USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 862 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 39 ASN : amide:sc= -1.59! C(o=-2.6!,f=-9.8!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1 K(o=-2.6,f=-4.9!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -163:sc= 0.206 (180deg=0) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= 0.208 USER MOD Single : A 4 ASN : amide:sc= -1.22! C(o=-1.2!,f=-7.3!) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.138 USER MOD Single : A 10 THR OG1 : rot -33:sc= 0.433 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.04! C(o=-3.6!,f=-1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 7:sc= 0.786 USER MOD Single : A 34 SER OG : rot -160:sc= -0.137 USER MOD Single : A 37 CYS SG : rot 15:sc= 0.388 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.75 F(o=-3.5!,f=-0.75) USER MOD Single : A 47 MET CE :methyl -146:sc= 0 (180deg=-0.654) USER MOD Single : A 53 GLN :FLIP amide:sc= -4.33! C(o=-6.3!,f=-4.3!) USER MOD Single : A 54 TYR OH : rot -110:sc= -0.0559 USER MOD Single : A 60 ASN : amide:sc= 1.01 K(o=1,f=-7!) USER MOD Single : A 61 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 1.77 (180deg=1.77) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -5.01! C(o=-5!,f=-5.9!) USER MOD Single : A 81 HIS : no HE2:sc= -0.415 K(o=-0.42,f=-1.6) USER MOD Single : A 83 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.46) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 91 THR OG1 : rot 71:sc= 1.28 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.23) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -118:sc= 1.16 (180deg=-0.0754) USER MOD Single : A 123 TYR OH : rot 54:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.202 8.394 -8.520 1.00 0.00 N ATOM 43 CA ASN A 4 -9.324 7.860 -7.750 1.00 0.00 C ATOM 44 C ASN A 4 -8.791 7.250 -6.488 1.00 0.00 C ATOM 45 O ASN A 4 -9.417 6.413 -5.853 1.00 0.00 O ATOM 46 CB ASN A 4 -10.160 6.819 -8.568 1.00 0.00 C ATOM 47 CG ASN A 4 -9.406 5.541 -9.000 1.00 0.00 C ATOM 48 OD1 ASN A 4 -9.988 4.457 -9.048 1.00 0.00 O ATOM 49 ND2 ASN A 4 -8.160 5.667 -9.412 1.00 0.00 N ATOM 0 HA ASN A 4 -10.005 8.677 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.023 6.525 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.544 7.311 -9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.660 4.857 -9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.696 6.574 -9.364 1.00 0.00 H new ATOM 56 N LYS A 5 -7.656 7.754 -6.087 1.00 0.00 N ATOM 57 CA LYS A 5 -6.976 7.224 -4.944 1.00 0.00 C ATOM 58 C LYS A 5 -7.389 7.955 -3.687 1.00 0.00 C ATOM 59 O LYS A 5 -6.971 9.086 -3.409 1.00 0.00 O ATOM 60 CB LYS A 5 -5.453 7.124 -5.165 1.00 0.00 C ATOM 61 CG LYS A 5 -4.737 8.429 -5.472 1.00 0.00 C ATOM 62 CD LYS A 5 -3.379 8.185 -6.131 1.00 0.00 C ATOM 63 CE LYS A 5 -3.568 7.622 -7.540 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.307 7.361 -8.253 1.00 0.00 N ATOM 0 H LYS A 5 -7.183 8.536 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.290 6.190 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.004 6.688 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.270 6.430 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.357 9.039 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.598 8.994 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.816 9.117 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.795 7.489 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.137 6.694 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.165 8.323 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.498 7.262 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.651 8.153 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.880 6.483 -7.894 1.00 0.00 H new ATOM 78 N VAL A 6 -8.306 7.336 -3.019 1.00 0.00 N ATOM 79 CA VAL A 6 -8.886 7.817 -1.805 1.00 0.00 C ATOM 80 C VAL A 6 -8.360 7.001 -0.622 1.00 0.00 C ATOM 81 O VAL A 6 -8.087 5.810 -0.766 1.00 0.00 O ATOM 82 CB VAL A 6 -10.447 7.764 -1.883 1.00 0.00 C ATOM 83 CG1 VAL A 6 -10.983 6.334 -1.955 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.107 8.561 -0.761 1.00 0.00 C ATOM 0 H VAL A 6 -8.690 6.439 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.600 8.859 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.721 8.246 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.072 6.356 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.587 5.841 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.674 5.784 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.191 8.495 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.802 8.153 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.800 9.605 -0.827 1.00 0.00 H new ATOM 94 N CYS A 7 -8.219 7.646 0.503 1.00 0.00 N ATOM 95 CA CYS A 7 -7.734 7.050 1.731 1.00 0.00 C ATOM 96 C CYS A 7 -8.946 6.471 2.445 1.00 0.00 C ATOM 97 O CYS A 7 -10.068 6.721 1.990 1.00 0.00 O ATOM 98 CB CYS A 7 -7.060 8.136 2.563 1.00 0.00 C ATOM 99 SG CYS A 7 -8.077 9.612 2.781 1.00 0.00 S ATOM 0 H CYS A 7 -8.445 8.636 0.600 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.002 6.262 1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.810 7.729 3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.122 8.418 2.086 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.431 10.482 3.500 1.00 0.00 H new ATOM 105 N GLY A 8 -8.721 5.678 3.525 1.00 0.00 N ATOM 106 CA GLY A 8 -9.747 4.845 4.115 1.00 0.00 C ATOM 107 C GLY A 8 -11.083 5.479 4.217 1.00 0.00 C ATOM 108 O GLY A 8 -11.240 6.531 4.808 1.00 0.00 O ATOM 0 H GLY A 8 -7.818 5.614 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.838 3.933 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.424 4.548 5.113 1.00 0.00 H new ATOM 112 N LEU A 9 -12.015 4.845 3.620 1.00 0.00 N ATOM 113 CA LEU A 9 -13.336 5.301 3.546 1.00 0.00 C ATOM 114 C LEU A 9 -14.179 4.068 3.714 1.00 0.00 C ATOM 115 O LEU A 9 -13.955 3.076 3.036 1.00 0.00 O ATOM 116 CB LEU A 9 -13.511 5.958 2.181 1.00 0.00 C ATOM 117 CG LEU A 9 -14.799 6.704 1.892 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.064 7.754 2.971 1.00 0.00 C ATOM 119 CD2 LEU A 9 -14.649 7.375 0.543 1.00 0.00 C ATOM 0 H LEU A 9 -11.866 3.953 3.149 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.613 6.039 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.686 6.657 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.402 5.181 1.424 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.641 6.011 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.992 8.279 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.149 7.265 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.240 8.467 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.561 7.922 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.808 8.068 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.469 6.619 -0.221 1.00 0.00 H new ATOM 131 N THR A 10 -15.111 4.112 4.614 1.00 0.00 N ATOM 132 CA THR A 10 -15.829 2.918 5.007 1.00 0.00 C ATOM 133 C THR A 10 -17.315 3.110 4.741 1.00 0.00 C ATOM 134 O THR A 10 -18.176 2.335 5.152 1.00 0.00 O ATOM 135 CB THR A 10 -15.512 2.566 6.508 1.00 0.00 C ATOM 136 OG1 THR A 10 -16.200 1.385 6.949 1.00 0.00 O ATOM 137 CG2 THR A 10 -15.819 3.741 7.434 1.00 0.00 C ATOM 0 H THR A 10 -15.401 4.962 5.098 1.00 0.00 H new ATOM 0 HA THR A 10 -15.502 2.065 4.412 1.00 0.00 H new ATOM 0 HB THR A 10 -14.443 2.359 6.557 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.068 1.325 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.589 3.463 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.213 4.600 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.875 4.000 7.356 1.00 0.00 H new ATOM 145 N ARG A 11 -17.596 4.139 4.003 1.00 0.00 N ATOM 146 CA ARG A 11 -18.922 4.423 3.594 1.00 0.00 C ATOM 147 C ARG A 11 -19.013 4.133 2.119 1.00 0.00 C ATOM 148 O ARG A 11 -18.367 4.791 1.324 1.00 0.00 O ATOM 149 CB ARG A 11 -19.302 5.870 3.912 1.00 0.00 C ATOM 150 CG ARG A 11 -19.511 6.149 5.392 1.00 0.00 C ATOM 151 CD ARG A 11 -19.735 7.635 5.669 1.00 0.00 C ATOM 152 NE ARG A 11 -20.817 8.217 4.860 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.950 