.396 -24.958 1.00 0.00 C ATOM 0 H LEU A 39 -13.642 20.415 -20.951 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.377 20.564 -23.313 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.208 18.221 -21.781 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.226 18.093 -23.201 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.498 19.416 -23.119 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.762 17.474 -24.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.357 17.005 -22.815 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.379 16.751 -24.250 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.683 19.432 -25.578 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.338 18.790 -25.452 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.960 20.407 -24.812 1.00 0.00 H new ATOM 517 N MET A 40 -16.317 19.275 -20.417 1.00 0.00 N ATOM 518 CA MET A 40 -17.502 18.996 -19.621 1.00 0.00 C ATOM 519 C MET A 40 -17.137 18.376 -18.304 1.00 0.00 C ATOM 520 O MET A 40 -15.988 17.946 -18.094 1.00 0.00 O ATOM 521 CB MET A 40 -18.514 18.096 -20.371 1.00 0.00 C ATOM 522 CG MET A 40 -17.965 16.751 -20.782 1.00 0.00 C ATOM 523 SD MET A 40 -19.189 15.704 -21.590 1.00 0.00 S ATOM 524 CE MET A 40 -19.535 16.675 -23.061 1.00 0.00 C ATOM 0 H MET A 40 -15.443 18.961 -19.996 1.00 0.00 H new ATOM 0 HA MET A 40 -17.985 19.956 -19.437 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.385 17.940 -19.735 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.859 18.622 -21.261 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.122 16.900 -21.456 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.581 16.237 -19.901 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.092 16.068 -23.775 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.126 17.549 -22.789 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.597 16.998 -23.513 1.00 0.00 H new ATOM 534 N TYR A 41 -18.097 18.370 -17.426 1.00 0.00 N ATOM 535 CA TYR A 41 -17.983 17.788 -16.113 1.00 0.00 C ATOM 536 C TYR A 41 -18.724 16.466 -16.103 1.00 0.00 C ATOM 537 O TYR A 41 -19.910 16.422 -16.415 1.00 0.00 O ATOM 538 CB TYR A 41 -18.615 18.717 -15.065 1.00 0.00 C ATOM 539 CG TYR A 41 -17.912 20.045 -14.851 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.029 21.091 -15.766 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.148 20.258 -13.717 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.399 22.302 -15.548 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.518 21.464 -13.496 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.643 22.479 -14.407 1.00 0.00 C ATOM 545 OH TYR A 41 -16.011 23.682 -14.176 1.00 0.00 O ATOM 0 H TYR A 41 -19.012 18.783 -17.606 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.930 17.641 -15.874 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.646 18.916 -15.358 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.651 18.188 -14.112 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.621 20.953 -16.659 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.043 19.465 -12.992 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.498 23.104 -16.265 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.926 21.608 -12.604 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.523 23.637 -13.328 1.00 0.00 H new ATOM 555 N VAL A 42 -18.047 15.402 -15.787 1.00 0.00 N ATOM 556 CA VAL A 42 -18.689 14.095 -15.741 1.00 0.00 C ATOM 557 C VAL A 42 -18.796 13.636 -14.308 1.00 0.00 C ATOM 558 O VAL A 42 -17.794 13.624 -13.589 1.00 0.00 O ATOM 559 CB VAL A 42 -17.911 13.036 -16.558 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.628 11.686 -16.552 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.680 13.517 -17.978 1.00 0.00 C ATOM 0 H VAL A 42 -17.054 15.399 -15.556 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.679 14.199 -16.184 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.941 12.896 -16.080 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.054 10.966 -17.135 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.723 11.329 -15.527 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.620 11.799 -16.990 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.131 12.757 -18.535 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.640 13.699 -18.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.102 14.441 -17.960 1.00 0.00 H new ATOM 571 N ARG A 43 -20.006 13.291 -13.889 1.00 0.00 N ATOM 572 CA ARG A 43 -20.274 12.821 -12.552 1.00 0.00 C ATOM 573 C ARG A 43 -19.549 11.502 -12.310 1.00 0.00 C ATOM 574 O ARG A 43 -19.580 10.592 -13.157 1.00 0.00 O ATOM 575 CB ARG A 43 -21.794 12.638 -12.356 1.00 0.00 C ATOM 576 CG ARG A 43 -22.213 12.176 -10.965 1.00 0.00 C ATOM 577 CD ARG A 43 -21.983 13.249 -9.913 1.00 0.00 C ATOM 578 NE ARG A 43 -22.225 12.750 -8.548 1.00 0.00 N ATOM 579 CZ ARG A 43 -22.536 13.506 -7.483 1.00 0.00 C ATOM 580 NH1 ARG A 43 -22.907 14.777 -7.644 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -22.541 12.962 -6.263 1.00 0.00 N ATOM 0 H ARG A 43 -20.835 13.333 -14.482 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.912 13.557 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.290 13.584 -12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.155 11.914 -13.087 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.268 11.901 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.653 11.280 -10.697 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -20.959 13.616 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.640 14.096 -10.110 1.00 0.00 H new ATOM 0 HE ARG A 43 -22.150 11.744 -8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -22.956 15.179 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -23.142 15.347 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.309 11.976 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.777 13.533 -5.451 1.00 0.00 H new ATOM 595 N ILE A 44 -18.875 