USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 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 71 THR OG1 : rot 160:sc= 1.44 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.273 K(o=1.2,f=-1.8!) USER MOD Set 2.1: A 13 TYR OH : rot -144:sc= 1.24 USER MOD Set 2.2: A 17 HIS : no HE2:sc= 0.465 K(o=1.7,f=-1.5) USER MOD Single : A 7 SER OG : rot 31:sc= 0.375 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 110:sc= 0 USER MOD Single : A 28 TYR OH : rot -131:sc= 1.02 USER MOD Single : A 31 HIS : no HD1:sc= -0.345 X(o=-0.34,f=0.0052) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 40 MET CE :methyl 166:sc= -0.0829 (180deg=-0.391) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -20:sc= -0.458! 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 USER MOD Single : A 55 HIS : no HD1:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -108:sc= 1.09 (180deg=-0.00402) USER MOD Single : A 64 GLN : amide:sc= -0.953 K(o=-0.95,f=-0.094) USER MOD Single : A 65 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.61) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc=-0.00748 (180deg=-0.0696) 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 -19.781 -16.633 7.663 1.00 0.00 N ATOM 2 CA SER A 7 -20.729 -15.784 6.998 1.00 0.00 C ATOM 3 C SER A 7 -20.124 -14.392 6.862 1.00 0.00 C ATOM 4 O SER A 7 -18.973 -14.175 7.286 1.00 0.00 O ATOM 5 CB SER A 7 -21.999 -15.757 7.827 1.00 0.00 C ATOM 6 OG SER A 7 -22.373 -17.088 8.171 1.00 0.00 O ATOM 0 HA SER A 7 -20.967 -16.153 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.843 -15.167 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 7 -22.801 -15.276 7.267 1.00 0.00 H new ATOM 0 HG SER A 7 -21.569 -17.641 8.260 1.00 0.00 H new ATOM 12 N GLY A 8 -20.858 -13.464 6.289 1.00 0.00 N ATOM 13 CA GLY A 8 -20.343 -12.146 6.111 1.00 0.00 C ATOM 14 C GLY A 8 -21.173 -11.134 6.831 1.00 0.00 C ATOM 15 O GLY A 8 -22.099 -10.563 6.265 1.00 0.00 O ATOM 0 H GLY A 8 -21.807 -13.607 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -19.317 -12.103 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -20.314 -11.906 5.048 1.00 0.00 H new ATOM 19 N ARG A 9 -20.890 -10.959 8.090 1.00 0.00 N ATOM 20 CA ARG A 9 -21.556 -9.992 8.900 1.00 0.00 C ATOM 21 C ARG A 9 -20.541 -9.228 9.679 1.00 0.00 C ATOM 22 O ARG A 9 -20.008 -9.705 10.683 1.00 0.00 O ATOM 23 CB ARG A 9 -22.606 -10.620 9.819 1.00 0.00 C ATOM 24 CG ARG A 9 -23.798 -11.168 9.070 1.00 0.00 C ATOM 25 CD ARG A 9 -24.852 -11.704 10.002 1.00 0.00 C ATOM 26 NE ARG A 9 -26.053 -12.095 9.263 1.00 0.00 N ATOM 27 CZ ARG A 9 -27.273 -12.208 9.783 1.00 0.00 C ATOM 28 NH1 ARG A 9 -27.460 -12.091 11.097 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -28.302 -12.466 8.993 1.00 0.00 N ATOM 0 H ARG A 9 -20.178 -11.495 8.586 1.00 0.00 H new ATOM 0 HA ARG A 9 -22.101 -9.313 8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -22.144 -11.424 10.392 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.947 -9.872 10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -24.229 -10.382 8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -23.471 -11.961 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -24.459 -12.563 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -25.107 -10.947 10.743 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.947 -12.297 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -26.665 -11.914 11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -28.398 -12.179 11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -28.159 -12.578 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -29.239 -12.553 9.388 1.00 0.00 H new ATOM 43 N GLU A 10 -20.202 -8.093 9.161 1.00 0.00 N ATOM 44 CA GLU A 10 -19.253 -7.218 9.786 1.00 0.00 C ATOM 45 C GLU A 10 -19.833 -6.601 11.039 1.00 0.00 C ATOM 46 O GLU A 10 -20.695 -5.724 10.978 1.00 0.00 O ATOM 47 CB GLU A 10 -18.761 -6.110 8.835 1.00 0.00 C ATOM 48 CG GLU A 10 -17.812 -6.551 7.708 1.00 0.00 C ATOM 49 CD GLU A 10 -18.418 -7.510 6.714 1.00 0.00 C ATOM 50 OE1 GLU A 10 -19.046 -7.053 5.727 1.00 0.00 O1- ATOM 51 OE2 GLU A 10 -18.247 -8.730 6.880 1.00 0.00 O ATOM 0 H GLU A 10 -20.578 -7.739 8.281 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.392 -7.831 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.632 -5.636 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.256 -5.349 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.467 -5.665 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.933 -7.017 8.153 1.00 0.00 H new ATOM 58 N ASN A 11 -19.379 -7.083 12.163 1.00 0.00 N ATOM 59 CA ASN A 11 -19.770 -6.546 13.463 1.00 0.00 C ATOM 60 C ASN A 11 -18.760 -5.497 13.876 1.00 0.00 C ATOM 61 O ASN A 11 -18.780 -4.954 14.987 1.00 0.00 O ATOM 62 CB ASN A 11 -19.887 -7.654 14.528 1.00 0.00 C ATOM 63 CG ASN A 11 -21.116 -8.551 14.363 1.00 0.00 C ATOM 64 OD1 ASN A 11 -21.626 -8.760 13.266 1.00 0.00 O ATOM 65 ND2 ASN A 11 -21.586 -9.101 15.453 1.00 0.00 N ATOM 0 H ASN A 11 -18.724 -7.863 12.217 1.00 0.00 H new ATOM 0 HA ASN A 11 -20.758 -6.093 13.379 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -18.991 -8.273 14.493 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.917 -7.193 15.515 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -22.395 -9.720 15.404 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.143 -8.911 16.352 1.00 0.00 H new ATOM 72 N LEU A 12 -17.870 -5.236 12.960 1.00 0.00 N ATOM 73 CA LEU A 12 -16.873 -4.236 13.072 1.00 0.00 C ATOM 74 C LEU A 12 -17.052 -3.298 11.896 1.00 0.00 C ATOM 75 O LEU A 12 -16.531 -3.537 10.807 1.00 0.00 O ATOM 76 CB LEU A 12 -15.481 -4.863 13.057 1.00 0.00 C ATOM 77 CG LEU A 12 -14.328 -3.890 13.270 1.00 0.00 C ATOM 78 CD1 LEU A 12 -14.324 -3.336 14.688 1.00 0.00 C ATOM 79 CD2 LEU A 12 -12.999 -4.525 12.914 1.00 0.00 C ATOM 0 H LEU A 12 -17.827 -5.745 12.077 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.971 -3.695 14.013 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.437 -5.629 13.831 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -15.338 -5.367 12.101 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.477 -3.048 12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.489 -2.645 14.806 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.260 -2.810 14.876 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.220 -4.156 15.399 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.197 -3.805 13.077 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.834 -5.400 13.542 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.009 -4.827 11.867 1.00 0.00 H new ATOM 91 N TYR A 13 -17.874 -2.307 12.091 1.00 0.00 N ATOM 92 CA TYR A 13 -18.158 -1.331 11.069 1.00 0.00 C ATOM 93 C TYR A 13 -17.148 -0.201 11.203 1.00 0.00 C ATOM 94 O TYR A 13 -16.737 0.137 12.325 1.00 0.00 O ATOM 95 CB TYR A 13 -19.604 -0.817 11.224 1.00 0.00 C ATOM 96 CG TYR A 13 -20.051 0.139 10.143 1.00 0.00 C ATOM 97 CD1 TYR A 13 -20.520 -0.339 8.929 1.00 0.00 C ATOM 98 CD2 TYR A 13 -19.999 1.515 10.332 1.00 0.00 C ATOM 99 CE1 TYR A 13 -20.923 0.522 7.934 1.00 0.00 C ATOM 100 CE2 TYR A 13 -20.402 2.383 9.342 1.00 0.00 C ATOM 101 CZ TYR A 13 -20.861 1.881 8.144 1.00 0.00 C ATOM 102 OH TYR A 13 -21.260 2.749 7.148 1.00 0.00 O ATOM 0 H TYR A 13 -18.371 -2.149 12.968 1.00 0.00 H new ATOM 0 HA TYR A 13 -18.073 -1.772 10.076 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -20.280 -1.672 11.237 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -19.698 -0.322 12.190 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -20.570 -1.405 8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -19.637 1.909 11.270 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -21.286 0.134 6.994 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -20.359 3.450 9.504 1.00 0.00 H new ATOM 0 HH TYR A 13 -20.685 3.543 7.156 1.00 0.00 H new ATOM 112 N PHE A 14 -16.735 0.365 10.101 1.00 0.00 N ATOM 113 CA PHE A 14 -15.725 1.389 10.128 1.00 0.00 C ATOM 114 C PHE A 14 -16.335 2.763 9.933 1.00 0.00 C ATOM 115 O PHE A 14 -16.909 3.065 8.887 1.00 0.00 O ATOM 116 CB PHE A 14 -14.648 1.113 9.076 1.00 0.00 C ATOM 117 CG PHE A 14 -13.974 -0.223 9.257 1.00 0.00 C ATOM 118 CD1 PHE A 14 -13.005 -0.397 10.231 1.00 0.00 C ATOM 119 CD2 PHE A 14 -14.323 -1.305 8.465 1.00 0.00 C ATOM 120 CE1 PHE A 14 -12.397 -1.622 10.408 1.00 0.00 C ATOM 121 CE2 PHE A 14 -13.720 -2.531 8.640 1.00 0.00 C ATOM 122 CZ PHE A 14 -12.754 -2.690 9.611 1.00 0.00 C ATOM 0 H PHE A 14 -17.083 0.134 9.171 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.253 1.372 11.110 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.098 1.155 8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -13.896 1.901 9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.723 0.435 10.858 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.077 -1.186 7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.642 -1.745 11.170 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.003 -3.367 8.017 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.277 -3.649 9.747 1.00 0.00 H new ATOM 132 N GLN A 15 -16.210 3.589 10.939 1.00 0.00 N ATOM 133 CA GLN A 15 -16.720 4.922 10.900 1.00 0.00 C ATOM 134 C GLN A 15 -15.621 5.843 10.418 1.00 0.00 C ATOM 135 O GLN A 15 -14.845 6.411 11.202 1.00 0.00 O ATOM 136 CB GLN A 15 -17.281 5.355 12.264 1.00 0.00 C ATOM 137 CG GLN A 15 -17.924 6.739 12.275 1.00 0.00 C ATOM 138 CD GLN A 15 -18.529 7.100 13.621 1.00 0.00 C ATOM 139 OE1 GLN A 15 -19.697 6.828 13.884 1.00 0.00 O ATOM 140 NE2 GLN A 15 -17.761 7.715 14.472 1.00 0.00 N ATOM 0 H GLN A 15 -15.746 3.346 11.814 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.558 4.972 10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -18.021 4.622 12.587 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.474 5.338 12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -17.175 7.484 12.008 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -18.700 6.779 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.794 7.928 