8.755 5.343 1.00 0.00 C ATOM 154 NH1 ARG A 11 -22.276 8.622 6.632 1.00 0.00 N ATOM 155 NH2 ARG A 11 -22.769 9.406 4.527 1.00 0.00 N ATOM 0 H ARG A 11 -16.901 4.806 3.669 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.630 3.799 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.520 6.530 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.216 6.120 3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.369 5.580 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.642 5.803 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.966 7.770 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.811 8.178 5.473 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.697 8.212 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.662 8.107 7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -23.139 9.036 6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.538 9.496 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -23.630 9.816 4.889 1.00 0.00 H new ATOM 169 N GLY A 12 -19.761 3.122 1.768 1.00 0.00 N ATOM 170 CA GLY A 12 -19.905 2.704 0.379 1.00 0.00 C ATOM 171 C GLY A 12 -20.439 3.792 -0.536 1.00 0.00 C ATOM 172 O GLY A 12 -20.048 3.892 -1.690 1.00 0.00 O ATOM 0 H GLY A 12 -20.293 2.557 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.936 2.372 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.574 1.845 0.335 1.00 0.00 H new ATOM 176 N GLN A 13 -21.275 4.645 0.023 1.00 0.00 N ATOM 177 CA GLN A 13 -21.934 5.726 -0.698 1.00 0.00 C ATOM 178 C GLN A 13 -20.909 6.800 -1.018 1.00 0.00 C ATOM 179 O GLN A 13 -21.082 7.623 -1.902 1.00 0.00 O ATOM 180 CB GLN A 13 -23.055 6.358 0.153 1.00 0.00 C ATOM 181 CG GLN A 13 -24.027 5.397 0.864 1.00 0.00 C ATOM 182 CD GLN A 13 -23.438 4.791 2.137 1.00 0.00 C ATOM 183 OE1 GLN A 13 -22.838 3.630 2.034 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -23.551 5.362 3.204 1.00 0.00 N flip ATOM 0 H GLN A 13 -21.523 4.608 1.012 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.371 5.317 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.589 6.989 0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.640 7.014 -0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -24.943 5.933 1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.303 4.595 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -24.023 6.265 3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.173 4.938 4.052 1.00 0.00 H new ATOM 193 N ASP A 14 -19.855 6.753 -0.280 1.00 0.00 N ATOM 194 CA ASP A 14 -18.758 7.664 -0.366 1.00 0.00 C ATOM 195 C ASP A 14 -17.670 7.073 -1.250 1.00 0.00 C ATOM 196 O ASP A 14 -17.128 7.737 -2.143 1.00 0.00 O ATOM 197 CB ASP A 14 -18.236 7.894 1.056 1.00 0.00 C ATOM 198 CG ASP A 14 -19.063 8.862 1.851 1.00 0.00 C ATOM 199 OD1 ASP A 14 -20.173 8.504 2.281 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.599 9.985 2.092 1.00 0.00 O ATOM 0 H ASP A 14 -19.724 6.042 0.439 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.069 8.611 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.204 6.939 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.212 8.263 1.003 1.00 0.00 H new ATOM 205 N ALA A 15 -17.383 5.800 -1.015 1.00 0.00 N ATOM 206 CA ALA A 15 -16.359 5.053 -1.739 1.00 0.00 C ATOM 207 C ALA A 15 -16.701 4.909 -3.212 1.00 0.00 C ATOM 208 O ALA A 15 -15.805 4.888 -4.069 1.00 0.00 O ATOM 209 CB ALA A 15 -16.159 3.687 -1.102 1.00 0.00 C ATOM 0 H ALA A 15 -17.862 5.247 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.428 5.617 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.393 3.139 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.845 3.811 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.096 3.131 -1.133 1.00 0.00 H new ATOM 215 N LYS A 16 -17.996 4.846 -3.518 1.00 0.00 N ATOM 216 CA LYS A 16 -18.455 4.709 -4.894 1.00 0.00 C ATOM 217 C LYS A 16 -17.980 5.860 -5.772 1.00 0.00 C ATOM 218 O LYS A 16 -17.859 5.697 -6.956 1.00 0.00 O ATOM 219 CB LYS A 16 -19.977 4.558 -5.004 1.00 0.00 C ATOM 220 CG LYS A 16 -20.765 5.727 -4.441 1.00 0.00 C ATOM 221 CD LYS A 16 -22.241 5.651 -4.801 1.00 0.00 C ATOM 222 CE LYS A 16 -22.914 4.381 -4.301 1.00 0.00 C ATOM 223 NZ LYS A 16 -24.334 4.335 -4.696 1.00 0.00 N ATOM 0 H LYS A 16 -18.746 4.888 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.005 3.785 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.242 4.428 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.278 3.648 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.658 5.747 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.348 6.660 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.756 6.516 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.348 5.709 -5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.395 3.510 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.835 4.328 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -24.765 3.458 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -24.833 5.154 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -24.407 4.361 -5.733 1.00 0.00 H new ATOM 237 N ALA A 17 -17.682 7.009 -5.174 1.00 0.00 N ATOM 238 CA ALA A 17 -17.214 8.171 -5.926 1.00 0.00 C ATOM 239 C ALA A 17 -15.848 7.899 -6.579 1.00 0.00 C ATOM 240 O ALA A 17 -15.551 8.410 -7.657 1.00 0.00 O ATOM 241 CB ALA A 17 -17.145 9.392 -5.027 1.00 0.00 C ATOM 0 H ALA A 17 -17.756 7.162 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.931 8.367 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.795 10.249 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.136 9.605 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.455 9.200 -4.205 1.00 0.00 H new ATOM 247 N ALA A 18 -15.046 7.055 -5.943 1.00 0.00 N ATOM 248 CA ALA A 18 -13.730 6.704 -6.458 1.00 0.00 C ATOM 249 C ALA A 18 -13.887 5.604 -7.488 1.00 0.00 C ATOM 250 O ALA A 18 -13.189 5.550 -8.505 1.00 0.00 O ATOM 251 CB ALA A 18 -12.843 6.243 -5.323 1.00 0.00 C ATOM 0 H ALA A 18 -15.287 6.598 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.267 7.573 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.859 5.981 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.742 7.045 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.288 5.370 -4.845 1.00 0.00 H new ATOM 257 N TYR A 19 -14.837 4.742 -7.237 1.00 0.00 N ATOM 258 CA TYR A 19 -15.165 3.681 -8.152 1.00 0.00 C ATOM 259 C TYR A 19 -15.785 4.246 -9.412 1.00 0.00 C ATOM 260 O TYR A 19 -15.526 3.785 -10.513 1.00 0.00 O ATOM 261 CB TYR A 19 -16.066 2.638 -7.466 1.00 0.00 C ATOM 262 CG TYR A 19 -17.206 2.121 -8.325 1.00 0.00 C ATOM 263 CD1 TYR A 19 -16.998 1.099 -9.218 1.00 0.00 C ATOM 264 CD2 TYR A 19 -18.472 2.694 -8.263 1.00 0.00 C ATOM 265 CE1 TYR A 19 -18.012 0.651 -10.042 1.00 0.00 C ATOM 266 CE2 TYR A 19 -19.495 2.253 -9.073 1.00 0.00 C ATOM 267 CZ TYR A 19 -19.261 1.233 -9.965 1.00 0.00 C ATOM 268 OH TYR A 19 -20.274 0.807 -10.804 1.00 0.00 O ATOM 0 H TYR A 19 -15.406 4.756 -6.391 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.252 3.165 -8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.450 1.793 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.483 3.078 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.024 0.637 -9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.656 3.499 -7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.828 -0.150 -10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.474 2.705 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.089 1.319 -10.619 1.00 0.00 H new ATOM 278 N ASP A 20 -16.581 5.240 -9.245 1.00 0.00 N ATOM 279 CA ASP A 20 -17.209 5.895 -10.363 1.00 0.00 C ATOM 280 C ASP A 20 -16.183 6.712 -11.139 1.00 0.00 C ATOM 281 O ASP A 20 -16.306 6.911 -12.355 1.00 0.00 O ATOM 282 CB ASP A 20 -18.361 6.761 -9.891 1.00 0.00 C ATOM 283 CG ASP A 20 -19.101 7.391 -11.038 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.697 6.656 -11.849 1.00 0.00 O ATOM 285 OD2 ASP A 20 -19.118 8.626 -11.135 1.00 0.00 O ATOM 0 H ASP A 20 -16.823 5.631 -8.335 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.615 5.138 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.051 6.156 -9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.981 7.542 -9.232 1.00 0.00 H new ATOM 290 N ALA A 21 -15.135 7.131 -10.442 1.00 0.00 N ATOM 291 CA ALA A 21 -14.059 7.889 -11.056 1.00 0.00 C ATOM 292 C ALA A 21 -13.217 6.980 -11.945 1.00 0.00 C ATOM 293 O ALA A 21 -12.547 7.442 -12.862 1.00 0.00 O ATOM 294 CB ALA A 21 -13.196 8.558 -9.996 1.00 0.00 C ATOM 0 H ALA A 21 -15.009 6.956 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.496 8.672 -11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.397 9.120 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.809 9.236 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.763 7.798 -9.346 1.00 0.00 H new ATOM 300 N GLY A 22 -13.242 5.687 -11.668 1.00 0.00 N ATOM 301 CA GLY A 22 -12.605 4.770 -12.529 1.00 0.00 C ATOM 302 C GLY A 22 -12.647 3.356 -12.018 1.00 0.00 C ATOM 303 O GLY A 22 -12.582 2.437 -12.811 1.00 0.00 O ATOM 0 H GLY A 22 -13.699 5.274 -10.855 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.080 4.810 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.566 5.070 -12.666 1.00 0.00 H new ATOM 307 N ALA A 23 -12.756 3.170 -10.666 1.00 0.00 N ATOM 308 CA ALA A 23 -12.714 1.830 -10.031 1.00 0.00 C ATOM 309 C ALA A 23 -11.365 1.204 -10.262 1.00 0.00 C ATOM 310 O ALA A 23 -11.173 -0.001 -10.107 1.00 0.00 O ATOM 311 CB ALA A 23 -13.827 0.925 -10.547 1.00 0.00 C ATOM 0 H ALA A 23 -12.873 3.936 -10.003 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.875 1.954 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.762 -0.047 -10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.794 1.377 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.722 0.797 -11.624 1.00 0.00 H new ATOM 317 N ILE A 24 -10.427 2.068 -10.546 1.00 0.00 N ATOM 318 CA ILE A 24 -9.111 1.704 -10.933 1.00 0.00 C ATOM 319 C ILE A 24 -8.396 1.133 -9.752 1.00 0.00 C ATOM 320 O ILE A 24 -8.024 -0.022 -9.755 1.00 0.00 O ATOM 321 CB ILE A 24 -8.340 2.940 -11.458 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.205 3.720 -12.472 1.00 0.00 C ATOM 323 CG2 ILE A 24 -7.012 2.514 -12.088 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.566 4.997 -12.990 1.00 0.00 C ATOM 0 H ILE A 24 -10.574 3.077 -10.510 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.165 0.963 -11.731 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.121 3.599 -10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.426 3.070 -13.318 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.157 3.969 -12.003 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.483 3.395 -12.452 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.401 2.006 -11.341 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.205 1.837 -12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.241 5.481 -13.696 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.370 5.670 -12.155 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.628 4.757 -13.491 1.00 0.00 H new ATOM 336 N TYR A 25 -8.267 1.945 -8.730 1.00 0.00 N ATOM 337 CA TYR A 25 -7.576 1.582 -7.518 1.00 0.00 C ATOM 338 C TYR A 25 -7.666 2.750 -6.533 1.00 0.00 C ATOM 339 O TYR A 25 -7.733 3.909 -6.949 1.00 0.00 O ATOM 340 CB TYR A 25 -6.104 1.136 -7.804 1.00 0.00 C ATOM 341 CG TYR A 25 -5.075 2.138 -7.493 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.656 3.069 -8.417 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.541 2.160 -6.245 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.716 4.001 -8.078 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.625 3.062 -5.890 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.197 4.002 -6.803 1.00 0.00 C ATOM 347 OH TYR A 25 -2.247 4.942 -6.448 1.00 0.00 O ATOM 0 H TYR A 25 -8.646 2.892 -8.718 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.055 0.714 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.896 0.234 -7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.021 0.868 -8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.072 3.063 -9.414 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.866 1.428 -5.521 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.384 4.729 -8.803 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.219 3.056 -4.889 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.985 4.806 -5.513 1.00 0.00 H new ATOM 357 N GLY A 26 -7.638 2.456 -5.263 1.00 0.00 N ATOM 358 CA GLY A 26 -7.745 3.479 -4.255 1.00 0.00 C ATOM 359 C GLY A 26 -6.490 3.518 -3.415 1.00 0.00 C ATOM 360 O GLY A 26 -5.773 2.525 -3.356 1.00 0.00 O ATOM 0 H GLY A 26 -7.541 1.509 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.906 4.449 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.610 3.285 -3.621 1.00 0.00 H new ATOM 364 N GLY A 27 -6.242 4.625 -2.739 1.00 0.00 N ATOM 365 CA GLY A 27 -4.997 4.795 -2.007 1.00 0.00 C ATOM 366 C GLY A 27 -5.214 4.781 -0.518 1.00 0.00 C ATOM 367 O GLY A 27 -5.228 5.829 0.131 1.00 0.00 O ATOM 0 H GLY A 27 -6.882 5.417 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.304 3.999 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.531 5.737 -2.297 1.00 0.00 H new ATOM 371 N LEU A 28 -5.345 3.616 0.021 1.00 0.00 N ATOM 372 CA LEU A 28 -5.666 3.438 1.396 1.00 0.00 C ATOM 373 C LEU A 28 -4.548 2.724 2.095 1.00 0.00 C ATOM 374 O LEU A 28 -3.797 1.977 1.486 1.00 0.00 O ATOM 375 CB LEU A 28 -7.055 2.710 1.592 1.00 0.00 C ATOM 376 CG LEU A 28 -7.268 1.233 1.073 1.00 0.00 C ATOM 377 CD1 LEU A 28 -6.933 1.052 -0.392 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.561 0.187 1.930 1.00 0.00 C ATOM 0 H LEU A 28 -5.229 2.743 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.778 4.422 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.270 2.709 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.813 3.331 1.115 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.340 1.063 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.103 0.014 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.568 1.703 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.887 1.308 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.747 -0.806 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.489 0.383 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.941 0.235 2.950 1.00 0.00 H new ATOM 390 N ILE A 29 -4.388 3.016 3.332 1.00 0.00 N ATOM 391 CA ILE A 29 -3.398 2.334 4.133 1.00 0.00 C ATOM 392 C ILE A 29 -4.094 1.584 5.259 1.00 0.00 C ATOM 393 O ILE A 29 -5.122 2.047 5.744 1.00 0.00 O ATOM 394 CB ILE A 29 -2.388 3.291 4.737 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.035 4.422 3.780 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.173 2.518 5.118 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.055 5.440 4.336 1.00 0.00 C ATOM 0 H ILE A 29 -4.926 3.725 3.830 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.862 1.648 3.477 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.825 3.757 5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.615 3.993 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.952 4.938 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.435 3.191 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.442 1.753 5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.751 2.043 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.863 6.207 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.478 5.902 5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.120 4.942 4.594 1.00 0.00 H new ATOM 409 N PHE A 30 -3.516 0.476 5.704 1.00 0.00 N ATOM 410 CA PHE A 30 -4.140 -0.377 6.704 1.00 0.00 C ATOM 411 C PHE A 30 -3.914 0.150 8.113 1.00 0.00 C ATOM 412 O PHE A 30 -3.034 -0.334 8.825 1.00 0.00 O ATOM 413 CB PHE A 30 -3.592 -1.819 6.648 1.00 0.00 C ATOM 414 CG PHE A 30 -3.419 -2.376 5.277 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.456 -3.023 4.620 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.198 -2.249 4.643 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.265 -3.525 3.343 1.00 0.00 C ATOM 418 CE2 PHE A 30 -2.002 -2.742 3.391 1.00 0.00 C ATOM 419 CZ PHE A 30 -3.029 -3.380 2.730 1.00 0.00 C ATOM 0 H PHE A 30 -2.606 0.145 5.383 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.205 -0.375 