11.427 -11.198 1.00 0.00 N ATOM 596 CA ILE A 44 -18.168 10.220 -10.788 1.00 0.00 C ATOM 597 C ILE A 44 -19.112 9.024 -10.758 1.00 0.00 C ATOM 598 O ILE A 44 -20.116 9.020 -10.046 1.00 0.00 O ATOM 599 CB ILE A 44 -17.492 10.404 -9.400 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.454 11.518 -9.476 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.856 9.105 -8.900 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.314 11.245 -10.431 1.00 0.00 C ATOM 0 H ILE A 44 -18.792 12.200 -10.537 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.387 10.031 -11.524 1.00 0.00 H new ATOM 0 HB ILE A 44 -18.264 10.680 -8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.950 12.441 -9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.045 11.686 -8.480 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.395 9.277 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.623 8.336 -8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.096 8.775 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.623 12.088 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.788 10.342 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.708 11.109 -11.438 1.00 0.00 H new ATOM 614 N GLY A 45 -18.803 8.057 -11.561 1.00 0.00 N ATOM 615 CA GLY A 45 -19.578 6.847 -11.642 1.00 0.00 C ATOM 616 C GLY A 45 -20.358 6.737 -12.934 1.00 0.00 C ATOM 617 O GLY A 45 -20.691 5.633 -13.377 1.00 0.00 O ATOM 0 H GLY A 45 -17.999 8.079 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.913 5.988 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.270 6.807 -10.801 1.00 0.00 H new ATOM 621 N THR A 46 -20.611 7.853 -13.565 1.00 0.00 N ATOM 622 CA THR A 46 -21.441 7.871 -14.738 1.00 0.00 C ATOM 623 C THR A 46 -20.618 7.910 -16.009 1.00 0.00 C ATOM 624 O THR A 46 -19.396 8.209 -15.991 1.00 0.00 O ATOM 625 CB THR A 46 -22.429 9.069 -14.711 1.00 0.00 C ATOM 626 OG1 THR A 46 -21.710 10.309 -14.638 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.374 8.970 -13.521 1.00 0.00 C ATOM 0 H THR A 46 -20.252 8.765 -13.284 1.00 0.00 H new ATOM 0 HA THR A 46 -22.014 6.944 -14.732 1.00 0.00 H new ATOM 0 HB THR A 46 -23.012 9.038 -15.631 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.202 10.344 -13.801 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.055 9.821 -13.526 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.948 8.046 -13.588 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.796 8.973 -12.597 1.00 0.00 H new ATOM 635 N THR A 47 -21.273 7.608 -17.087 1.00 0.00 N ATOM 636 CA THR A 47 -20.684 7.666 -18.378 1.00 0.00 C ATOM 637 C THR A 47 -21.075 8.950 -19.038 1.00 0.00 C ATOM 638 O THR A 47 -22.126 9.536 -18.724 1.00 0.00 O ATOM 639 CB THR A 47 -21.152 6.524 -19.289 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.591 6.465 -19.334 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.604 5.192 -18.860 1.00 0.00 C ATOM 0 H THR A 47 -22.248 7.310 -17.089 1.00 0.00 H new ATOM 0 HA THR A 47 -19.606 7.586 -18.239 1.00 0.00 H new ATOM 0 HB THR A 47 -20.766 6.739 -20.285 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.870 5.732 -19.921 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.964 4.416 -19.536 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.515 5.221 -18.887 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.936 4.972 -17.845 1.00 0.00 H new ATOM 649 N ALA A 48 -20.256 9.388 -19.919 1.00 0.00 N ATOM 650 CA ALA A 48 -20.530 10.580 -20.671 1.00 0.00 C ATOM 651 C ALA A 48 -19.851 10.527 -22.005 1.00 0.00 C ATOM 652 O ALA A 48 -18.809 9.878 -22.167 1.00 0.00 O ATOM 653 CB ALA A 48 -20.099 11.823 -19.918 1.00 0.00 C ATOM 0 H ALA A 48 -19.370 8.937 -20.149 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.608 10.633 -20.822 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.321 12.706 -20.517 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.638 11.881 -18.972 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.028 11.777 -19.723 1.00 0.00 H new ATOM 659 N THR A 49 -20.441 11.176 -22.949 1.00 0.00 N ATOM 660 CA THR A 49 -19.890 11.282 -24.243 1.00 0.00 C ATOM 661 C THR A 49 -19.124 12.593 -24.316 1.00 0.00 C ATOM 662 O THR A 49 -19.716 13.663 -24.263 1.00 0.00 O ATOM 663 CB THR A 49 -21.004 11.271 -25.303 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.849 10.118 -25.093 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.416 11.211 -26.708 1.00 0.00 C ATOM 0 H THR A 49 -21.335 11.654 -22.835 1.00 0.00 H new ATOM 0 HA THR A 49 -19.229 10.438 -24.438 1.00 0.00 H new ATOM 0 HB THR A 49 -21.585 12.188 -25.207 1.00 0.00 H new ATOM 0 HG1 THR A 49 -22.562 10.108 -25.766 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.223 11.204 -27.440 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.782 12.082 -26.875 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.821 10.304 -26.815 1.00 0.00 H new ATOM 673 N ILE A 50 -17.833 12.499 -24.412 1.00 0.00 N ATOM 674 CA ILE A 50 -16.988 13.655 -24.498 1.00 0.00 C ATOM 675 C ILE A 50 -16.791 13.897 -25.967 1.00 0.00 C ATOM 676 O ILE A 50 -16.814 12.964 -26.751 1.00 0.00 O ATOM 677 CB ILE A 50 -15.585 13.363 -23.906 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.665 12.695 -22.531 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.746 14.634 -23.834 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.299 13.539 -21.446 1.00 0.00 C ATOM 0 H ILE A 50 -17.330 11.612 -24.433 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.436 14.490 -23.960 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.097 12.661 -24.582 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.230 11.768 -22.626 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.657 12.423 -22.217 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.767 14.401 -23.415 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.623 15.046 -24.836 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.247 15.365 -23.200 