14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.125 7.984 15.386 1.00 0.00 H new ATOM 149 N GLY A 16 -15.484 5.860 9.142 1.00 0.00 N ATOM 150 CA GLY A 16 -14.512 6.688 8.494 1.00 0.00 C ATOM 151 C GLY A 16 -14.560 6.486 7.016 1.00 0.00 C ATOM 152 O GLY A 16 -13.571 6.123 6.396 1.00 0.00 O ATOM 0 H GLY A 16 -16.046 5.296 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.701 7.735 8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.516 6.451 8.868 1.00 0.00 H new ATOM 156 N HIS A 17 -15.712 6.688 6.455 1.00 0.00 N ATOM 157 CA HIS A 17 -15.924 6.475 5.059 1.00 0.00 C ATOM 158 C HIS A 17 -16.476 7.722 4.391 1.00 0.00 C ATOM 159 O HIS A 17 -17.250 8.483 5.000 1.00 0.00 O ATOM 160 CB HIS A 17 -16.852 5.266 4.832 1.00 0.00 C ATOM 161 CG HIS A 17 -18.160 5.309 5.583 1.00 0.00 C ATOM 162 ND1 HIS A 17 -19.343 5.762 5.053 1.00 0.00 N ATOM 163 CD2 HIS A 17 -18.443 4.939 6.856 1.00 0.00 C ATOM 164 CE1 HIS A 17 -20.281 5.665 5.985 1.00 0.00 C ATOM 165 NE2 HIS A 17 -19.788 5.166 7.109 1.00 0.00 N ATOM 0 H HIS A 17 -16.539 7.008 6.959 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.960 6.256 4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -17.066 5.188 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -16.318 4.360 5.117 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -19.477 6.113 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.734 4.532 7.561 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.312 5.955 5.846 1.00 0.00 H new ATOM 173 N MET A 18 -16.064 7.947 3.163 1.00 0.00 N ATOM 174 CA MET A 18 -16.529 9.073 2.382 1.00 0.00 C ATOM 175 C MET A 18 -17.065 8.592 1.069 1.00 0.00 C ATOM 176 O MET A 18 -16.350 7.940 0.305 1.00 0.00 O ATOM 177 CB MET A 18 -15.403 10.088 2.131 1.00 0.00 C ATOM 178 CG MET A 18 -14.921 10.800 3.385 1.00 0.00 C ATOM 179 SD MET A 18 -13.636 12.023 3.065 1.00 0.00 S ATOM 180 CE MET A 18 -13.332 12.603 4.734 1.00 0.00 C ATOM 0 H MET A 18 -15.394 7.352 2.676 1.00 0.00 H new ATOM 0 HA MET A 18 -17.317 9.570 2.948 1.00 0.00 H new ATOM 0 HB2 MET A 18 -14.560 9.573 1.671 1.00 0.00 H new ATOM 0 HB3 MET A 18 -15.751 10.832 1.414 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.768 11.291 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.541 10.061 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.557 13.370 4.717 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.250 13.023 5.146 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.004 11.769 5.355 1.00 0.00 H new ATOM 190 N ALA A 19 -18.311 8.908 0.787 1.00 0.00 N ATOM 191 CA ALA A 19 -18.923 8.506 -0.450 1.00 0.00 C ATOM 192 C ALA A 19 -18.579 9.497 -1.541 1.00 0.00 C ATOM 193 O ALA A 19 -19.393 10.349 -1.906 1.00 0.00 O ATOM 194 CB ALA A 19 -20.430 8.330 -0.308 1.00 0.00 C ATOM 0 H ALA A 19 -18.919 9.445 1.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.523 7.531 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.853 8.026 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -20.638 7.565 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -20.879 9.273 0.004 1.00 0.00 H new ATOM 200 N ALA A 20 -17.331 9.418 -1.974 1.00 0.00 N ATOM 201 CA ALA A 20 -16.748 10.251 -3.022 1.00 0.00 C ATOM 202 C ALA A 20 -16.883 11.766 -2.754 1.00 0.00 C ATOM 203 O ALA A 20 -17.898 12.397 -3.128 1.00 0.00 O ATOM 204 CB ALA A 20 -17.264 9.871 -4.405 1.00 0.00 C ATOM 0 H ALA A 20 -16.667 8.745 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 20 -15.678 10.042 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.805 10.516 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -17.010 8.832 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -18.347 9.993 -4.436 1.00 0.00 H new ATOM 210 N PRO A 21 -15.875 12.363 -2.070 1.00 0.00 N ATOM 211 CA PRO A 21 -15.838 13.810 -1.821 1.00 0.00 C ATOM 212 C PRO A 21 -15.799 14.546 -3.151 1.00 0.00 C ATOM 213 O PRO A 21 -16.652 15.380 -3.437 1.00 0.00 O ATOM 214 CB PRO A 21 -14.528 14.017 -1.054 1.00 0.00 C ATOM 215 CG PRO A 21 -14.181 12.680 -0.504 1.00 0.00 C ATOM 216 CD PRO A 21 -14.711 11.677 -1.485 1.00 0.00 C ATOM 0 HA PRO A 21 -16.703 14.180 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.742 14.388 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.650 14.751 -0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.103 12.576 -0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.627 12.536 0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.970 11.424 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.996 10.746 -0.995 1.00 0.00 H new ATOM 224 N ALA A 22 -14.816 14.205 -3.962 1.00 0.00 N ATOM 225 CA ALA A 22 -14.747 14.676 -5.320 1.00 0.00 C ATOM 226 C ALA A 22 -15.724 13.828 -6.097 1.00 0.00 C ATOM 227 O ALA A 22 -15.611 12.594 -6.091 1.00 0.00 O ATOM 228 CB ALA A 22 -13.334 14.503 -5.865 1.00 0.00 C ATOM 0 H ALA A 22 -14.046 13.593 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.992 15.735 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.294 14.863 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.636 15.074 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.061 13.448 -5.839 1.00 0.00 H new ATOM 234 N ARG A 23 -16.692 14.441 -6.714 1.00 0.00 N ATOM 235 CA ARG A 23 -17.744 13.670 -7.331 1.00 0.00 C ATOM 236 C ARG A 23 -17.955 14.058 -8.797 1.00 0.00 C ATOM 237 O ARG A 23 -18.786 13.469 -9.514 1.00 0.00 O ATOM 238 CB ARG A 23 -19.038 13.765 -6.490 1.00 0.00 C ATOM 239 CG ARG A 23 -20.154 12.840 -6.945 1.00 0.00 C ATOM 240 CD ARG A 23 -21.360 12.901 -6.032 1.00 0.00 C ATOM 241 NE ARG A 23 -21.104 12.343 -4.690 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.074 11.995 -3.825 1.00 0.00 C ATOM 243 NH1 ARG A 23 -23.350 12.236 -4.131 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -21.770 11.421 -2.658 1.00 0.00 N ATOM 0 H ARG A 23 -16.780 15.453 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.441 12.623 -7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.798 13.541 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.400 14.793 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.454 13.108 -7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.781 11.816 -6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.679 13.938 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.184 12.357 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.134 12.213 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.586 12.682 -5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -24.089 11.974 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.795 11.243 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.513 11.161 -2.009 1.00 0.00 H new ATOM 258 N PHE A 24 -17.217 15.026 -9.262 1.00 0.00 N ATOM 259 CA PHE A 24 -17.282 15.362 -10.656 1.00 0.00 C ATOM 260 C PHE A 24 -15.905 15.300 -11.235 1.00 0.00 C ATOM 261 O PHE A 24 -14.936 15.104 -10.517 1.00 0.00 O ATOM 262 CB PHE A 24 -17.923 16.734 -10.931 1.00 0.00 C ATOM 263 CG PHE A 24 -19.341 16.866 -10.454 1.00 0.00 C ATOM 264 CD1 PHE A 24 -19.622 17.287 -9.163 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.389 16.575 -11.300 1.00 0.00 C ATOM 266 CE1 PHE A 24 -20.921 17.410 -8.732 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.691 16.696 -10.874 1.00 0.00 C ATOM 268 CZ PHE A 24 -21.960 17.114 -9.590 1.00 0.00 C ATOM 0 H PHE A 24 -16.573 15.589 -8.707 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.934 14.632 -11.136 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.319 17.505 -10.453 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.895 16.926 -12.004 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -18.811 17.521 -8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.186 16.248 -12.309 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -21.128 17.738 -7.724 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.503 16.463 -11.547 1.00 0.00 H new ATOM 0 HZ PHE A 24 -22.982 17.210 -9.255 1.00 0.00 H new ATOM 278 N CYS A 25 -15.815 15.424 -12.500 1.00 0.00 N ATOM 279 CA CYS A 25 -14.554 15.412 -13.156 1.00 0.00 C ATOM 280 C CYS A 25 -14.597 16.460 -14.228 1.00 0.00 C ATOM 281 O CYS A 25 -15.663 16.728 -14.782 1.00 0.00 O ATOM 282 CB CYS A 25 -14.315 14.044 -13.770 1.00 0.00 C ATOM 283 SG CYS A 25 -12.596 13.722 -14.220 1.00 0.00 S ATOM 0 H CYS A 25 -16.615 15.538 -13.122 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.745 15.619 -12.455 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.643 13.280 -13.065 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.936 13.945 -14.660 1.00 0.00 H new ATOM 288 N VAL A 26 -13.492 17.066 -14.493 1.00 0.00 N ATOM 289 CA VAL A 26 -13.414 18.112 -15.485 1.00 0.00 C ATOM 290 C VAL A 26 -12.494 17.655 -16.598 1.00 0.00 C ATOM 291 O VAL A 26 -11.353 17.260 -16.336 1.00 0.00 O ATOM 292 CB VAL A 26 -12.842 19.419 -14.882 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.080 20.580 -15.815 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.404 19.708 -13.496 1.00 0.00 C ATOM 0 H VAL A 26 -12.606 16.858 -14.032 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.419 18.311 -15.857 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.767 19.280 -14.