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.629 -1.845 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.266 -2.469 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.414 -3.135 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.386 -1.750 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.072 -4.025 2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.039 -2.633 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.872 -3.767 1.734 1.00 0.00 H new ATOM 429 N VAL A 31 -4.614 1.178 8.481 1.00 0.00 N ATOM 430 CA VAL A 31 -4.579 1.607 9.863 1.00 0.00 C ATOM 431 C VAL A 31 -5.800 1.055 10.571 1.00 0.00 C ATOM 432 O VAL A 31 -6.940 1.324 10.159 1.00 0.00 O ATOM 433 CB VAL A 31 -4.482 3.139 10.039 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.519 3.508 11.515 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.208 3.671 9.396 1.00 0.00 C ATOM 0 H VAL A 31 -5.209 1.733 7.865 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.665 1.213 10.308 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.339 3.596 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.450 4.591 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.454 3.159 11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.680 3.039 12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.157 4.752 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.342 3.206 9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.213 3.437 8.331 1.00 0.00 H new ATOM 445 N ALA A 32 -5.548 0.288 11.627 1.00 0.00 N ATOM 446 CA ALA A 32 -6.562 -0.438 12.371 1.00 0.00 C ATOM 447 C ALA A 32 -7.753 0.417 12.771 1.00 0.00 C ATOM 448 O ALA A 32 -7.645 1.335 13.598 1.00 0.00 O ATOM 449 CB ALA A 32 -5.957 -1.112 13.594 1.00 0.00 C ATOM 0 H ALA A 32 -4.607 0.153 11.996 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.945 -1.198 11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.735 -1.650 14.136 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.184 -1.813 13.278 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.517 -0.357 14.245 1.00 0.00 H new ATOM 455 N THR A 33 -8.855 0.141 12.111 1.00 0.00 N ATOM 456 CA THR A 33 -10.184 0.685 12.371 1.00 0.00 C ATOM 457 C THR A 33 -10.288 2.204 12.193 1.00 0.00 C ATOM 458 O THR A 33 -11.158 2.844 12.774 1.00 0.00 O ATOM 459 CB THR A 33 -10.758 0.225 13.755 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.913 0.646 14.853 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.904 -1.290 13.792 1.00 0.00 C ATOM 0 H THR A 33 -8.855 -0.511 11.326 1.00 0.00 H new ATOM 0 HA THR A 33 -10.814 0.256 11.592 1.00 0.00 H new ATOM 0 HB THR A 33 -11.735 0.695 13.870 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.206 1.235 14.515 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.304 -1.593 14.760 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.584 -1.609 13.002 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.929 -1.753 13.641 1.00 0.00 H new ATOM 469 N SER A 34 -9.449 2.778 11.365 1.00 0.00 N ATOM 470 CA SER A 34 -9.554 4.182 11.125 1.00 0.00 C ATOM 471 C SER A 34 -10.481 4.474 9.939 1.00 0.00 C ATOM 472 O SER A 34 -10.468 3.773 8.953 1.00 0.00 O ATOM 473 CB SER A 34 -8.177 4.771 10.918 1.00 0.00 C ATOM 474 OG SER A 34 -7.412 4.614 12.101 1.00 0.00 O ATOM 0 H SER A 34 -8.703 2.300 10.859 1.00 0.00 H new ATOM 0 HA SER A 34 -10.001 4.656 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.680 4.277 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.257 5.827 10.661 1.00 0.00 H new ATOM 0 HG SER A 34 -6.666 5.249 12.095 1.00 0.00 H new ATOM 480 N PRO A 35 -11.315 5.509 10.027 1.00 0.00 N ATOM 481 CA PRO A 35 -12.203 5.887 8.931 1.00 0.00 C ATOM 482 C PRO A 35 -11.508 6.832 7.958 1.00 0.00 C ATOM 483 O PRO A 35 -12.150 7.534 7.184 1.00 0.00 O ATOM 484 CB PRO A 35 -13.336 6.598 9.648 1.00 0.00 C ATOM 485 CG PRO A 35 -12.689 7.244 10.831 1.00 0.00 C ATOM 486 CD PRO A 35 -11.521 6.365 11.217 1.00 0.00 C ATOM 0 HA PRO A 35 -12.528 5.037 8.332 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.811 7.338 9.003 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.112 5.897 9.955 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.352 8.251 10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.395 7.336 11.657 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.633 6.956 11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.743 5.771 12.104 1.00 0.00 H new ATOM 494 N ARG A 36 -10.201 6.876 8.064 1.00 0.00 N ATOM 495 CA ARG A 36 -9.356 7.677 7.195 1.00 0.00 C ATOM 496 C ARG A 36 -8.278 6.824 6.539 1.00 0.00 C ATOM 497 O ARG A 36 -7.551 7.277 5.672 1.00 0.00 O ATOM 498 CB ARG A 36 -8.757 8.843 7.973 1.00 0.00 C ATOM 499 CG ARG A 36 -7.991 8.460 9.220 1.00 0.00 C ATOM 500 CD ARG A 36 -7.647 9.691 10.043 1.00 0.00 C ATOM 501 NE ARG A 36 -8.870 10.431 10.433 1.00 0.00 N ATOM 502 CZ ARG A 36 -9.112 10.949 11.647 1.00 0.00 C ATOM 503 NH1 ARG A 36 -8.189 10.875 12.605 1.00 0.00 N ATOM 504 NH2 ARG A 36 -10.273 11.556 11.888 1.00 0.00 N ATOM 0 H ARG A 36 -9.682 6.349 8.766 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.970 8.087 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.090 9.396 7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.561 9.523 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.585 7.771 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.077 7.935 8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.098 9.393 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.990 10.344 9.469 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.588 10.557 9.719 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.294 10.423 12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.377 11.270 13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.975 11.626 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.460 11.951 12.810 1.00 0.00 H new ATOM 518 N CYS A 37 -8.247 5.569 6.920 1.00 0.00 N ATOM 519 CA CYS A 37 -7.275 4.594 6.487 1.00 0.00 C ATOM 520 C CYS A 37 -7.918 3.241 6.672 1.00 0.00 C ATOM 521 O CYS A 37 -8.263 2.885 7.774 1.00 0.00 O ATOM 522 CB CYS A 37 -5.988 4.698 7.313 1.00 0.00 C ATOM 523 SG CYS A 37 -4.983 6.171 7.014 1.00 0.00 S ATOM 0 H CYS A 37 -8.931 5.182 7.571 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.994 4.759 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.253 4.670 8.370 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.378 3.817 7.114 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.687 7.053 6.369 1.00 0.00 H new ATOM 529 N VAL A 38 -8.051 2.491 5.627 1.00 0.00 N ATOM 530 CA VAL A 38 -8.816 1.283 5.691 1.00 0.00 C ATOM 531 C VAL A 38 -7.938 0.065 5.790 1.00 0.00 C ATOM 532 O VAL A 38 -6.934 -0.069 5.115 1.00 0.00 O ATOM 533 CB VAL A 38 -9.817 1.203 4.469 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.023 -0.207 3.952 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.160 1.768 4.871 1.00 0.00 C ATOM 0 H VAL A 38 -7.640 2.692 4.715 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.407 1.303 6.607 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.366 1.786 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.720 -0.189 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.069 -0.616 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.428 -0.831 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.846 1.711 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.562 1.192 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.041 2.809 5.172 1.00 0.00 H new ATOM 545 N ASN A 39 -8.357 -0.810 6.639 1.00 0.00 N ATOM 546 CA ASN A 39 -7.700 -2.054 6.863 1.00 0.00 C ATOM 547 C ASN A 39 -8.461 -3.129 6.195 1.00 0.00 C ATOM 548 O ASN A 39 -9.584 -2.889 5.726 1.00 0.00 O ATOM 549 CB ASN A 39 -7.482 -2.327 8.363 1.00 0.00 C ATOM 550 CG ASN A 39 -8.711 -2.097 9.194 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.967 -1.005 9.630 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.433 -3.105 9.469 1.00 0.00 N ATOM 0 H ASN A 39 -9.190 -0.677 7.213 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.702 -2.016 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.152 -3.358 