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.310 12.980 -20.510 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.723 14.455 -21.315 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.321 13.790 -21.731 1.00 0.00 H new ATOM 692 N THR A 51 -16.678 15.097 -26.347 1.00 0.00 N ATOM 693 CA THR A 51 -16.436 15.420 -27.719 1.00 0.00 C ATOM 694 C THR A 51 -15.289 16.404 -27.796 1.00 0.00 C ATOM 695 O THR A 51 -15.388 17.527 -27.307 1.00 0.00 O ATOM 696 CB THR A 51 -17.713 15.975 -28.375 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.768 15.024 -28.154 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.523 16.167 -29.878 1.00 0.00 C ATOM 0 H THR A 51 -16.748 15.904 -25.727 1.00 0.00 H new ATOM 0 HA THR A 51 -16.160 14.521 -28.271 1.00 0.00 H new ATOM 0 HB THR A 51 -17.951 16.945 -27.938 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.596 15.354 -28.561 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.442 16.560 -30.314 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.708 16.869 -30.055 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.283 15.209 -30.340 1.00 0.00 H new ATOM 706 N ALA A 52 -14.196 15.961 -28.340 1.00 0.00 N ATOM 707 CA ALA A 52 -13.019 16.775 -28.448 1.00 0.00 C ATOM 708 C ALA A 52 -12.380 16.562 -29.795 1.00 0.00 C ATOM 709 O ALA A 52 -12.256 15.420 -30.254 1.00 0.00 O ATOM 710 CB ALA A 52 -12.055 16.450 -27.336 1.00 0.00 C ATOM 0 H ALA A 52 -14.093 15.021 -28.724 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.296 17.825 -28.356 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.167 17.075 -27.430 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.532 16.640 -26.374 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.768 15.400 -27.398 1.00 0.00 H new ATOM 716 N ARG A 53 -12.032 17.667 -30.444 1.00 0.00 N ATOM 717 CA ARG A 53 -11.431 17.690 -31.789 1.00 0.00 C ATOM 718 C ARG A 53 -12.345 17.051 -32.816 1.00 0.00 C ATOM 719 O ARG A 53 -11.910 16.574 -33.866 1.00 0.00 O ATOM 720 CB ARG A 53 -10.038 17.058 -31.814 1.00 0.00 C ATOM 721 CG ARG A 53 -9.017 17.842 -31.018 1.00 0.00 C ATOM 722 CD ARG A 53 -7.606 17.300 -31.213 1.00 0.00 C ATOM 723 NE ARG A 53 -7.390 15.969 -30.612 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.219 14.816 -31.305 1.00 0.00 C ATOM 725 NH1 ARG A 53 -7.450 14.775 -32.615 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.835 13.706 -30.679 1.00 0.00 N ATOM 0 H ARG A 53 -12.159 18.598 -30.048 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.307 18.739 -32.059 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.098 16.044 -31.418 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.700 16.977 -32.847 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.048 18.889 -31.319 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.277 17.806 -29.960 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.392 17.245 -32.280 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.894 18.003 -30.781 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.368 15.912 -29.594 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.758 15.615 -33.105 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.319 13.904 -33.129 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.668 13.720 -29.673 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.708 12.842 -31.205 1.00 0.00 H new ATOM 740 N GLY A 54 -13.613 17.094 -32.523 1.00 0.00 N ATOM 741 CA GLY A 54 -14.612 16.563 -33.408 1.00 0.00 C ATOM 742 C GLY A 54 -14.904 15.096 -33.166 1.00 0.00 C ATOM 743 O GLY A 54 -15.799 14.536 -33.788 1.00 0.00 O ATOM 0 H GLY A 54 -13.985 17.498 -31.663 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.533 17.134 -33.291 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.283 16.696 -34.439 1.00 0.00 H new ATOM 747 N HIS A 55 -14.173 14.471 -32.270 1.00 0.00 N ATOM 748 CA HIS A 55 -14.374 13.068 -31.993 1.00 0.00 C ATOM 749 C HIS A 55 -15.116 12.887 -30.707 1.00 0.00 C ATOM 750 O HIS A 55 -14.881 13.611 -29.734 1.00 0.00 O ATOM 751 CB HIS A 55 -13.053 12.290 -31.940 1.00 0.00 C ATOM 752 CG HIS A 55 -12.384 12.085 -33.264 1.00 0.00 C ATOM 753 ND1 HIS A 55 -12.363 10.879 -33.927 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.679 12.945 -34.032 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.663 11.034 -35.050 1.00 0.00 C ATOM 756 NE2 HIS A 55 -11.222 12.275 -35.164 1.00 0.00 N ATOM 0 H HIS A 55 -13.435 14.912 -31.722 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.965 12.666 -32.816 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.364 12.818 -31.280 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.241 11.315 -31.490 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.499 13.985 -33.804 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.480 10.251 -35.771 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.663 12.662 -35.924 1.00 0.00 H new ATOM 764 N GLU A 56 -16.017 11.957 -30.704 1.00 0.00 N ATOM 765 CA GLU A 56 -16.763 11.626 -29.534 1.00 0.00 C ATOM 766 C GLU A 56 -16.122 10.431 -28.861 1.00 0.00 C ATOM 767 O GLU A 56 -15.803 9.439 -29.518 1.00 0.00 O ATOM 768 CB GLU A 56 -18.212 11.330 -29.892 1.00 0.00 C ATOM 769 CG GLU A 56 -18.921 12.499 -30.551 1.00 0.00 C ATOM 770 CD GLU A 56 -20.315 12.161 -30.984 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.470 11.534 -32.050 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -21.282 12.506 -30.270 1.00 0.00 O ATOM 0 H GLU A 56 -16.258 11.400 -31.524 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.756 12.472 -28.