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.672 21.490 -15.375 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.590 20.386 -16.769 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.151 20.704 -15.976 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.974 20.634 -13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.488 19.810 -13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.154 18.888 -12.824 1.00 0.00 H new ATOM 304 N TYR A 27 -12.997 17.676 -17.814 1.00 0.00 N ATOM 305 CA TYR A 27 -12.218 17.290 -18.977 1.00 0.00 C ATOM 306 C TYR A 27 -11.867 18.490 -19.811 1.00 0.00 C ATOM 307 O TYR A 27 -12.667 19.443 -19.935 1.00 0.00 O ATOM 308 CB TYR A 27 -12.952 16.271 -19.845 1.00 0.00 C ATOM 309 CG TYR A 27 -13.119 14.914 -19.209 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.053 14.697 -18.211 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.341 13.846 -19.618 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.206 13.452 -17.638 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.490 12.602 -19.051 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.426 12.412 -18.060 1.00 0.00 C ATOM 315 OH TYR A 27 -13.585 11.171 -17.491 1.00 0.00 O ATOM 0 H TYR A 27 -13.953 17.960 -18.027 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.305 16.828 -18.601 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -13.937 16.666 -20.093 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.410 16.154 -20.784 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.672 15.516 -17.876 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.605 13.991 -20.395 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.939 13.299 -16.859 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.875 11.778 -19.382 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.988 10.561 -18.144 1.00 0.00 H new ATOM 325 N TYR A 28 -10.690 18.456 -20.383 1.00 0.00 N ATOM 326 CA TYR A 28 -10.203 19.532 -21.211 1.00 0.00 C ATOM 327 C TYR A 28 -9.485 18.948 -22.404 1.00 0.00 C ATOM 328 O TYR A 28 -9.013 17.813 -22.351 1.00 0.00 O ATOM 329 CB TYR A 28 -9.145 20.363 -20.489 1.00 0.00 C ATOM 330 CG TYR A 28 -9.417 20.769 -19.065 1.00 0.00 C ATOM 331 CD1 TYR A 28 -10.043 21.967 -18.759 1.00 0.00 C ATOM 332 CD2 TYR A 28 -8.977 19.975 -18.026 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.219 22.354 -17.452 1.00 0.00 C ATOM 334 CE2 TYR A 28 -9.161 20.346 -16.730 1.00 0.00 C ATOM 335 CZ TYR A 28 -9.774 21.536 -16.443 1.00 0.00 C ATOM 336 OH TYR A 28 -9.937 21.908 -15.140 1.00 0.00 O ATOM 0 H TYR A 28 -10.038 17.677 -20.287 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.065 20.143 -21.478 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.211 19.801 -20.504 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.980 21.271 -21.069 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.397 22.604 -19.557 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.478 19.043 -18.245 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.702 23.292 -17.221 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.824 19.703 -15.930 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.089 21.802 -14.661 1.00 0.00 H new ATOM 346 N ASP A 29 -9.404 19.715 -23.459 1.00 0.00 N ATOM 347 CA ASP A 29 -8.541 19.389 -24.583 1.00 0.00 C ATOM 348 C ASP A 29 -7.282 20.170 -24.343 1.00 0.00 C ATOM 349 O ASP A 29 -7.323 21.416 -24.311 1.00 0.00 O ATOM 350 CB ASP A 29 -9.142 19.855 -25.931 1.00 0.00 C ATOM 351 CG ASP A 29 -8.296 19.460 -27.173 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.082 19.797 -27.249 1.00 0.00 O ATOM 353 OD2 ASP A 29 -8.851 18.861 -28.120 1.00 0.00 O1- ATOM 0 H ASP A 29 -9.929 20.582 -23.571 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.394 18.311 -24.647 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.141 19.433 -26.036 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.254 20.939 -25.911 1.00 0.00 H new ATOM 358 N GLY A 30 -6.203 19.511 -24.099 1.00 0.00 N ATOM 359 CA GLY A 30 -4.983 20.224 -23.914 1.00 0.00 C ATOM 360 C GLY A 30 -4.006 19.509 -23.052 1.00 0.00 C ATOM 361 O GLY A 30 -4.375 18.780 -22.136 1.00 0.00 O ATOM 0 H GLY A 30 -6.137 18.496 -24.023 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.529 20.411 -24.887 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.202 21.196 -23.473 1.00 0.00 H new ATOM 365 N HIS A 31 -2.764 19.730 -23.345 1.00 0.00 N ATOM 366 CA HIS A 31 -1.658 19.142 -22.607 1.00 0.00 C ATOM 367 C HIS A 31 -1.231 20.086 -21.478 1.00 0.00 C ATOM 368 O HIS A 31 -0.493 19.707 -20.570 1.00 0.00 O ATOM 369 CB HIS A 31 -0.450 18.892 -23.551 1.00 0.00 C ATOM 370 CG HIS A 31 0.205 20.154 -24.079 1.00 0.00 C ATOM 371 ND1 HIS A 31 1.432 20.609 -23.664 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.238 21.061 -24.981 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.698 21.746 -24.296 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.711 22.073 -25.117 1.00 0.00 N ATOM 0 H HIS A 31 -2.470 20.332 -24.114 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.985 18.190 -22.188 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.298 18.306 -23.017 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.784 18.290 -24.396 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.178 21.009 -25.511 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.598 22.327 -24.159 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.657 22.893 -25.721 1.00 0.00 H new ATOM 382 N LEU A 32 -1.727 21.303 -21.533 1.00 0.00 N ATOM 383 CA LEU A 32 -1.313 22.336 -20.639 1.00 0.00 C ATOM 384 C LEU A 32 -2.552 22.968 -20.019 1.00 0.00 C ATOM 385 O LEU A 32 -3.460 23.372 -20.741 1.00 0.00 O ATOM 386 CB LEU A 32 -0.531 23.388 -21.439 1.00 0.00 C ATOM 387 CG LEU A 32 0.135 24.500 -20.641 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.303 23.959 -19.829 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.587 25.623 -21.556 1.00 0.00 C ATOM 0 H LEU A 32 -2.434 21.595 -22.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.679 21.934 -19.849 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.239 22.874 -22.014 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.213 23.846 -22.156 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.600 24.905 -19.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.763 24.772 -19.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.943 23.198 -19.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.040 23.519 -20.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.060 26.407 -20.964 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.302 25.235 -22.282 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.276 26.035 -22.080 1.00 0.00 H new ATOM 401 N PRO A 33 -2.606 23.086 -18.682 1.00 0.00 N ATOM 402 CA PRO A 33 -3.771 23.643 -17.965 1.00 0.00 C ATOM 403 C PRO A 33 -3.899 25.162 -18.123 1.00 0.00 C ATOM 404 O PRO A 33 -4.792 25.778 -17.559 1.00 0.00 O ATOM 405 CB PRO A 33 -3.475 23.295 -16.509 1.00 0.00 C ATOM 406 CG PRO A 33 -1.999 23.261 -16.442 1.00 0.00 C ATOM 407 CD PRO A 33 -1.551 22.668 -17.738 1.00 0.00 C ATOM 0 HA PRO A 33 -4.709 23.240 -18.346 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.888 24.040 -15.829 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.909 22.334 -16.232 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.590 24.262 -16.307 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.659 22.661 -15.598 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.572 23.044 -18.036 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.471 21.583 -17.678 1.00 0.00 H new ATOM 415 N ALA A 34 -3.006 25.747 -18.874 1.00 0.00 N ATOM 416 CA ALA A 34 -3.039 27.170 -19.123 1.00 0.00 C ATOM 417 C ALA A 34 -3.787 27.499 -20.418 1.00 0.00 C ATOM 418 O ALA A 34 -4.602 28.411 -20.450 1.00 0.00 O ATOM 419 CB ALA A 34 -1.627 27.733 -19.164 1.00 0.00 C ATOM 0 H ALA A 34 -2.237 25.257 -19.331 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.582 27.639 -18.302 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.668 28.806 -19.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.135 27.551 -18.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.064 27.246 -19.960 1.00 0.00 H new ATOM 425 N THR A 35 -3.530 26.739 -21.463 1.00 0.00 N ATOM 426 CA THR A 35 -4.084 27.022 -22.783 1.00 0.00 C ATOM 427 C THR A 35 -5.130 25.983 -23.214 1.00 0.00 C ATOM 428 O THR A 35 -5.558 25.954 -24.365 1.00 0.00 O ATOM 429 CB THR A 35 -2.932 27.023 -23.797 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.136 25.834 -23.582 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.056 28.258 -23.629 1.00 0.00 C ATOM 0 H THR A 35 -2.935 25.911 -21.428 1.00 0.00 H new ATOM 0 HA THR A 35 -4.584 27.990 -22.742 1.00 0.00 H new ATOM 0 HB THR A 35 -3.343 27.036 -24.806 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.395 25.816 -24.223 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.248 28.233 -24.360 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.657 29.154 -23.783 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.635 28.272 -22.623 1.00 0.00 H new ATOM 439 N ARG A 36 -5.559 25.168 -22.280 1.00 0.00 N ATOM 440 CA ARG A 36 -6.465 24.059 -22.578 1.00 0.00 C ATOM 441 C ARG A 36 -7.884 24.545 -22.920 1.00 0.00 C ATOM 442 O ARG A 36 -8.246 25.678 -22.617 1.00 0.00 O ATOM 443 CB ARG A 36 -6.516 23.076 -21.399 1.00 0.00 C ATOM 444 CG ARG A 36 -7.439 23.433 -20.202 1.00 0.00 C ATOM 445 CD ARG A 36 -7.077 24.694 -19.407 1.00 0.00 C ATOM 446 NE ARG A 36 -7.451 25.961 -20.057 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.548 27.145 -19.421 1.00 0.00 C ATOM 448 NH1 ARG A 36 -7.230 27.236 -18.125 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.957 28.233 -20.087 1.00 0.00 N ATOM 0 H ARG A 36 -5.299 25.244 -21.297 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.070 23.550 -23.457 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.827 22.105 -21.785 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.502 22.957 -21.017 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.456 23.548 -20.578 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.447 22.587 -19.514 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.563 24.644 -18.433 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.002 24.697 -19.227 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.650 25.941 -21.057 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.914 26.409 -17.618 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.303 28.132 -17.644 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.195 28.166 -21.076 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.030 29.129 -19.605 1.00 0.00 H new ATOM 463 N VAL A 37 -8.668 23.701 -23.532 1.00 0.00 N ATOM 464 CA VAL A 37 -10.042 24.029 -23.843 1.00 0.00 C ATOM 465 C VAL A 37 -10.950 23.228 -22.919 1.00 0.00 C ATOM 466 O VAL A 37 -10.882 21.999 -22.903 1.00 0.00 O ATOM 467 CB VAL A 37 -10.391 23.698 -25.321 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.828 24.093 -25.652 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.419 24.380 -26.274 1.00 0.00 C ATOM 0 H VAL A 37 -8.379 22.769 -23.830 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.185 25.100 -23.700 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.299 22.619 -25.448 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.042 23.849 -26.