8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.680 -1.686 8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.249 -2.999 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.196 -4.021 9.088 1.00 0.00 H new ATOM 559 N VAL A 40 -7.867 -4.311 6.156 1.00 0.00 N ATOM 560 CA VAL A 40 -8.420 -5.496 5.489 1.00 0.00 C ATOM 561 C VAL A 40 -9.910 -5.685 5.764 1.00 0.00 C ATOM 562 O VAL A 40 -10.680 -5.942 4.852 1.00 0.00 O ATOM 563 CB VAL A 40 -7.595 -6.790 5.859 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.379 -6.898 7.350 1.00 0.00 C ATOM 565 CG2 VAL A 40 -8.266 -8.062 5.361 1.00 0.00 C ATOM 0 H VAL A 40 -6.964 -4.485 6.596 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.326 -5.328 4.416 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.632 -6.687 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.808 -7.800 7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.829 -6.025 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.344 -6.947 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.661 -8.925 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.255 -8.152 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.363 -8.021 4.276 1.00 0.00 H new ATOM 575 N GLU A 41 -10.297 -5.412 6.982 1.00 0.00 N ATOM 576 CA GLU A 41 -11.632 -5.625 7.445 1.00 0.00 C ATOM 577 C GLU A 41 -12.635 -4.674 6.801 1.00 0.00 C ATOM 578 O GLU A 41 -13.677 -5.114 6.349 1.00 0.00 O ATOM 579 CB GLU A 41 -11.650 -5.484 8.921 1.00 0.00 C ATOM 580 CG GLU A 41 -10.932 -6.568 9.675 1.00 0.00 C ATOM 581 CD GLU A 41 -10.860 -6.252 11.136 1.00 0.00 C ATOM 582 OE1 GLU A 41 -11.892 -6.253 11.798 1.00 0.00 O ATOM 583 OE2 GLU A 41 -9.758 -5.978 11.638 1.00 0.00 O ATOM 0 H GLU A 41 -9.674 -5.027 7.692 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.938 -6.631 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.205 -4.524 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.687 -5.457 9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.447 -7.518 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.925 -6.687 9.276 1.00 0.00 H new ATOM 590 N GLN A 42 -12.356 -3.380 6.771 1.00 0.00 N ATOM 591 CA GLN A 42 -13.266 -2.490 6.096 1.00 0.00 C ATOM 592 C GLN A 42 -13.236 -2.732 4.608 1.00 0.00 C ATOM 593 O GLN A 42 -14.263 -2.788 3.989 1.00 0.00 O ATOM 594 CB GLN A 42 -12.921 -1.069 6.394 1.00 0.00 C ATOM 595 CG GLN A 42 -13.140 -0.700 7.827 1.00 0.00 C ATOM 596 CD GLN A 42 -12.338 0.463 8.186 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.758 1.606 8.071 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.184 0.191 8.643 1.00 0.00 N ATOM 0 H GLN A 42 -11.537 -2.942 7.191 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.274 -2.689 6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.877 -0.893 6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.521 -0.415 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.195 -0.487 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.878 -1.541 8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.881 -0.780 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.560 0.944 8.934 1.00 0.00 H new ATOM 607 N ALA A 43 -12.045 -2.963 4.070 1.00 0.00 N ATOM 608 CA ALA A 43 -11.841 -3.120 2.625 1.00 0.00 C ATOM 609 C ALA A 43 -12.697 -4.229 2.036 1.00 0.00 C ATOM 610 O ALA A 43 -13.262 -4.078 0.967 1.00 0.00 O ATOM 611 CB ALA A 43 -10.377 -3.366 2.312 1.00 0.00 C ATOM 0 H ALA A 43 -11.189 -3.048 4.619 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.154 -2.185 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.249 -3.479 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.783 -2.521 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.045 -4.275 2.814 1.00 0.00 H new ATOM 617 N GLN A 44 -12.820 -5.332 2.751 1.00 0.00 N ATOM 618 CA GLN A 44 -13.604 -6.406 2.301 1.00 0.00 C ATOM 619 C GLN A 44 -15.085 -6.079 2.200 1.00 0.00 C ATOM 620 O GLN A 44 -15.810 -6.622 1.373 1.00 0.00 O ATOM 621 CB GLN A 44 -13.359 -7.583 3.125 1.00 0.00 C ATOM 622 CG GLN A 44 -13.337 -7.451 4.603 1.00 0.00 C ATOM 623 CD GLN A 44 -12.442 -8.510 5.160 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.388 -8.807 4.412 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -12.644 -9.017 6.263 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.370 -5.483 3.654 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.295 -6.621 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.121 -8.321 2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.399 -8.000 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.978 -6.462 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.344 -7.554 5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.470 -8.756 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.985 -9.699 6.639 1.00 0.00 H new ATOM 634 N GLU A 45 -15.501 -5.192 3.037 1.00 0.00 N ATOM 635 CA GLU A 45 -16.860 -4.668 3.044 1.00 0.00 C ATOM 636 C GLU A 45 -16.999 -3.642 1.926 1.00 0.00 C ATOM 637 O GLU A 45 -17.957 -3.654 1.162 1.00 0.00 O ATOM 638 CB GLU A 45 -17.143 -3.970 4.369 1.00 0.00 C ATOM 639 CG GLU A 45 -16.963 -4.864 5.596 1.00 0.00 C ATOM 640 CD GLU A 45 -17.306 -4.171 6.900 1.00 0.00 C ATOM 641 OE1 GLU A 45 -18.501 -4.121 7.269 1.00 0.00 O ATOM 642 OE2 GLU A 45 -16.388 -3.688 7.602 1.00 0.00 O ATOM 0 H GLU A 45 -14.906 -4.789 3.761 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.560 -5.491 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.483 -3.107 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.165 -3.590 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.590 -5.749 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.930 -5.209 5.637 1.00 0.00 H new ATOM 649 N VAL A 46 -16.002 -2.777 1.835 1.00 0.00 N ATOM 650 CA VAL A 46 -15.956 -1.696 0.859 1.00 0.00 C ATOM 651 C VAL A 46 -16.007 -2.243 -0.576 1.00 0.00 C ATOM 652 O VAL A 46 -16.665 -1.670 -1.447 1.00 0.00 O ATOM 653 CB VAL A 46 -14.679 -0.810 1.044 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.670 0.335 0.087 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.571 -0.267 2.450 1.00 0.00 C ATOM 0 H VAL A 46 -15.187 -2.805 2.447 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.835 -1.074 1.030 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.825 -1.458 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.770 0.931 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.683 -0.045 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.550 0.956 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.671 0.342 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.446 0.344 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.518 -1.095 3.157 1.00 0.00 H new ATOM 665 N MET A 47 -15.371 -3.382 -0.801 1.00 0.00 N ATOM 666 CA MET A 47 -15.335 -3.996 -2.133 1.00 0.00 C ATOM 667 C MET A 47 -16.691 -4.576 -2.538 1.00 0.00 C ATOM 668 O MET A 47 -16.886 -4.988 -3.678 1.00 0.00 O ATOM 669 CB MET A 47 -14.211 -5.047 -2.253 1.00 0.00 C ATOM 670 CG MET A 47 -14.396 -6.323 -1.452 1.00 0.00 C ATOM 671 SD MET A 47 -12.972 -7.435 -1.605 1.00 0.00 S ATOM 672 CE MET A 47 -13.505 -8.810 -0.587 1.00 0.00 C ATOM 0 H MET A 47 -14.870 -3.905 -0.083 1.00 0.00 H new ATOM 0 HA MET A 47 -15.107 -3.196 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 47 -14.104 -5.315 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 47 -13.274 -4.583 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.549 -6.073 -0.402 1.00 0.00 H new ATOM 0 HG3 MET A 47 -15.295 -6.837 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.641 -9.249 -0.087 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.215 -8.456 0.160 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.983 -9.563 -1.214 1.00 0.00 H new ATOM 682 N ALA A 48 -17.624 -4.597 -1.605 1.00 0.00 N ATOM 683 CA ALA A 48 -18.972 -5.049 -1.879 1.00 0.00 C ATOM 684 C ALA A 48 -19.847 -3.846 -2.228 1.00 0.00 C ATOM 685 O ALA A 48 -21.006 -3.987 -2.640 1.00 0.00 O ATOM 686 CB ALA A 48 -19.534 -5.786 -0.676 1.00 0.00 C ATOM 0 H ALA A 48 -17.469 -4.302 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.959 -5.738 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.548 -6.120 