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.245 10.471 -30.562 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.752 11.050 -28.988 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.954 13.337 -29.855 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.345 12.826 -31.417 1.00 0.00 H new ATOM 779 N PHE A 57 -15.895 10.550 -27.586 1.00 0.00 N ATOM 780 CA PHE A 57 -15.301 9.530 -26.789 1.00 0.00 C ATOM 781 C PHE A 57 -16.260 9.198 -25.668 1.00 0.00 C ATOM 782 O PHE A 57 -16.602 10.069 -24.865 1.00 0.00 O ATOM 783 CB PHE A 57 -13.988 10.043 -26.193 1.00 0.00 C ATOM 784 CG PHE A 57 -12.985 10.517 -27.209 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.138 9.621 -27.844 1.00 0.00 C ATOM 786 CD2 PHE A 57 -12.897 11.863 -27.534 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.222 10.062 -28.781 1.00 0.00 C ATOM 788 CE2 PHE A 57 -11.989 12.305 -28.467 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.149 11.406 -29.094 1.00 0.00 C ATOM 0 H PHE A 57 -16.128 11.391 -27.059 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.096 8.647 -27.395 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.210 10.863 -25.510 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.537 9.247 -25.600 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.194 8.569 -27.604 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.550 12.573 -27.048 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.564 9.357 -29.268 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.933 13.356 -28.710 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.436 11.753 -29.828 1.00 0.00 H new ATOM 799 N GLU A 58 -16.740 7.991 -25.643 1.00 0.00 N ATOM 800 CA GLU A 58 -17.632 7.570 -24.591 1.00 0.00 C ATOM 801 C GLU A 58 -16.798 7.078 -23.416 1.00 0.00 C ATOM 802 O GLU A 58 -16.150 6.019 -23.483 1.00 0.00 O ATOM 803 CB GLU A 58 -18.567 6.490 -25.107 1.00 0.00 C ATOM 804 CG GLU A 58 -19.644 6.093 -24.153 1.00 0.00 C ATOM 805 CD GLU A 58 -20.538 5.044 -24.735 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.398 5.383 -25.559 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -20.372 3.861 -24.406 1.00 0.00 O ATOM 0 H GLU A 58 -16.532 7.275 -26.339 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.250 8.403 -24.257 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.028 6.838 -26.031 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.978 5.608 -25.358 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.196 5.719 -23.232 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.236 6.969 -23.887 1.00 0.00 H new ATOM 814 N VAL A 59 -16.791 7.853 -22.366 1.00 0.00 N ATOM 815 CA VAL A 59 -15.957 7.584 -21.225 1.00 0.00 C ATOM 816 C VAL A 59 -16.815 7.296 -20.024 1.00 0.00 C ATOM 817 O VAL A 59 -18.002 7.655 -19.993 1.00 0.00 O ATOM 818 CB VAL A 59 -15.039 8.815 -20.877 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.276 9.325 -22.088 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.819 9.959 -20.217 1.00 0.00 C ATOM 0 H VAL A 59 -17.365 8.691 -22.277 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.332 6.727 -21.475 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.313 8.446 -20.153 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.657 10.174 -21.797 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.641 8.530 -22.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.982 9.637 -22.858 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.140 10.783 -19.997 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.601 10.304 -20.893 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.271 9.604 -19.291 1.00 0.00 H new ATOM 830 N GLU A 60 -16.247 6.650 -19.069 1.00 0.00 N ATOM 831 CA GLU A 60 -16.878 6.496 -17.803 1.00 0.00 C ATOM 832 C GLU A 60 -15.956 7.043 -16.757 1.00 0.00 C ATOM 833 O GLU A 60 -14.768 6.685 -16.713 1.00 0.00 O ATOM 834 CB GLU A 60 -17.243 5.039 -17.480 1.00 0.00 C ATOM 835 CG GLU A 60 -18.066 4.910 -16.188 1.00 0.00 C ATOM 836 CD GLU A 60 -18.572 3.514 -15.926 1.00 0.00 C ATOM 837 OE1 GLU A 60 -19.548 3.095 -16.570 1.00 0.00 O ATOM 838 OE2 GLU A 60 -18.035 2.815 -15.053 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.329 6.211 -19.142 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.821 7.041 -17.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.809 4.617 -18.311 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.330 4.452 -17.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.453 5.229 -15.345 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.916 5.591 -16.240 1.00 0.00 H new ATOM 845 N ALA A 61 -16.455 7.947 -15.957 1.00 0.00 N ATOM 846 CA ALA A 61 -15.674 8.442 -14.843 1.00 0.00 C ATOM 847 C ALA A 61 -15.714 7.378 -13.762 1.00 0.00 C ATOM 848 O ALA A 61 -16.612 7.362 -12.941 1.00 0.00 O ATOM 849 CB ALA A 61 -16.211 9.775 -14.334 1.00 0.00 C ATOM 0 H ALA A 61 -17.386 8.354 -16.049 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.646 8.631 -15.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.601 10.117 -13.498 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.174 10.512 -15.136 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.242 9.650 -14.004 1.00 0.00 H new ATOM 855 N LYS A 62 -14.776 6.458 -13.832 1.00 0.00 N ATOM 856 CA LYS A 62 -14.767 5.266 -12.994 1.00 0.00 C ATOM 857 C LYS A 62 -14.584 5.598 -11.541 1.00 0.00 C ATOM 858 O LYS A 62 -15.427 5.293 -10.702 1.00 0.00 O ATOM 859 CB LYS A 62 -13.605 4.345 -13.397 1.00 0.00 C ATOM 860 CG LYS A 62 -13.543 3.964 -14.866 1.00 0.00 C ATOM 861 CD LYS A 62 -14.749 3.164 -15.323 1.00 0.00 C ATOM 862 CE LYS A 62 -14.867 1.827 -14.604 1.00 0.00 C ATOM 863 NZ LYS A 62 -16.031 1.073 -15.075 1.00 0.00 N1+ ATOM 0 H LYS A 62 -13.988 6.512 -14.477 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.732 4.779 -13.138 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.669 4.834 -13.128 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.669 3.431 -12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.466 4.870 -15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.639 3.383 -15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.654 3.747 -15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.681 2.991 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.962 1.242 