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.514 23.548 -25.003 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.956 25.164 -25.497 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.684 24.133 -27.302 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.471 25.460 -26.135 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.406 24.036 -26.068 1.00 0.00 H new ATOM 479 N LEU A 38 -11.741 23.918 -22.125 1.00 0.00 N ATOM 480 CA LEU A 38 -12.691 23.288 -21.211 1.00 0.00 C ATOM 481 C LEU A 38 -13.743 22.547 -22.025 1.00 0.00 C ATOM 482 O LEU A 38 -14.356 23.125 -22.922 1.00 0.00 O ATOM 483 CB LEU A 38 -13.320 24.393 -20.295 1.00 0.00 C ATOM 484 CG LEU A 38 -14.359 24.005 -19.195 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.729 23.651 -19.765 1.00 0.00 C ATOM 486 CD2 LEU A 38 -13.841 22.873 -18.341 1.00 0.00 C ATOM 0 H LEU A 38 -11.749 24.937 -22.090 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.196 22.561 -20.567 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.498 24.906 -19.796 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.799 25.121 -20.950 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.492 24.892 -18.576 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.406 23.391 -18.951 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.129 24.507 -20.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.633 22.802 -20.442 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.582 22.621 -17.582 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.652 22.001 -18.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.914 23.178 -17.855 1.00 0.00 H new ATOM 498 N LEU A 39 -13.931 21.273 -21.741 1.00 0.00 N ATOM 499 CA LEU A 39 -14.898 20.502 -22.479 1.00 0.00 C ATOM 500 C LEU A 39 -16.187 20.302 -21.696 1.00 0.00 C ATOM 501 O LEU A 39 -17.245 20.800 -22.110 1.00 0.00 O ATOM 502 CB LEU A 39 -14.312 19.157 -22.911 1.00 0.00 C ATOM 503 CG LEU A 39 -13.087 19.220 -23.832 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.595 17.828 -24.145 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.403 19.968 -25.123 1.00 0.00 C ATOM 0 H LEU A 39 -13.432 20.760 -21.014 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.147 21.073 -23.373 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.040 18.598 -22.016 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.093 18.589 -23.417 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.302 19.766 -23.309 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.725 17.888 -24.799 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.318 17.323 -23.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.385 17.266 -24.643 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.515 19.995 -25.754 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.208 19.458 -25.651 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.712 20.986 -24.887 1.00 0.00 H new ATOM 517 N MET A 40 -16.118 19.619 -20.549 1.00 0.00 N ATOM 518 CA MET A 40 -17.322 19.323 -19.777 1.00 0.00 C ATOM 519 C MET A 40 -16.995 18.720 -18.444 1.00 0.00 C ATOM 520 O MET A 40 -15.857 18.277 -18.202 1.00 0.00 O ATOM 521 CB MET A 40 -18.309 18.402 -20.546 1.00 0.00 C ATOM 522 CG MET A 40 -17.750 17.053 -20.925 1.00 0.00 C ATOM 523 SD MET A 40 -18.979 15.960 -21.679 1.00 0.00 S ATOM 524 CE MET A 40 -19.435 16.894 -23.141 1.00 0.00 C ATOM 0 H MET A 40 -15.252 19.266 -20.141 1.00 0.00 H new ATOM 0 HA MET A 40 -17.815 20.282 -19.614 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.197 18.252 -19.932 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.631 18.914 -21.453 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.922 17.192 -21.620 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.343 16.572 -20.035 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.987 16.251 -23.826 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.060 17.739 -22.853 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.535 17.261 -23.634 1.00 0.00 H new ATOM 534 N TYR A 41 -17.981 18.738 -17.595 1.00 0.00 N ATOM 535 CA TYR A 41 -17.932 18.179 -16.274 1.00 0.00 C ATOM 536 C TYR A 41 -18.688 16.874 -16.291 1.00 0.00 C ATOM 537 O TYR A 41 -19.754 16.779 -16.894 1.00 0.00 O ATOM 538 CB TYR A 41 -18.563 19.138 -15.257 1.00 0.00 C ATOM 539 CG TYR A 41 -17.792 20.424 -15.057 1.00 0.00 C ATOM 540 CD1 TYR A 41 -17.859 21.457 -15.986 1.00 0.00 C ATOM 541 CD2 TYR A 41 -16.995 20.604 -13.936 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.153 22.624 -15.803 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.289 21.774 -13.746 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.370 22.777 -14.683 1.00 0.00 C ATOM 545 OH TYR A 41 -15.669 23.939 -14.506 1.00 0.00 O ATOM 0 H TYR A 41 -18.882 19.162 -17.814 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.895 18.015 -15.980 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.575 19.381 -15.582 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.651 18.627 -14.298 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.475 21.341 -16.865 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -16.926 19.816 -13.201 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.214 23.416 -16.535 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.676 21.901 -12.866 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.165 23.893 -13.667 1.00 0.00 H new ATOM 555 N VAL A 42 -18.147 15.884 -15.658 1.00 0.00 N ATOM 556 CA VAL A 42 -18.728 14.557 -15.674 1.00 0.00 C ATOM 557 C VAL A 42 -19.045 14.101 -14.267 1.00 0.00 C ATOM 558 O VAL A 42 -18.276 14.357 -13.343 1.00 0.00 O ATOM 559 CB VAL A 42 -17.770 13.543 -16.384 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.280 12.107 -16.299 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.588 13.936 -17.837 1.00 0.00 C ATOM 0 H VAL A 42 -17.289 15.960 -15.111 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.659 14.596 -16.239 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.813 13.582 -15.864 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.581 11.442 -16.806 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.367 11.813 -15.253 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.257 12.039 -16.777 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.920 13.226 -18.325 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.555 13.929 -18.340 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.158 14.936 -17.892 1.00 0.00 H new ATOM 571 N ARG A 43 -20.177 13.464 -14.115 1.00 0.00 N ATOM 572 CA ARG A 43 -20.641 12.931 -12.855 1.00 0.00 C ATOM 573 C ARG A 43 -19.899 11.613 -12.587 1.00 0.00 C ATOM 574 O ARG A 43 -20.095 10.617 -13.323 1.00 0.00 O ATOM 575 CB ARG A 43 -22.136 12.635 -12.983 1.00 0.00 C ATOM 576 CG ARG A 43 -22.842 12.268 -11.697 1.00 0.00 C ATOM 577 CD ARG A 43 -23.256 13.503 -10.920 1.00 0.00 C ATOM 578 NE ARG A 43 -24.202 14.326 -11.701 1.00 0.00 N ATOM 579 CZ ARG A 43 -25.522 14.428 -11.462 1.00 0.00 C ATOM 580 NH1 ARG A 43 -26.088 13.787 -10.432 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -26.278 15.169 -12.260 1.00 0.00 N ATOM 0 H ARG A 43 -20.823 13.295 -14.886 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.461 13.638 -12.045 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.626 13.511 -13.409 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.267 11.819 -13.694 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.722 11.666 -11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.185 11.653 -11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.718 13.207 -9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.374 14.093 -10.671 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.824 14.860 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -25.517 13.210 -9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -27.090 13.875 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -25.858 15.658 -13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -27.279 15.250 -12.083 1.00 0.00 H new ATOM 595 N ILE A 44 -19.054 11.587 -11.579 1.00 0.00 N ATOM 596 CA ILE A 44 -18.310 10.385 -11.274 1.00 0.00 C ATOM 597 C ILE A 44 -19.252 9.283 -10.833 1.00 0.00 C ATOM 598 O ILE A 44 -20.079 9.470 -9.930 1.00 0.00 O ATOM 599 CB ILE A 44 -17.151 10.614 -10.257 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.131 11.603 -10.864 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.473 9.288 -9.882 1.00 0.00 C ATOM 602 CD1 ILE A 44 -14.889 11.832 -10.031 1.00 0.00 C ATOM 0 H ILE A 44 -18.866 12.377 -10.962 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.817 10.070 -12.194 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.561 11.038 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.830 11.235 -11.845 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.626 12.561 -11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.669 9.479 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.206 8.620 -9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.063 8.823 -10.778 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.235 12.540 -10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.172 12.234 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.363 10.887 -9.894 1.00 0.00 H new ATOM 614 N GLY A 45 -19.158 8.169 -11.512 1.00 0.00 N ATOM 615 CA GLY A 45 -20.037 7.080 -11.286 1.00 0.00 C ATOM 616 C GLY A 45 -20.826 6.767 -12.533 1.00 0.00 C ATOM 617 O GLY A 45 -21.293 5.638 -12.718 1.00 0.00 O ATOM 0 H GLY A 45 -18.462 8.003 -12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.467 6.203 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.718 7.319 -10.469 1.00 0.00 H new ATOM 621 N THR A 46 -20.952 7.752 -13.406 1.00 0.00 N ATOM 622 CA THR A 46 -21.728 7.585 -14.615 1.00 0.00 C ATOM 623 C THR A 46 -20.860 7.607 -15.846 1.00 0.00 C ATOM 624 O THR A 46 -19.624 7.822 -15.776 1.00 0.00 O ATOM 625 CB THR A 46 -22.829 8.671 -14.742 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.244 9.974 -14.787 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.795 8.599 -13.578 1.00 0.00 C ATOM 0 H THR A 46 -20.526 8.673 -13.297 1.00 0.00 H new ATOM 0 HA THR A 46 -22.203 6.607 -14.541 1.00 0.00 H new ATOM 0 HB THR A 46 -23.373 8.485 -15.668 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.340 9.940 -14.411 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.557 9.370 -13.690 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.271 7.618 -13.560 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.253 8.757 -12.645 1.00 0.00 H new ATOM 635 N THR A 47 -21.492 7.362 -16.943 1.00 0.00 N ATOM 636 CA THR A 47 -20.874 7.437 -18.214 1.00 0.00 C ATOM 637 C THR A 47 -21.216 8.763 -18.852 1.00 0.00 C ATOM 638 O THR A 47 -22.264 9.372 -18.554 1.00 0.00 O ATOM 639 CB THR A 47 -21.331 6.301 -19.145 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.774 6.234 -19.183 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.774 4.960 -18.710 1.00 0.00 C ATOM 0 H THR A 47 -22.477 7.098 -16.977 1.00 0.00 H new ATOM 0 HA THR A 47 -19.798 7.340 -18.069 1.00 0.00 H new ATOM 0 HB THR A 47 -20.947 6.522 -20.141 1.00 0.00 H new ATOM 0 HG1 THR A 47 -23.052 5.508 -19.780 1.00 0.00 H new ATOM 0 HG21 THR A 47 -21.120 4.184 -19.393 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.685 4.997 -18.724 1.00 0.00 H new ATOM 0 HG23 THR A 47 -21.117 4.734 -17.700 1.00 0.00 H new ATOM 649 N ALA A 48 -20.358 9.211 -19.693 1.00 0.00 N ATOM 650 CA ALA A 48 -20.543 10.474 -20.372 1.00 0.00 C ATOM 651 C ALA A 48 -19.925 10.423 -21.731 1.00 0.00 C ATOM 652 O ALA A 48 -19.010 9.635 -21.979 1.00 0.00 O ATOM 653 CB ALA A 48 -19.940 11.612 -19.566 1.00 0.00 C ATOM 0 H ALA A 48 -19.498 8.722 -19.942 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.613 10.655 -20.475 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.091 12.553 -20.096 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.424 11.663 -18.591 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.872 11.438 -19.433 1.00 0.00 H new ATOM 659 N THR A 49 -20.419 11.235 -22.603 1.00 0.00 N ATOM 660 CA THR A 49 -19.916 11.296 -23.936 1.00 0.00 C ATOM 661 C THR A 49 -19.157 12.609 -24.120 1.00 0.00 C ATOM 662 O THR A 49 -19.751 13.683 -24.152 1.00 0.00 O ATOM 663 CB THR A 49 -21.073 11.218 -24.954 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.966 10.126 -24.599 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.531 10.982 -26.360 1.00 0.00 C ATOM 0 H THR A 49 -21.187 11.879 -22.412 1.00 0.00 H new ATOM 0 HA THR A 49 -19.248 10.451 -24.106 1.00 0.00 H new ATOM 0 HB THR A 49 -21.616 12.163 -24.934 1.00 0.00 H new ATOM 0 HG1 THR A 49 -22.700 10.080 -25.246 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.360 10.930 -27.066 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.870 11.803 -26.638 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.975 10.045 -26.383 1.00 0.00 H new ATOM 673 N ILE A 50 -17.861 12.520 -24.220 1.00 0.00 N ATOM 674 CA ILE A 50 -17.035 13.690 -24.409 1.00 0.00 C ATOM 675 C ILE A 50 -16.848 13.813 -25.897 1.00 0.00 C ATOM 676 O ILE A 50 -16.748 12.812 -26.580 1.00 0.00 O ATOM 677 CB ILE A 50 -15.617 13.488 -23.805 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.660 12.825 -22.416 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.857 14.817 -23.745 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.355 13.631 -21.343 1.00 0.00 C ATOM 0 H ILE A 50 -17.345 11.642 -24.174 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.503 14.554 -23.936 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.084 12.807 -24.469 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.160 11.861 -22.506 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.638 12.625 -22.094 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.867 14.651 -23.319 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.755 15.224 -24.751 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.407 15.523 -23.122 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.333 13.080 -20.403 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.844 14.585 -21.217 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.390 13.809 -21.635 1.00 0.00 H new ATOM 692 N THR A 51 -16.845 14.983 -26.398 1.00 0.00 N ATOM 693 CA THR A 51 -16.647 15.183 -27.808 1.00 0.00 C ATOM 694 C THR A 51 -15.543 16.201 -28.015 1.00 0.00 C ATOM 695 O THR A 51 -15.678 17.364 -27.629 1.00 0.00 O ATOM 696 CB THR A 51 -17.948 15.660 -28.483 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.015 14.754 -28.135 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.793 15.694 -30.001 1.00 0.00 C ATOM 0 H THR A 51 -16.978 15.839 -25.860 1.00 0.00 H new ATOM 0 HA THR A 51 -16.362 14.236 -28.265 1.00 0.00 H new ATOM 0 HB THR A 51 -18.175 16.668 -28.136 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.847 15.051 -28.559 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.724 16.034 -30.454 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.988 16.378 -30.269 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.556 14.694 -30.365 1.00 0.00 H new ATOM 706 N ALA A 52 -14.447 15.755 -28.565 1.00 0.00 N ATOM 707 CA ALA A 52 -13.325 16.615 -28.825 1.00 0.00 C ATOM 708 C ALA A 52 -12.622 16.149 -30.071 1.00 0.00 C ATOM 709 O ALA A 52 -12.429 14.942 -30.263 1.00 0.00 O ATOM 710 CB ALA A 52 -12.374 16.629 -27.645 1.00 0.00 C ATOM 0 H ALA A 52 -14.306 14.785 -28.846 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.681 17.634 -28.974 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.532 17.286 -27.864 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.897 16.992 -26.760 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.007 15.619 -27.461 1.00 0.00 H new ATOM 716 N ARG A 53 -12.310 17.098 -30.942 1.00 0.00 N ATOM 717 CA ARG A 53 -11.613 16.867 -32.219 1.00 0.00 C ATOM 718 C ARG A 53 -12.408 15.942 -33.136 1.00 0.00 C ATOM 719 O ARG A 53 -11.866 15.300 -34.035 1.00 0.00 O ATOM 720 CB ARG A 53 -10.205 16.336 -31.977 1.00 0.00 C ATOM 721 CG ARG A 53 -9.365 17.288 -31.161 1.00 0.00 C ATOM 722 CD ARG A 53 -7.989 16.748 -30.932 1.00 0.00 C ATOM 723 NE ARG A 53 -7.273 17.548 -29.935 1.00 0.00 N ATOM 724 CZ ARG A 53 -5.955 17.531 -29.699 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.148 16.693 -30.365 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -5.455 18.331 -28.769 1.00 0.00 N ATOM 0 H ARG A 53 -12.537 18.080 -30.784 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.528 17.826 -32.730 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.265 15.376 -31.464 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.718 16.155 -32.935 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.300 18.248 -31.674 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.849 17.471 -30.202 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.051 15.713 -30.597 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.434 16.747 -31.870 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.834 18.180 -29.364 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.536 16.057 -31.062 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.146 16.691 -30.175 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.072 18.950 -28.243 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.453 18.328 -28.579 1.00 0.00 H new ATOM 740 N GLY A 54 -13.706 15.945 -32.941 1.00 0.00 N ATOM 741 CA GLY A 54 -14.592 15.103 -33.715 1.00 0.00 C ATOM 742 C GLY A 54 -14.704 13.696 -33.160 1.00 0.00 C ATOM 743 O GLY A 54 -15.400 12.854 -33.721 1.00 0.00 O ATOM 0 H GLY A 54 -14.176 16.526 -32.247 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.583 15.557 -33.744 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.233 15.055 -34.743 1.00 0.00 H new ATOM 747 N HIS A 55 -14.025 13.424 -32.071 1.00 0.00 N ATOM 748 CA HIS A 55 -14.065 12.109 -31.482 1.00 0.00 C ATOM 749 C HIS A 55 -14.978 12.129 -30.281 1.00 0.00 C ATOM 750 O HIS A 55 -14.849 13.000 -29.409 1.00 0.00 O ATOM 751 CB HIS A 55 -12.663 11.632 -31.060 1.00 0.00 C ATOM 752 CG HIS A 55 -11.655 11.515 -32.173 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.221 10.322 -32.700 1.00 0.00 N ATOM 754 CD2 HIS A 55 -10.972 12.477 -32.833 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.313 10.585 -33.640 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.125 11.886 -33.760 1.00 0.00 N ATOM 0 H HIS A 55 -13.439 14.096 -31.576 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.442 11.412 -32.231 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.273 12.322 -30.312 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.759 10.660 -30.577 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.070 13.539 -32.665 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.801 9.835 -34.224 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.489 12.359 -34.402 1.00 0.00 H new ATOM 764 N GLU A 56 -15.909 11.214 -30.252 1.00 0.00 N ATOM 765 CA GLU A 56 -16.821 11.089 -29.155 1.00 0.00 C ATOM 766 C GLU A 56 -16.333 9.961 -28.276 1.00 0.00 C ATOM 767 O GLU A 56 -16.313 8.802 -28.699 1.00 0.00 O ATOM 768 CB GLU A 56 -18.203 10.741 -29.659 1.00 0.00 C ATOM 769 CG GLU A 56 -18.767 11.699 -30.676 1.00 0.00 C ATOM 770 CD GLU A 56 -20.101 11.233 -31.181 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.146 10.288 -31.999 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -21.138 11.783 -30.751 1.00 0.00 O ATOM 0 H GLU A 56 -16.054 10.531 -30.996 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.869 12.030 -28.