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.907 -6.649 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.551 -5.118 0.185 1.00 0.00 H new ATOM 692 N ALA A 49 -19.281 -2.670 -2.071 1.00 0.00 N ATOM 693 CA ALA A 49 -19.973 -1.434 -2.351 1.00 0.00 C ATOM 694 C ALA A 49 -19.385 -0.771 -3.588 1.00 0.00 C ATOM 695 O ALA A 49 -20.109 -0.379 -4.500 1.00 0.00 O ATOM 696 CB ALA A 49 -19.891 -0.506 -1.150 1.00 0.00 C ATOM 0 H ALA A 49 -18.323 -2.545 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 49 -21.023 -1.651 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -20.416 0.423 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -20.352 -0.986 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.846 -0.288 -0.929 1.00 0.00 H new ATOM 702 N ALA A 50 -18.073 -0.674 -3.629 1.00 0.00 N ATOM 703 CA ALA A 50 -17.392 -0.089 -4.716 1.00 0.00 C ATOM 704 C ALA A 50 -16.235 -0.996 -5.054 1.00 0.00 C ATOM 705 O ALA A 50 -15.261 -1.061 -4.303 1.00 0.00 O ATOM 706 CB ALA A 50 -16.905 1.301 -4.338 1.00 0.00 C ATOM 0 H ALA A 50 -17.459 -1.011 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.048 0.022 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.380 1.745 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.758 1.925 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.227 1.230 -3.487 1.00 0.00 H new ATOM 712 N PRO A 51 -16.345 -1.765 -6.149 1.00 0.00 N ATOM 713 CA PRO A 51 -15.310 -2.722 -6.562 1.00 0.00 C ATOM 714 C PRO A 51 -14.050 -2.041 -7.130 1.00 0.00 C ATOM 715 O PRO A 51 -13.684 -2.214 -8.309 1.00 0.00 O ATOM 716 CB PRO A 51 -16.017 -3.566 -7.626 1.00 0.00 C ATOM 717 CG PRO A 51 -17.045 -2.657 -8.201 1.00 0.00 C ATOM 718 CD PRO A 51 -17.506 -1.786 -7.068 1.00 0.00 C ATOM 0 HA PRO A 51 -14.935 -3.305 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.318 -3.908 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.473 -4.455 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.627 -2.057 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.876 -3.224 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.763 -0.784 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.393 -2.194 -6.584 1.00 0.00 H new ATOM 726 N LEU A 52 -13.419 -1.260 -6.298 1.00 0.00 N ATOM 727 CA LEU A 52 -12.177 -0.612 -6.619 1.00 0.00 C ATOM 728 C LEU A 52 -11.015 -1.375 -6.017 1.00 0.00 C ATOM 729 O LEU A 52 -11.130 -1.955 -4.940 1.00 0.00 O ATOM 730 CB LEU A 52 -12.200 0.889 -6.232 1.00 0.00 C ATOM 731 CG LEU A 52 -12.992 1.270 -4.964 1.00 0.00 C ATOM 732 CD1 LEU A 52 -12.236 0.954 -3.690 1.00 0.00 C ATOM 733 CD2 LEU A 52 -13.444 2.712 -4.997 1.00 0.00 C ATOM 0 H LEU A 52 -13.760 -1.052 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.038 -0.629 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.170 1.222 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.612 1.450 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.886 0.646 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.838 1.242 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.028 -0.115 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.297 1.507 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.998 2.941 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.574 3.365 -5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.087 2.872 -5.863 1.00 0.00 H new ATOM 745 N GLN A 53 -9.934 -1.391 -6.736 1.00 0.00 N ATOM 746 CA GLN A 53 -8.753 -2.138 -6.400 1.00 0.00 C ATOM 747 C GLN A 53 -8.024 -1.444 -5.219 1.00 0.00 C ATOM 748 O GLN A 53 -8.142 -0.238 -5.042 1.00 0.00 O ATOM 749 CB GLN A 53 -7.903 -2.152 -7.664 1.00 0.00 C ATOM 750 CG GLN A 53 -7.293 -3.476 -8.050 1.00 0.00 C ATOM 751 CD GLN A 53 -6.219 -3.941 -7.118 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.538 -3.017 -6.520 1.00 0.00 O flip ATOM 753 NE2 GLN A 53 -5.994 -5.123 -6.949 1.00 0.00 N flip ATOM 0 H GLN A 53 -9.844 -0.866 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.972 -3.156 -6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.519 -1.806 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.097 -1.428 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.079 -4.230 -8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.879 -3.395 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.552 -5.823 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.247 -5.415 -6.318 1.00 0.00 H new ATOM 762 N TYR A 54 -7.252 -2.187 -4.452 1.00 0.00 N ATOM 763 CA TYR A 54 -6.636 -1.641 -3.254 1.00 0.00 C ATOM 764 C TYR A 54 -5.106 -1.669 -3.317 1.00 0.00 C ATOM 765 O TYR A 54 -4.498 -2.482 -4.039 1.00 0.00 O ATOM 766 CB TYR A 54 -7.131 -2.402 -2.017 1.00 0.00 C ATOM 767 CG TYR A 54 -8.633 -2.387 -1.855 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.304 -1.215 -1.550 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.383 -3.540 -2.032 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.661 -1.185 -1.418 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.753 -3.517 -1.905 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.384 -2.328 -1.595 1.00 0.00 C ATOM 773 OH TYR A 54 -12.737 -2.279 -1.478 1.00 0.00 O ATOM 0 H TYR A 54 -7.035 -3.167 -4.634 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.933 -0.595 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.791 -3.436 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.674 -1.968 -1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.740 -0.304 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.885 -4.468 -2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.161 -0.260 -1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.329 -4.420 -2.046 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.012 -2.748 -0.663 1.00 0.00 H new ATOM 783 N VAL A 55 -4.501 -0.792 -2.572 1.00 0.00 N ATOM 784 CA VAL A 55 -3.069 -0.700 -2.454 1.00 0.00 C ATOM 785 C VAL A 55 -2.785 -0.637 -0.951 1.00 0.00 C ATOM 786 O VAL A 55 -3.715 -0.435 -0.175 1.00 0.00 O ATOM 787 CB VAL A 55 -2.501 0.586 -3.178 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.874 1.858 -2.443 1.00 0.00 C ATOM 789 CG2 VAL A 55 -1.000 0.503 -3.361 1.00 0.00 C ATOM 0 H VAL A 55 -5.000 -0.100 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.584 -1.552 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.964 0.621 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.465 2.718 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.959 1.945 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.467 1.827 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.644 1.403 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.519 0.415 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.755 -0.370 -3.966 1.00 0.00 H new ATOM 799 N GLY A 56 -1.567 -0.857 -0.549 1.00 0.00 N ATOM 800 CA GLY A 56 -1.232 -0.759 0.861 1.00 0.00 C ATOM 801 C GLY A 56 0.094 -0.114 1.088 1.00 0.00 C ATOM 802 O GLY A 56 0.968 -0.257 0.273 1.00 0.00 O ATOM 0 H GLY A 56 -0.790 -1.103 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.004 -0.187 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.228 -1.756 1.301 1.00 0.00 H new ATOM 806 N VAL A 57 0.249 0.620 2.184 1.00 0.00 N ATOM 807 CA VAL A 57 1.555 1.225 2.508 1.00 0.00 C ATOM 808 C VAL A 57 1.941 0.782 3.914 1.00 0.00 C ATOM 809 O VAL A 57 1.387 1.263 4.874 1.00 0.00 O ATOM 810 CB VAL A 57 1.486 2.792 2.463 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.850 3.426 2.710 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.884 3.295 1.150 1.00 0.00 C ATOM 0 H VAL A 57 -0.492 0.814 2.858 1.00 0.00 H new ATOM 0 HA VAL A 57 2.292 0.900 1.773 1.00 0.00 H new ATOM 0 HB VAL A 57 0.825 3.100 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.759 4.511 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.217 3.128 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.550 3.092 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.853 4.385 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.497 2.955 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.128 2.904 1.040 1.00 0.00 H new ATOM 822 N PHE A 58 2.881 -0.108 4.068 1.00 0.00 N ATOM 823 CA PHE A 58 3.099 -0.616 5.403 1.00 0.00 C ATOM 