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.949 1.995 -13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.361 0.437 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.793 1.734 -15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.767 0.512 -15.910 1.00 0.00 H new ATOM 877 N ASP A 63 -13.512 6.252 -11.255 1.00 0.00 N ATOM 878 CA ASP A 63 -13.130 6.457 -9.898 1.00 0.00 C ATOM 879 C ASP A 63 -12.977 7.919 -9.596 1.00 0.00 C ATOM 880 O ASP A 63 -12.638 8.711 -10.486 1.00 0.00 O ATOM 881 CB ASP A 63 -11.835 5.700 -9.626 1.00 0.00 C ATOM 882 CG ASP A 63 -11.342 5.858 -8.232 1.00 0.00 C ATOM 883 OD1 ASP A 63 -11.841 5.167 -7.334 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.453 6.669 -8.014 1.00 0.00 O ATOM 0 H ASP A 63 -12.880 6.657 -11.946 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.912 6.075 -9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.992 4.641 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.067 6.048 -10.317 1.00 0.00 H new ATOM 889 N GLN A 64 -13.201 8.262 -8.338 1.00 0.00 N ATOM 890 CA GLN A 64 -13.129 9.629 -7.826 1.00 0.00 C ATOM 891 C GLN A 64 -11.718 10.224 -7.817 1.00 0.00 C ATOM 892 O GLN A 64 -11.519 11.328 -7.339 1.00 0.00 O ATOM 893 CB GLN A 64 -13.828 9.728 -6.449 1.00 0.00 C ATOM 894 CG GLN A 64 -13.440 8.647 -5.430 1.00 0.00 C ATOM 895 CD GLN A 64 -12.352 9.020 -4.426 1.00 0.00 C ATOM 896 OE1 GLN A 64 -12.359 8.515 -3.313 1.00 0.00 O ATOM 897 NE2 GLN A 64 -11.445 9.896 -4.770 1.00 0.00 N ATOM 0 H GLN A 64 -13.446 7.580 -7.620 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.674 10.255 -8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.606 10.704 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.906 9.685 -6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.334 8.364 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.111 7.764 -5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.459 10.304 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.723 10.171 -4.104 1.00 0.00 H new ATOM 906 N ASN A 65 -10.751 9.486 -8.302 1.00 0.00 N ATOM 907 CA ASN A 65 -9.403 10.021 -8.486 1.00 0.00 C ATOM 908 C ASN A 65 -9.245 10.371 -9.981 1.00 0.00 C ATOM 909 O ASN A 65 -8.154 10.585 -10.501 1.00 0.00 O ATOM 910 CB ASN A 65 -8.351 8.987 -8.003 1.00 0.00 C ATOM 911 CG ASN A 65 -6.904 9.487 -8.023 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.178 9.301 -8.991 1.00 0.00 O ATOM 913 ND2 ASN A 65 -6.486 10.122 -6.967 1.00 0.00 N ATOM 0 H ASN A 65 -10.861 8.511 -8.580 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.244 10.921 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.601 8.682 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.422 8.098 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.531 10.479 -6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.113 10.262 -6.175 1.00 0.00 H new ATOM 920 N CYS A 66 -10.388 10.437 -10.650 1.00 0.00 N ATOM 921 CA CYS A 66 -10.502 10.748 -12.065 1.00 0.00 C ATOM 922 C CYS A 66 -9.863 9.717 -12.938 1.00 0.00 C ATOM 923 O CYS A 66 -8.882 9.966 -13.646 1.00 0.00 O ATOM 924 CB CYS A 66 -10.079 12.172 -12.415 1.00 0.00 C ATOM 925 SG CYS A 66 -11.202 13.407 -11.724 1.00 0.00 S ATOM 0 H CYS A 66 -11.291 10.270 -10.206 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.569 10.708 -12.283 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.071 12.352 -12.042 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.043 12.282 -13.499 1.00 0.00 H new ATOM 930 N LYS A 67 -10.365 8.527 -12.807 1.00 0.00 N ATOM 931 CA LYS A 67 -9.953 7.435 -13.637 1.00 0.00 C ATOM 932 C LYS A 67 -10.868 7.352 -14.778 1.00 0.00 C ATOM 933 O LYS A 67 -12.018 6.925 -14.654 1.00 0.00 O ATOM 934 CB LYS A 67 -9.882 6.131 -12.878 1.00 0.00 C ATOM 935 CG LYS A 67 -8.590 5.807 -12.106 1.00 0.00 C ATOM 936 CD LYS A 67 -8.001 6.998 -11.402 1.00 0.00 C ATOM 937 CE LYS A 67 -6.933 7.613 -12.252 1.00 0.00 C ATOM 938 NZ LYS A 67 -6.335 8.808 -11.645 1.00 0.00 N1+ ATOM 0 H LYS A 67 -11.076 8.284 -12.117 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.939 7.620 -13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.708 6.115 -12.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.057 5.323 -13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.799 5.028 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.853 5.403 -12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.780 7.731 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.584 6.695 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.152 6.875 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.355 7.877 -13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.467 9.061 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.010 9.598 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.104 8.613 -10.650 1.00 0.00 H new ATOM 952 N VAL A 68 -10.393 7.834 -15.849 1.00 0.00 N ATOM 953 CA VAL A 68 -11.138 7.870 -17.051 1.00 0.00 C ATOM 954 C VAL A 68 -10.806 6.683 -17.944 1.00 0.00 C ATOM 955 O VAL A 68 -9.750 6.611 -18.598 1.00 0.00 O ATOM 956 CB VAL A 68 -11.024 9.238 -17.785 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.578 9.677 -17.965 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.768 9.207 -19.115 1.00 0.00 C ATOM 0 H VAL A 68 -9.455 8.226 -15.926 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.190 7.775 -16.783 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.500 9.985 -17.150 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.551 10.636 -18.482 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.104 9.777 -16.