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.173 9.744 -30.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.883 10.695 -28.808 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.870 12.688 -30.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.073 11.797 -31.511 1.00 0.00 H new ATOM 779 N PHE A 57 -15.927 10.283 -27.108 1.00 0.00 N ATOM 780 CA PHE A 57 -15.421 9.317 -26.201 1.00 0.00 C ATOM 781 C PHE A 57 -16.477 9.009 -25.190 1.00 0.00 C ATOM 782 O PHE A 57 -16.914 9.907 -24.460 1.00 0.00 O ATOM 783 CB PHE A 57 -14.193 9.865 -25.474 1.00 0.00 C ATOM 784 CG PHE A 57 -13.125 10.383 -26.381 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.280 9.514 -27.053 1.00 0.00 C ATOM 786 CD2 PHE A 57 -12.972 11.747 -26.572 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.302 9.998 -27.896 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.002 12.235 -27.411 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.164 11.364 -28.074 1.00 0.00 C ATOM 0 H PHE A 57 -15.935 11.237 -26.746 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.141 8.420 -26.753 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.508 10.667 -24.806 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.773 9.077 -24.849 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.388 8.448 -26.915 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.624 12.434 -26.054 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.647 9.314 -28.415 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.895 13.300 -27.552 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.399 11.748 -28.733 1.00 0.00 H new ATOM 799 N GLU A 58 -16.931 7.791 -25.163 1.00 0.00 N ATOM 800 CA GLU A 58 -17.837 7.396 -24.143 1.00 0.00 C ATOM 801 C GLU A 58 -16.988 6.952 -22.980 1.00 0.00 C ATOM 802 O GLU A 58 -16.359 5.887 -23.015 1.00 0.00 O ATOM 803 CB GLU A 58 -18.758 6.274 -24.633 1.00 0.00 C ATOM 804 CG GLU A 58 -19.724 5.777 -23.597 1.00 0.00 C ATOM 805 CD GLU A 58 -20.657 4.723 -24.126 1.00 0.00 C ATOM 806 OE1 GLU A 58 -20.196 3.608 -24.474 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.856 4.974 -24.199 1.00 0.00 O ATOM 0 H GLU A 58 -16.687 7.063 -25.834 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.494 8.216 -23.852 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.320 6.631 -25.496 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.146 5.439 -24.974 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.167 5.371 -22.753 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.308 6.616 -23.220 1.00 0.00 H new ATOM 814 N VAL A 59 -16.960 7.763 -21.978 1.00 0.00 N ATOM 815 CA VAL A 59 -16.116 7.543 -20.854 1.00 0.00 C ATOM 816 C VAL A 59 -16.958 7.123 -19.702 1.00 0.00 C ATOM 817 O VAL A 59 -18.156 7.430 -19.649 1.00 0.00 O ATOM 818 CB VAL A 59 -15.324 8.846 -20.448 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.517 9.402 -21.608 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.246 9.932 -19.882 1.00 0.00 C ATOM 0 H VAL A 59 -17.529 8.607 -21.916 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.391 6.774 -21.120 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.633 8.545 -19.660 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.987 10.298 -21.286 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.797 8.655 -21.941 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.187 9.652 -22.430 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.655 10.809 -19.617 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.987 10.207 -20.632 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.752 9.553 -18.994 1.00 0.00 H new ATOM 830 N GLU A 60 -16.381 6.408 -18.822 1.00 0.00 N ATOM 831 CA GLU A 60 -17.024 6.102 -17.608 1.00 0.00 C ATOM 832 C GLU A 60 -16.157 6.630 -16.507 1.00 0.00 C ATOM 833 O GLU A 60 -14.987 6.254 -16.386 1.00 0.00 O ATOM 834 CB GLU A 60 -17.289 4.600 -17.451 1.00 0.00 C ATOM 835 CG GLU A 60 -18.057 4.260 -16.179 1.00 0.00 C ATOM 836 CD GLU A 60 -18.465 2.815 -16.092 1.00 0.00 C ATOM 837 OE1 GLU A 60 -17.628 1.922 -16.338 1.00 0.00 O ATOM 838 OE2 GLU A 60 -19.624 2.541 -15.721 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.445 6.015 -18.922 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.008 6.569 -17.580 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.851 4.244 -18.314 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.338 4.067 -17.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.441 4.508 -15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.948 4.885 -16.124 1.00 0.00 H new ATOM 845 N ALA A 61 -16.685 7.549 -15.753 1.00 0.00 N ATOM 846 CA ALA A 61 -15.944 8.105 -14.651 1.00 0.00 C ATOM 847 C ALA A 61 -15.965 7.096 -13.519 1.00 0.00 C ATOM 848 O ALA A 61 -16.924 7.023 -12.756 1.00 0.00 O ATOM 849 CB ALA A 61 -16.530 9.436 -14.230 1.00 0.00 C ATOM 0 H ALA A 61 -17.623 7.931 -15.877 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.912 8.299 -14.943 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.955 9.839 -13.396 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.491 10.132 -15.068 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.566 9.296 -13.923 1.00 0.00 H new ATOM 855 N LYS A 62 -14.931 6.273 -13.478 1.00 0.00 N ATOM 856 CA LYS A 62 -14.867 5.150 -12.560 1.00 0.00 C ATOM 857 C LYS A 62 -14.616 5.572 -11.140 1.00 0.00 C ATOM 858 O LYS A 62 -15.416 5.321 -10.262 1.00 0.00 O ATOM 859 CB LYS A 62 -13.726 4.218 -12.971 1.00 0.00 C ATOM 860 CG LYS A 62 -13.795 3.690 -14.387 1.00 0.00 C ATOM 861 CD LYS A 62 -15.047 2.861 -14.638 1.00 0.00 C ATOM 862 CE LYS A 62 -15.121 1.621 -13.759 1.00 0.00 C ATOM 863 NZ LYS A 62 -16.377 0.879 -13.986 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.113 6.365 -14.080 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.836 4.654 -12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.783 4.750 -12.845 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.708 3.370 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.771 4.527 -15.085 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.913 3.081 -14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.927 3.479 -14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.074 2.560 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.270 0.973 -13.968 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.051 1.911 -12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.004 0.998 -13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.848 1.246 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.165 -0.131 -14.116 1.00 0.00 H new ATOM 877 N ASP A 63 -13.535 6.243 -10.931 1.00 0.00 N ATOM 878 CA ASP A 63 -13.102 6.548 -9.595 1.00 0.00 C ATOM 879 C ASP A 63 -12.974 8.038 -9.382 1.00 0.00 C ATOM 880 O ASP A 63 -12.792 8.789 -10.345 1.00 0.00 O ATOM 881 CB ASP A 63 -11.784 5.818 -9.324 1.00 0.00 C ATOM 882 CG ASP A 63 -11.181 6.160 -8.003 1.00 0.00 C ATOM 883 OD1 ASP A 63 -11.733 5.760 -6.966 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.172 6.882 -7.991 1.00 0.00 O ATOM 0 H ASP A 63 -12.926 6.596 -11.669 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.852 6.202 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.956 4.743 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.073 6.061 -10.114 1.00 0.00 H new ATOM 889 N GLN A 64 -13.036 8.450 -8.115 1.00 0.00 N ATOM 890 CA GLN A 64 -12.980 9.849 -7.696 1.00 0.00 C ATOM 891 C GLN A 64 -11.661 10.549 -8.009 1.00 0.00 C ATOM 892 O GLN A 64 -11.541 11.742 -7.817 1.00 0.00 O ATOM 893 CB GLN A 64 -13.398 10.015 -6.206 1.00 0.00 C ATOM 894 CG GLN A 64 -12.640 9.169 -5.151 1.00 0.00 C ATOM 895 CD GLN A 64 -11.181 9.575 -4.879 1.00 0.00 C ATOM 896 OE1 GLN A 64 -10.355 8.740 -4.521 1.00 0.00 O ATOM 897 NE2 GLN A 64 -10.859 10.838 -5.023 1.00 0.00 N ATOM 0 H GLN A 64 -13.129 7.802 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.716 10.366 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.284 11.066 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.459 9.780 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.191 9.218 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.652 8.128 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.563 11.513 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.904 11.145 -4.836 1.00 0.00 H new ATOM 906 N ASN A 65 -10.679 9.808 -8.475 1.00 0.00 N ATOM 907 CA ASN A 65 -9.392 10.401 -8.862 1.00 0.00 C ATOM 908 C ASN A 65 -9.409 10.659 -10.379 1.00 0.00 C ATOM 909 O ASN A 65 -8.428 11.108 -10.983 1.00 0.00 O ATOM 910 CB ASN A 65 -8.249 9.437 -8.499 1.00 0.00 C ATOM 911 CG ASN A 65 -6.859 10.012 -8.722 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.626 11.217 -8.571 1.00 0.00 O ATOM 913 ND2 ASN A 65 -5.937 9.167 -9.088 1.00 0.00 N ATOM 0 H ASN A 65 -10.734 8.797 -8.599 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.235 11.341 -8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.348 9.150 -7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.354 8.527 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.986 9.493 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.166 8.180 -9.202 1.00 0.00 H new ATOM 920 N CYS A 66 -10.560 10.385 -10.967 1.00 0.00 N ATOM 921 CA CYS A 66 -10.792 10.481 -12.394 1.00 0.00 C ATOM 922 C CYS A 66 -10.045 9.444 -13.158 1.00 0.00 C ATOM 923 O CYS A 66 -9.131 9.743 -13.942 1.00 0.00 O ATOM 924 CB CYS A 66 -10.576 11.877 -12.978 1.00 0.00 C ATOM 925 SG CYS A 66 -11.829 13.060 -12.469 1.00 0.00 S ATOM 0 H CYS A 66 -11.383 10.080 -10.447 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.857 10.281 -12.513 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.595 12.243 -12.674 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.568 11.811 -14.066 1.00 0.00 H new ATOM 930 N LYS A 67 -10.362 8.202 -12.880 1.00 0.00 N ATOM 931 CA LYS A 67 -9.831 7.160 -13.640 1.00 0.00 C ATOM 932 C LYS A 67 -10.688 7.084 -14.880 1.00 0.00 C ATOM 933 O LYS A 67 -11.795 6.523 -14.850 1.00 0.00 O ATOM 934 CB LYS A 67 -9.861 5.846 -12.873 1.00 0.00 