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.042 8.932 -18.554 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.673 10.175 -19.608 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.342 8.432 -19.752 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.822 8.992 -18.937 1.00 0.00 H new ATOM 968 N ILE A 69 -11.673 5.726 -17.882 1.00 0.00 N ATOM 969 CA ILE A 69 -11.608 4.556 -18.694 1.00 0.00 C ATOM 970 C ILE A 69 -12.872 4.558 -19.518 1.00 0.00 C ATOM 971 O ILE A 69 -13.937 4.919 -19.015 1.00 0.00 O ATOM 972 CB ILE A 69 -11.474 3.221 -17.854 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.086 3.093 -17.185 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.738 1.980 -18.700 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.850 3.965 -15.967 1.00 0.00 C ATOM 0 H ILE A 69 -12.470 5.737 -17.246 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.713 4.580 -19.315 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.236 3.284 -17.077 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.939 2.052 -16.896 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.324 3.328 -17.928 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.635 1.089 -18.081 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.749 2.025 -19.106 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.020 1.938 -19.519 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.845 3.790 -15.584 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.955 5.014 -16.244 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.580 3.719 -15.196 1.00 0.00 H new ATOM 987 N LEU A 70 -12.764 4.233 -20.775 1.00 0.00 N ATOM 988 CA LEU A 70 -13.902 4.255 -21.636 1.00 0.00 C ATOM 989 C LEU A 70 -14.776 3.072 -21.352 1.00 0.00 C ATOM 990 O LEU A 70 -14.407 2.146 -20.620 1.00 0.00 O ATOM 991 CB LEU A 70 -13.522 4.200 -23.116 1.00 0.00 C ATOM 992 CG LEU A 70 -12.407 5.099 -23.591 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.148 4.896 -25.075 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.684 6.546 -23.292 1.00 0.00 C ATOM 0 H LEU A 70 -11.893 3.949 -21.224 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.419 5.195 -21.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.247 3.172 -23.353 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.413 4.434 -23.699 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.509 4.821 -23.039 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.341 5.554 -25.397 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.865 3.859 -25.257 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.052 5.129 -25.637 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.856 7.157 -23.651 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.603 6.851 -23.792 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.794 6.681 -22.216 1.00 0.00 H new ATOM 1006 N THR A 71 -15.855 3.051 -22.024 1.00 0.00 N ATOM 1007 CA THR A 71 -16.834 1.997 -21.901 1.00 0.00 C ATOM 1008 C THR A 71 -16.348 0.770 -22.652 1.00 0.00 C ATOM 1009 O THR A 71 -16.777 -0.349 -22.416 1.00 0.00 O ATOM 1010 CB THR A 71 -18.164 2.481 -22.455 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.925 3.123 -23.718 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.809 3.467 -21.496 1.00 0.00 C ATOM 0 H THR A 71 -16.110 3.773 -22.698 1.00 0.00 H new ATOM 0 HA THR A 71 -16.971 1.730 -20.853 1.00 0.00 H new ATOM 0 HB THR A 71 -18.837 1.633 -22.582 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.760 3.160 -24.229 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.761 3.805 -21.907 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.980 2.981 -20.535 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.150 4.324 -21.357 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.396 1.015 -23.534 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.747 -0.025 -24.307 1.00 0.00 C ATOM 1022 C ASN A 72 -13.692 -0.714 -23.461 1.00 0.00 C ATOM 1023 O ASN A 72 -13.129 -1.722 -23.856 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.077 0.554 -25.562 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.038 1.246 -26.506 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.650 0.613 -27.359 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.151 2.548 -26.397 1.00 0.00 N ATOM 0 H ASN A 72 -15.049 1.953 -23.735 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.510 -0.740 -24.613 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.308 1.264 -25.257 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.573 -0.251 -26.097 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.761 3.062 -27.032 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.629 3.047 -25.677 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.386 -0.121 -22.315 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.426 -0.687 -21.414 1.00 0.00 C ATOM 1036 C GLY A 73 -11.053 -0.179 -21.704 1.00 0.00 C ATOM 1037 O GLY A 73 -10.061 -0.687 -21.181 1.00 0.00 O ATOM 0 H GLY A 73 -13.798 0.756 -21.998 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.698 -0.443 -20.387 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.440 -1.774 -21.498 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.997 0.845 -22.521 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.756 1.400 -22.951 1.00 0.00 C ATOM 1043 C LYS A 74 -9.520 2.670 -22.185 1.00 0.00 C ATOM 1044 O LYS A 74 -10.470 3.331 -21.793 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.807 1.682 -24.458 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.275 0.495 -25.311 1.00 0.00 C ATOM 1047 CD LYS A 74 -9.352 -0.711 -25.193 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.920 -1.927 -25.921 1.00 0.00 C ATOM 1049 NZ LYS A 74 -10.137 -1.683 -27.364 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.820 1.312 -22.903 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.941 0.701 -22.765 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.474 2.526 -24.635 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.815 1.985 -24.792 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.282 0.208 -25.007 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.333 0.803 -26.355 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.374 -0.463 -25.606 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.202 -0.953 -24.141 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.239 -2.769 -25.798 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.865 -2.212 -25.