C ATOM 935 CG LYS A 67 -8.754 4.849 -13.179 1.00 0.00 C ATOM 936 CD LYS A 67 -7.421 5.456 -12.847 1.00 0.00 C ATOM 937 CE LYS A 67 -6.758 6.020 -14.069 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.621 6.903 -13.732 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.988 7.915 -12.127 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.784 7.340 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.828 6.074 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.818 5.361 -13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.903 3.937 -12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.785 4.568 -14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.553 6.244 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.777 4.700 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.407 5.203 -14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.490 6.580 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.194 7.269 -14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.959 7.698 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.909 6.364 -13.199 1.00 0.00 H new ATOM 952 N VAL A 68 -10.243 7.747 -15.907 1.00 0.00 N ATOM 953 CA VAL A 68 -10.978 7.822 -17.129 1.00 0.00 C ATOM 954 C VAL A 68 -10.784 6.573 -17.965 1.00 0.00 C ATOM 955 O VAL A 68 -9.772 6.381 -18.650 1.00 0.00 O ATOM 956 CB VAL A 68 -10.708 9.136 -17.927 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.219 9.378 -18.160 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.477 9.130 -19.245 1.00 0.00 C ATOM 0 H VAL A 68 -9.357 8.252 -15.918 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.034 7.867 -16.861 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.068 9.965 -17.318 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.084 10.304 -18.719 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.708 9.456 -17.200 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.800 8.547 -18.727 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.276 10.054 -19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.159 8.279 -19.848 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.545 9.053 -19.043 1.00 0.00 H new ATOM 968 N ILE A 69 -11.723 5.701 -17.829 1.00 0.00 N ATOM 969 CA ILE A 69 -11.741 4.478 -18.540 1.00 0.00 C ATOM 970 C ILE A 69 -13.039 4.421 -19.272 1.00 0.00 C ATOM 971 O ILE A 69 -14.106 4.626 -18.689 1.00 0.00 O ATOM 972 CB ILE A 69 -11.586 3.272 -17.576 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.244 3.387 -16.853 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.675 1.943 -18.334 1.00 0.00 C ATOM 975 CD1 ILE A 69 -10.060 2.426 -15.714 1.00 0.00 C ATOM 0 H ILE A 69 -12.518 5.826 -17.203 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.905 4.424 -19.238 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.399 3.289 -16.850 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.443 3.230 -17.576 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.137 4.403 -16.474 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.563 1.116 -17.633 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.643 1.871 -18.829 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.882 1.896 -19.080 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.080 2.581 -15.262 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.835 2.595 -14.967 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.131 1.404 -16.085 1.00 0.00 H new ATOM 987 N LEU A 70 -12.959 4.210 -20.538 1.00 0.00 N ATOM 988 CA LEU A 70 -14.122 4.179 -21.362 1.00 0.00 C ATOM 989 C LEU A 70 -14.867 2.896 -21.129 1.00 0.00 C ATOM 990 O LEU A 70 -14.413 1.988 -20.428 1.00 0.00 O ATOM 991 CB LEU A 70 -13.771 4.227 -22.855 1.00 0.00 C ATOM 992 CG LEU A 70 -12.706 5.198 -23.313 1.00 0.00 C ATOM 993 CD1 LEU A 70 -12.495 5.099 -24.816 1.00 0.00 C ATOM 994 CD2 LEU A 70 -13.006 6.615 -22.906 1.00 0.00 C ATOM 0 H LEU A 70 -12.083 4.053 -21.037 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.720 5.052 -21.101 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.459 3.227 -23.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.685 4.454 -23.404 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.781 4.914 -22.811 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.725 5.807 -25.123 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.182 4.087 -25.074 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.427 5.332 -25.330 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.211 7.271 -23.259 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.955 6.926 -23.344 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.071 6.676 -21.820 1.00 0.00 H new ATOM 1006 N THR A 71 -15.939 2.789 -21.795 1.00 0.00 N ATOM 1007 CA THR A 71 -16.777 1.609 -21.762 1.00 0.00 C ATOM 1008 C THR A 71 -16.144 0.537 -22.647 1.00 0.00 C ATOM 1009 O THR A 71 -16.460 -0.650 -22.580 1.00 0.00 O ATOM 1010 CB THR A 71 -18.149 1.987 -22.274 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.956 2.894 -23.369 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.965 2.665 -21.183 1.00 0.00 C ATOM 0 H THR A 71 -16.293 3.526 -22.405 1.00 0.00 H new ATOM 0 HA THR A 71 -16.870 1.218 -20.749 1.00 0.00 H new ATOM 0 HB THR A 71 -18.693 1.096 -22.589 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.762 2.910 -23.926 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.948 2.928 -21.574 1.00 0.00 H new ATOM 0 HG22 THR A 71 -19.080 1.985 -20.339 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.452 3.569 -20.853 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.215 1.009 -23.462 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.416 0.200 -24.360 1.00 0.00 C ATOM 1022 C ASN A 72 -13.347 -0.528 -23.547 1.00 0.00 C ATOM 1023 O ASN A 72 -12.677 -1.435 -24.038 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.673 1.113 -25.378 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.553 2.084 -26.180 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.590 2.570 -25.717 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -14.130 2.399 -27.366 1.00 0.00 N ATOM 0 H ASN A 72 -14.991 2.003 -23.516 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.070 -0.499 -24.881 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.926 1.694 -24.837 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.135 0.477 -26.081 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.657 3.061 -27.936 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.271 1.985 -27.728 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.165 -0.088 -22.304 1.00 0.00 N ATOM 1035 CA GLY A 73 -12.158 -0.650 -21.452 1.00 0.00 C ATOM 1036 C GLY A 73 -10.840 -0.024 -21.770 1.00 0.00 C ATOM 1037 O GLY A 73 -9.785 -0.561 -21.472 1.00 0.00 O ATOM 0 H GLY A 73 -13.712 0.660 -21.877 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.413 -0.479 -20.406 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.105 -1.729 -21.594 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.907 1.117 -22.412 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.740 1.803 -22.833 1.00 0.00 C ATOM 1043 C LYS A 74 -9.601 3.099 -22.093 1.00 0.00 C ATOM 1044 O LYS A 74 -10.576 3.626 -21.578 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.788 2.044 -24.336 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.899 0.772 -25.173 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.714 -0.154 -24.944 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.874 -1.465 -25.690 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.974 -1.288 -27.153 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.781 1.586 -22.651 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.869 1.187 -22.609 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.637 2.689 -24.562 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.889 2.584 -24.634 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.823 0.250 -24.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.957 1.035 -26.229 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.798 0.340 -25.269 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.608 -0.353 -23.878 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.025 -2.111 -25.465 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.767 -1.975 -25.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.962 -2.219 -27.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.862 -0.797 -27.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.169 -0.723 -27.490 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.401 3.580 -22.019 1.00 0.00 N ATOM 1064 CA GLN A 75 -8.118 4.844 -21.389 1.00 0.00 C ATOM 1065 C GLN A 75 -8.327 5.988 -22.372 1.00 0.00 C ATOM 1066 O GLN A 75 -8.626 5.769 -23.559 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.698 4.872 -20.814 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.500 3.962 -19.614 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.094 4.039 -19.051 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -4.206 3.275 -19.429 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.875 4.964 -18.156 1.00 0.00 N ATOM 0 H GLN A 75 -7.579 3.108 -22.395 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.813 4.971 -20.559 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.995 4.584 -21.595 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.454 5.894 -20.526 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.214 4.232 -18.836 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.716 2.933 -19.903 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.633 5.581 -17.864 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.946 5.070 -17.748 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.169 7.178 -21.889 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.384 8.357 -22.662 1.00 0.00 C ATOM 1082 C ALA A 76 -7.076 8.878 -23.238 1.00 0.00 C ATOM 1083 O ALA A 76 -6.001 8.647 -22.663 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.022 9.422 -21.796 1.00 0.00 C ATOM 0 H ALA A 76 -7.881 7.360 -20.928 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.048 8.110 -23.491 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.186 10.322 -22.388 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.977 9.059 -21.417 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.363 9.653 -20.959 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.167 9.568 -24.400 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.032 10.230 -25.068 1.00 0.00 C ATOM 1092 C PRO A 77 -5.212 11.113 -24.126 1.00 0.00 C ATOM 1093 O PRO A 77 -5.732 11.659 -23.143 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.722 11.122 -26.093 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.978 10.424 -26.427 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.409 9.719 -25.176 1.00 0.00 C ATOM 0 HA PRO A 77 -5.330 9.501 -25.473 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.919 12.113 -25.684 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.100 11.260 -26.978 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.740 11.130 -26.758 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.825 9.715 -27.241 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.153 10.298 -24.629 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.859 8.752 -25.399 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.954 11.287 -24.458 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.017 12.080 -23.663 1.00 0.00 C ATOM 1106 C ASP A 78 -3.388 13.539 -23.683 1.00 0.00 C ATOM 1107 O ASP A 78 -3.184 14.260 -22.710 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.584 11.916 -24.174 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.050 10.524 -24.004 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.580 10.185 -22.900 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -1.080 9.734 -24.968 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.538 10.881 -25.296 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.074 11.712 -22.638 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.549 12.185 -25.230 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.935 12.614 -23.645 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.956 13.961 -24.781 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.368 15.335 -24.954 1.00 0.00 C ATOM 1118 C TRP A 79 -5.689 15.621 -24.244 1.00 0.00 C ATOM 1119 O TRP A 79 -6.054 16.769 -24.043 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.437 15.693 -26.442 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.306 14.803 -27.266 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.894 13.749 -27.992 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.724 14.899 -27.461 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.951 13.178 -28.639 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.087 13.865 -28.332 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.715 15.759 -26.987 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.396 13.659 -28.742 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.012 15.555 -27.391 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.343 14.515 -28.263 1.00 0.00 C ATOM 0 H TRP A 79 -4.148 13.363 -25.585 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.616 15.973 -24.489 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.798 16.717 -26.537 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.428 15.671 -26.853 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.873 13.404 -28.054 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.899 12.366 -29.254 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.468 16.568 -26.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.655 12.853 -29.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.790 16.210 -27.028 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.372 14.386 -28.564 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.391 14.576 -23.873 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.636 14.713 -23.175 1.00 0.00 C ATOM 1142 C LEU A 80 -7.323 14.727 -21.696 1.00 0.00 C ATOM 1143 O LEU A 80 -6.875 13.717 -21.130 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.604 13.564 -23.535 1.00 0.00 C ATOM 1145 CG LEU A 80 -9.999 13.637 -22.893 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.681 14.947 -23.231 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.869 12.472 -23.343 1.00 0.00 C ATOM 0 H LEU A 80 -6.111 13.611 -24.049 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.136 15.638 -23.463 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.724 13.542 -24.618 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.141 12.620 -23.246 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.867 13.577 -21.813 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.666 14.975 -22.766 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.080 15.777 -22.859 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.788 15.033 -24.312 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.850 12.548 -22.874 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.982 12.499 -24.427 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.399 11.533 -23.051 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.528 15.844 -21.081 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.149 16.030 -19.718 1.00 0.00 C ATOM 1161 C ALA A 81 -8.338 15.870 -18.832 1.00 0.00 C ATOM 1162 O ALA A 81 -9.439 16.235 -19.212 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.513 17.392 -19.527 1.00 0.00 C ATOM 0 H ALA A 81 -7.966 16.659 -21.511 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.413 15.273 -19.449 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.230 17.518 -18.482 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.626 17.471 -20.155 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.225 18.169 -19.806 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.120 15.312 -17.679 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.168 15.104 -16.721 1.00 0.00 C ATOM 1171 C ALA A 82 -8.636 15.354 -15.330 1.00 0.00 C ATOM 1172 O ALA A 82 -7.497 14.977 -15.020 1.00 0.00 O ATOM 1173 CB ALA A 82 -9.713 13.685 -16.828 1.00 0.00 C ATOM 0 H ALA A 82 -7.204 14.985 -17.373 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.981 15.800 -16.927 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.507 13.544 -16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.111 13.523 -17.830 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.911 12.972 -16.636 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.404 16.034 -14.527 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.054 16.265 -13.146 1.00 0.00 C ATOM 1181 C GLU A 83 -10.305 16.148 -12.289 1.00 0.00 C ATOM 1182 O GLU A 83 -11.392 16.568 -12.718 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.398 17.638 -12.942 1.00 0.00 C ATOM 1184 CG GLU A 83 -9.286 18.812 -13.281 1.00 0.00 C ATOM 1185 CD GLU A 83 -8.642 20.120 -12.963 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -7.965 20.685 -13.826 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -8.824 20.626 -11.832 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.293 16.447 -14.808 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.324 15.513 -12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.083 17.725 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.497 17.691 -13.554 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.536 18.781 -14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.223 18.727 -12.730 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.196 15.536 -11.109 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.323 15.375 -10.205 1.00 0.00 C ATOM 1196 C PRO A 84 -11.803 16.700 -9.617 1.00 0.00 C ATOM 1197 O PRO A 84 -10.995 17.583 -9.243 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.758 14.467 -9.115 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.308 14.698 -9.150 1.00 0.00 C ATOM 1200 CD PRO A 84 -8.986 14.886 -10.580 1.00 0.00 C ATOM 0 HA PRO A 84 -12.201 14.970 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.175 14.714 -8.139 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.997 13.421 -9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.034 15.576 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.763 13.852 -8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.101 15.508 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.788 13.937 -11.077 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.083 16.838 -9.540 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.714 17.990 -9.000 1.00 0.00 C ATOM 1210 C TYR A 85 -14.393 17.583 -7.714 1.00 0.00 C ATOM 1211 O TYR A 85 -15.481 16.962 -7.752 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.708 18.597 -10.006 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.453 19.836 -9.514 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.859 21.092 -9.553 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.756 19.746 -9.031 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.542 22.218 -9.123 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.440 20.862 -8.600 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.833 22.094 -8.646 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.523 23.213 -8.224 1.00 0.00 O ATOM 1220 OXT TYR A 85 -13.818 17.866 -6.644 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.739 16.127 -9.863 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.977 18.766 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.167 18.855 -10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.440 17.835 -10.275 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.850 21.192 -9.924 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.241 18.782 -8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.068 23.188 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.449 20.769 -8.227 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.417 22.951 -7.920 1.00 0.00 H new TER 1230 TYR A 85