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.426 -2.569 -27.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.883 -0.969 -27.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.255 -1.340 -27.795 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.296 2.991 -21.952 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.965 4.180 -21.220 1.00 0.00 C ATOM 1065 C GLN A 75 -7.938 5.390 -22.131 1.00 0.00 C ATOM 1066 O GLN A 75 -7.740 5.279 -23.355 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.647 4.038 -20.462 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.660 2.935 -19.417 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.405 2.918 -18.586 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.329 3.575 -17.549 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.424 2.173 -19.010 1.00 0.00 N ATOM 0 H GLN A 75 -7.492 2.444 -22.259 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.749 4.328 -20.478 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.847 3.841 -21.176 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.414 4.985 -19.975 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.523 3.067 -18.764 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.778 1.971 -19.912 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.524 1.642 -19.875 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.556 2.121 -18.477 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.149 6.521 -21.528 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.212 7.793 -22.200 1.00 0.00 C ATOM 1082 C ALA A 76 -6.846 8.238 -22.726 1.00 0.00 C ATOM 1083 O ALA A 76 -5.796 7.832 -22.199 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.746 8.834 -21.244 1.00 0.00 C ATOM 0 H ALA A 76 -8.287 6.591 -20.520 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.875 7.683 -23.059 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.796 9.799 -21.748 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.744 8.546 -20.912 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.084 8.909 -20.381 1.00 0.00 H new ATOM 1090 N PRO A 77 -6.856 9.039 -23.797 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.648 9.629 -24.368 1.00 0.00 C ATOM 1092 C PRO A 77 -5.000 10.653 -23.437 1.00 0.00 C ATOM 1093 O PRO A 77 -5.673 11.284 -22.622 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.128 10.303 -25.649 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.612 10.392 -25.561 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.068 9.393 -24.549 1.00 0.00 C ATOM 0 HA PRO A 77 -4.882 8.873 -24.539 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.687 11.295 -25.752 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.827 9.728 -26.524 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.918 11.397 -25.271 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.065 10.188 -26.531 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.831 9.814 -23.894 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.506 8.517 -25.028 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.701 10.825 -23.606 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.848 11.703 -22.774 1.00 0.00 C ATOM 1106 C ASP A 78 -3.342 13.131 -22.756 1.00 0.00 C ATOM 1107 O ASP A 78 -3.315 13.807 -21.717 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.404 11.715 -23.307 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.724 10.376 -23.273 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.079 10.058 -22.256 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.809 9.624 -24.272 1.00 0.00 O ATOM 0 H ASP A 78 -3.180 10.350 -24.344 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.887 11.297 -21.763 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.411 12.081 -24.334 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.818 12.423 -22.720 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.795 13.579 -23.906 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.242 14.941 -24.098 1.00 0.00 C ATOM 1118 C TRP A 79 -5.592 15.211 -23.433 1.00 0.00 C ATOM 1119 O TRP A 79 -5.962 16.359 -23.226 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.282 15.283 -25.597 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.177 14.400 -26.398 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.811 13.294 -27.061 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.586 14.552 -26.612 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.890 12.735 -27.687 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.996 13.486 -27.418 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.537 15.479 -26.192 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.311 13.319 -27.820 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.838 15.313 -26.591 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.213 14.238 -27.395 1.00 0.00 C ATOM 0 H TRP A 79 -3.864 13.001 -24.744 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.520 15.594 -23.608 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.609 16.316 -25.715 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.271 15.220 -26.000 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.806 12.900 -27.096 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.871 11.893 -28.262 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.255 16.312 -25.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.606 12.490 -28.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.585 16.027 -26.277 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.248 14.134 -27.687 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.323 14.164 -23.115 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.589 14.327 -22.458 1.00 0.00 C ATOM 1142 C LEU A 80 -7.303 14.453 -20.986 1.00 0.00 C ATOM 1143 O LEU A 80 -6.888 13.490 -20.339 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.527 13.142 -22.750 1.00 0.00 C ATOM 1145 CG LEU A 80 -9.932 13.229 -22.134 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.675 14.458 -22.636 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.732 11.969 -22.426 1.00 0.00 C ATOM 0 H LEU A 80 -6.058 13.197 -23.303 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.103 15.215 -22.826 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.631 13.044 -23.831 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.050 12.230 -22.391 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.815 13.319 -21.054 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.666 14.494 -22.184 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.119 15.355 -22.364 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.773 14.406 -23.720 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.723 12.055 -21.979 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.830 11.842 -23.504 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.218 11.106 -22.004 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.484 15.624 -20.472 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.112 15.906 -19.121 1.00 0.00 C ATOM 1161 C ALA A 81 -8.314 15.853 -18.233 1.00 0.00 C ATOM 1162 O ALA A 81 -9.370 16.365 -18.594 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.434 17.265 -19.030 1.00 0.00 C ATOM 0 H ALA A 81 -7.893 16.413 -20.973 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.403 15.149 -18.787 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.157 17.465 -17.995 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.539 17.267 -19.652 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.120 18.038 -19.378 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.170 15.212 -17.103 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.234 15.134 -16.142 1.00 0.00 C ATOM 1171 C ALA A 82 -8.735 15.618 -14.803 1.00 0.00 C ATOM 1172 O ALA A 82 -7.699 15.156 -14.322 1.00 0.00 O ATOM 1173 CB ALA A 82 -9.736 13.705 -16.023 1.00 0.00 C ATOM 0 H ALA A 82 -7.314 14.731 -16.825 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.060 15.764 -16.472 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.542 13.662 -15.291 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.107 13.368 -16.991 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.920 13.058 -15.702 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.461 16.531 -14.217 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.140 17.094 -12.921 1.00 0.00 C ATOM 1181 C GLU A 83 -10.327 16.860 -11.993 1.00 0.00 C ATOM 1182 O GLU A 83 -11.467 17.108 -12.393 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.877 18.605 -13.058 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.714 18.964 -13.982 1.00 0.00 C ATOM 1185 CD GLU A 83 -6.345 18.651 -13.412 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -6.142 17.591 -12.802 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -5.432 19.500 -13.552 1.00 0.00 O ATOM 0 H GLU A 83 -10.310 16.916 -14.630 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.246 16.620 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.782 19.086 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.679 19.018 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.834 18.428 -14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.764 20.028 -14.213 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.099 16.329 -10.788 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.172 16.055 -9.826 1.00 0.00 C ATOM 1196 C PRO A 84 -11.867 17.329 -9.342 1.00 0.00 C ATOM 1197 O PRO A 84 -11.212 18.277 -8.878 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.429 15.357 -8.676 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.029 15.802 -8.811 1.00 0.00 C ATOM 1200 CD PRO A 84 -8.794 15.901 -10.269 1.00 0.00 C ATOM 0 HA PRO A 84 -11.975 15.458 -10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.843 15.639 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.509 14.273 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.872 16.763 -8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.343 15.092 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.011 16.622 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.485 14.946 -10.693 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.172 17.353 -9.467 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.942 18.478 -9.053 1.00 0.00 C ATOM 1210 C TYR A 85 -14.465 18.244 -7.642 1.00 0.00 C ATOM 1211 O TYR A 85 -15.452 17.476 -7.473 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.104 18.770 -10.026 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.903 20.016 -9.673 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -17.010 19.950 -8.833 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -15.539 21.255 -10.172 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -17.723 21.077 -8.498 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -16.251 22.393 -9.846 1.00 0.00 C ATOM 1218 CZ TYR A 85 -17.339 22.296 -9.006 1.00 0.00 C ATOM 1219 OH TYR A 85 -18.051 23.428 -8.672 1.00 0.00 O ATOM 1220 OXT TYR A 85 -13.931 18.853 -6.689 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.721 16.588 -9.860 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.295 19.355 -9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.703 18.880 -11.033 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.776 17.912 -10.043 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.316 18.993 -8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.684 21.333 -10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.577 21.006 -7.841 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -15.957 23.352 -10.247 1.00 0.00 H new ATOM 0 HH TYR A 85 -17.651 24.207 -9.112 1.00 0.00 H new TER 1230 TYR A 85