824 C PHE A 58 4.532 -1.079 5.612 1.00 0.00 C ATOM 825 O PHE A 58 5.153 -1.655 4.721 1.00 0.00 O ATOM 826 CB PHE A 58 2.114 -1.783 5.660 1.00 0.00 C ATOM 827 CG PHE A 58 1.723 -1.993 7.106 1.00 0.00 C ATOM 828 CD1 PHE A 58 2.511 -2.732 7.965 1.00 0.00 C ATOM 829 CD2 PHE A 58 0.541 -1.456 7.592 1.00 0.00 C ATOM 830 CE1 PHE A 58 2.136 -2.929 9.281 1.00 0.00 C ATOM 831 CE2 PHE A 58 0.160 -1.648 8.906 1.00 0.00 C ATOM 832 CZ PHE A 58 0.960 -2.387 9.752 1.00 0.00 C ATOM 0 H PHE A 58 3.482 -0.484 3.334 1.00 0.00 H new ATOM 0 HA PHE A 58 2.921 0.192 6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.209 -1.608 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.561 -2.703 5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.433 -3.162 7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.091 -0.879 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.765 -3.508 9.940 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.762 -1.220 9.270 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.666 -2.540 10.780 1.00 0.00 H new ATOM 842 N ARG A 59 5.050 -0.785 6.777 1.00 0.00 N ATOM 843 CA ARG A 59 6.319 -1.308 7.221 1.00 0.00 C ATOM 844 C ARG A 59 6.024 -2.397 8.200 1.00 0.00 C ATOM 845 O ARG A 59 5.712 -2.157 9.376 1.00 0.00 O ATOM 846 CB ARG A 59 7.244 -0.219 7.783 1.00 0.00 C ATOM 847 CG ARG A 59 6.571 0.784 8.692 1.00 0.00 C ATOM 848 CD ARG A 59 7.511 1.907 9.078 1.00 0.00 C ATOM 849 NE ARG A 59 6.764 3.036 9.620 1.00 0.00 N ATOM 850 CZ ARG A 59 6.985 4.316 9.299 1.00 0.00 C ATOM 851 NH1 ARG A 59 8.146 4.685 8.742 1.00 0.00 N ATOM 852 NH2 ARG A 59 6.091 5.244 9.636 1.00 0.00 N ATOM 0 H ARG A 59 4.598 -0.169 7.453 1.00 0.00 H new ATOM 0 HA ARG A 59 6.880 -1.713 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.054 -0.699 8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.698 0.316 6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.695 1.198 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.217 0.280 9.591 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.229 1.550 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.082 2.226 8.206 1.00 0.00 H new ATOM 0 HE ARG A 59 6.022 2.836 10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.868 3.988 8.560 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.308 5.663 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.243 4.977 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.254 6.221 9.394 1.00 0.00 H new ATOM 866 N ASN A 60 6.010 -3.578 7.685 1.00 0.00 N ATOM 867 CA ASN A 60 5.585 -4.681 8.375 1.00 0.00 C ATOM 868 C ASN A 60 6.771 -5.452 8.807 1.00 0.00 C ATOM 869 O ASN A 60 7.823 -5.419 8.190 1.00 0.00 O ATOM 870 CB ASN A 60 4.695 -5.524 7.472 1.00 0.00 C ATOM 871 CG ASN A 60 3.687 -6.355 8.230 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.925 -6.799 9.358 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.540 -6.535 7.633 1.00 0.00 N ATOM 0 H ASN A 60 6.312 -3.778 6.732 1.00 0.00 H new ATOM 0 HA ASN A 60 5.009 -4.388 9.253 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.167 -4.868 6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.321 -6.184 6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.799 -7.059 8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.385 -6.151 6.701 1.00 0.00 H new ATOM 880 N HIS A 61 6.583 -6.097 9.841 1.00 0.00 N ATOM 881 CA HIS A 61 7.568 -6.941 10.451 1.00 0.00 C ATOM 882 C HIS A 61 7.505 -8.311 9.787 1.00 0.00 C ATOM 883 O HIS A 61 8.519 -8.868 9.365 1.00 0.00 O ATOM 884 CB HIS A 61 7.263 -7.101 11.959 1.00 0.00 C ATOM 885 CG HIS A 61 6.991 -5.816 12.689 1.00 0.00 C ATOM 886 ND1 HIS A 61 7.899 -5.167 13.476 1.00 0.00 N ATOM 887 CD2 HIS A 61 5.859 -5.068 12.733 1.00 0.00 C ATOM 888 CE1 HIS A 61 7.316 -4.071 13.962 1.00 0.00 C ATOM 889 NE2 HIS A 61 6.071 -3.964 13.540 1.00 0.00 N ATOM 0 H HIS A 61 5.698 -6.079 10.349 1.00 0.00 H new ATOM 0 HA HIS A 61 8.557 -6.499 10.330 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.399 -7.756 12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.107 -7.601 12.435 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.938 -5.298 12.219 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.801 -3.362 14.617 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.405 -3.224 13.762 1.00 0.00 H new ATOM 897 N ASP A 62 6.304 -8.844 9.683 1.00 0.00 N ATOM 898 CA ASP A 62 6.110 -10.175 9.140 1.00 0.00 C ATOM 899 C ASP A 62 5.690 -10.086 7.693 1.00 0.00 C ATOM 900 O ASP A 62 4.748 -9.369 7.346 1.00 0.00 O ATOM 901 CB ASP A 62 5.049 -10.939 9.942 1.00 0.00 C ATOM 902 CG ASP A 62 5.032 -12.436 9.655 1.00 0.00 C ATOM 903 OD1 ASP A 62 5.406 -12.863 8.550 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.685 -13.214 10.564 1.00 0.00 O ATOM 0 H ASP A 62 5.445 -8.374 9.968 1.00 0.00 H new ATOM 0 HA ASP A 62 7.054 -10.715 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.227 -10.783 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.067 -10.523 9.719 1.00 0.00 H new ATOM 909 N ILE A 63 6.377 -10.815 6.857 1.00 0.00 N ATOM 910 CA ILE A 63 6.073 -10.876 5.449 1.00 0.00 C ATOM 911 C ILE A 63 4.737 -11.566 5.204 1.00 0.00 C ATOM 912 O ILE A 63 3.973 -11.151 4.333 1.00 0.00 O ATOM 913 CB ILE A 63 7.209 -11.569 4.648 1.00 0.00 C ATOM 914 CG1 ILE A 63 6.823 -11.696 3.172 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.539 -12.938 5.246 1.00 0.00 C ATOM 916 CD1 ILE A 63 7.976 -11.970 2.265 1.00 0.00 C ATOM 0 H ILE A 63 7.172 -11.390 7.134 1.00 0.00 H new ATOM 0 HA ILE A 63 5.995 -9.850 5.090 1.00 0.00 H new ATOM 0 HB ILE A 63 8.103 -10.950 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.092 -12.497 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.335 -10.775 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.337 -13.404 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.863 -12.815 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.652 -13.571 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.620 -12.046 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.699 -11.157 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.452 -12.907 2.555 1.00 0.00 H new ATOM 928 N ALA A 64 4.402 -12.528 6.045 1.00 0.00 N ATOM 929 CA ALA A 64 3.193 -13.316 5.858 1.00 0.00 C ATOM 930 C ALA A 64 1.964 -12.474 6.131 1.00 0.00 C ATOM 931 O ALA A 64 0.870 -12.767 5.648 1.00 0.00 O ATOM 932 CB ALA A 64 3.209 -14.547 6.745 1.00 0.00 C ATOM 0 H ALA A 64 4.950 -12.784 6.866 1.00 0.00 H new ATOM 0 HA ALA A 64 3.158 -13.648 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.295 -15.120 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.072 -15.164 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.271 -14.242 7.790 1.00 0.00 H new ATOM 938 N ASP A 65 2.168 -11.382 6.838 1.00 0.00 N ATOM 939 CA ASP A 65 1.072 -10.498 7.190 1.00 0.00 C ATOM 940 C ASP A 65 0.792 -9.562 6.031 1.00 0.00 C ATOM 941 O ASP A 65 -0.345 -9.102 5.829 1.00 0.00 O ATOM 942 CB ASP A 65 1.374 -9.718 8.470 1.00 0.00 C ATOM 943 CG ASP A 65 0.224 -8.802 8.881 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.869 -9.299 9.192 1.00 0.00 O ATOM 945 OD2 ASP A 65 0.390 -7.564 8.864 1.00 0.00 O ATOM 0 H ASP A 65 3.081 -11.084 7.181 1.00 0.00 H new ATOM 0 HA ASP A 65 0.183 -11.098 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.583 -10.419 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.275 -9.122 8.325 1.00 0.00 H new ATOM 950 N VAL A 66 1.833 -9.309 5.239 1.00 0.00 N ATOM 951 CA VAL A 66 1.710 -8.513 4.030 1.00 0.00 C ATOM 952 C VAL A 66 1.054 -9.375 2.973 1.00 0.00 C ATOM 953 O VAL A 66 0.125 -8.935 2.286 1.00 0.00 O ATOM 954 CB VAL A 66 3.088 -8.029 3.486 1.00 0.00 C ATOM 955 CG1 VAL A 66 2.912 -7.123 2.268 1.00 0.00 C ATOM 956 CG2 VAL A 66 3.878 -7.317 4.558 1.00 0.00 C ATOM 0 H VAL A 66 2.777 -9.650 5.420 1.00 0.00 H new ATOM 0 HA VAL A 66 1.122 -7.626 4.266 1.00 0.00 H new ATOM 0 HB VAL A 66 3.647 -8.913 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.890 -6.801 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.399 -7.671 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.322 -6.250 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.834 -6.991 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.318 -6.450 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.053 -7.996 5.393 1.00 0.00 H new ATOM 966 N VAL A 67 1.513 -10.634 2.892 1.00 0.00 N ATOM 967 CA VAL A 67 0.981 -11.604 1.928 1.00 0.00 C ATOM 968 C VAL A 67 -0.501 -11.795 2.173 1.00 0.00 C ATOM 969 O VAL A 67 -1.290 -11.848 1.238 1.00 0.00 O ATOM 970 CB VAL A 67 1.684 -12.986 2.022 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.143 -13.942 0.968 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.179 -12.847 1.869 1.00 0.00 C ATOM 0 H VAL A 67 2.255 -11.003 3.487 1.00 0.00 H new ATOM 0 HA VAL A 67 1.166 -11.202 0.932 1.00 0.00 H new ATOM 0 HB VAL A 67 1.473 -13.395 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.650 -14.903 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.073 -14.082 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.318 -13.526 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.645 -13.830 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.406 -12.406 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.567 -12.204 2.659 1.00 0.00 H new ATOM 982 N ASP A 68 -0.860 -11.862 3.450 1.00 0.00 N ATOM 983 CA ASP A 68 -2.247 -11.969 3.888 1.00 0.00 C ATOM 984 C ASP A 68 -3.101 -10.899 3.227 1.00 0.00 C ATOM 985 O ASP A 68 -4.017 -11.211 2.496 1.00 0.00 O ATOM 986 CB ASP A 68 -2.322 -11.851 5.419 1.00 0.00 C ATOM 987 CG ASP A 68 -3.734 -11.739 5.964 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.485 -12.734 5.942 1.00 0.00 O ATOM 989 OD2 ASP A 68 -4.102 -10.649 6.449 1.00 0.00 O ATOM 0 H ASP A 68 -0.189 -11.843 4.218 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.635 -12.943 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.841 -12.722 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.752 -10.977 5.734 1.00 0.00 H new ATOM 994 N LYS A 69 -2.713 -9.652 3.394 1.00 0.00 N ATOM 995 CA LYS A 69 -3.482 -8.512 2.869 1.00 0.00 C ATOM 996 C LYS A 69 -3.483 -8.523 1.340 1.00 0.00 C ATOM 997 O LYS A 69 -4.539 -8.339 0.707 1.00 0.00 O ATOM 998 CB LYS A 69 -2.876 -7.191 3.362 1.00 0.00 C ATOM 999 CG LYS A 69 -2.606 -7.127 4.860 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.863 -7.258 5.697 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.510 -7.390 7.174 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.732 -8.620 7.431 1.00 0.00 N ATOM 0 H LYS A 69 -1.863 -9.387 3.892 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.507 -8.600 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.940 -7.018 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.550 -6.377 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.911 -7.921 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.117 -6.182 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.500 -6.387 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.433 -8.129 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.935 -6.520 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.423 -7.404 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.506 -8.683 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.292 -9.450 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.850 -8.594 6.881 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.299 -8.767 0.765 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.100 -8.819 -0.684 1.00 0.00 C ATOM 1018 C ALA A 70 -3.013 -9.850 -1.323 1.00 0.00 C ATOM 1019 O ALA A 70 -3.491 -9.668 -2.434 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.648 -9.159 -0.991 1.00 0.00 C ATOM 0 H ALA A 70 -1.446 -8.935 1.299 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.344 -7.841 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.504 -9.197 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.002 -8.395 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.402 -10.129 -0.558 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.231 -10.921 -0.607 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.070 -12.011 -1.033 1.00 0.00 C ATOM 1028 C LYS A 71 -5.553 -11.758 -0.740 1.00 0.00 C ATOM 1029 O LYS A 71 -6.375 -11.791 -1.650 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.603 -13.282 -0.351 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.494 -14.474 -0.570 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.895 -15.723 0.047 1.00 0.00 C ATOM 1033 CE LYS A 71 -3.716 -15.632 1.567 1.00 0.00 C ATOM 1034 NZ LYS A 71 -4.997 -15.595 2.297 1.00 0.00 N ATOM 0 H LYS A 71 -2.818 -11.064 0.315 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.981 -12.108 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.602 -13.523 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.524 -13.096 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.475 -14.284 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.644 -14.628 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.534 -16.575 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.926 -15.917 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.133 -16.487 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.142 -14.737 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.813 -15.534 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.546 -14.765 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.537 -16.460 2.094 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.876 -11.544 0.535 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.270 -11.333 1.002 1.00 0.00 C ATOM 1050 C VAL A 72 -8.014 -10.290 0.181 1.00 0.00 C ATOM 1051 O VAL A 72 -9.041 -10.590 -0.412 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.365 -10.941 2.512 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.814 -10.725 2.935 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.739 -11.994 3.389 1.00 0.00 C ATOM 0 H VAL A 72 -5.185 -11.510 1.285 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.746 -12.304 0.865 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.817 -10.007 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.848 -10.454 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.251 -9.923 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.380 -11.643 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.820 -11.693 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.255 -12.943 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.688 -12.109 3.126 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.501 -9.077 0.125 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.224 -8.042 -0.609 1.00 0.00 C ATOM 1066 C LEU A 73 -7.859 -8.077 -2.067 1.00 0.00 C ATOM 1067 O LEU A 73 -8.602 -7.564 -2.904 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.962 -6.615 -0.077 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.251 -6.336 1.397 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.610 -6.904 1.827 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.108 -6.815 2.277 1.00 0.00 C ATOM 0 H LEU A 73 -6.624 -8.785 0.557 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.281 -8.265 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.915 -6.376 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.558 -5.922 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.320 -5.256 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.779 -6.685 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.400 -6.448 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.618 -7.983 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.340 -6.604 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.972 -7.888 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.191 -6.296 1.997 1.00 0.00 H new ATOM 1083 N SER A 74 -6.748 -8.754 -2.355 1.00 0.00 N ATOM 1084 CA SER A 74 -6.121 -8.750 -3.653 1.00 0.00 C ATOM 1085 C SER A 74 -5.676 -7.321 -3.990 1.00 0.00 C ATOM 1086 O SER A 74 -6.433 -6.503 -4.512 1.00 0.00 O ATOM 1087 CB SER A 74 -7.013 -9.376 -4.746 1.00 0.00 C ATOM 1088 OG SER A 74 -6.330 -9.474 -5.989 1.00 0.00 O ATOM 0 H SER A 74 -6.257 -9.329 -1.670 1.00 0.00 H new ATOM 0 HA SER A 74 -5.238 -9.389 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.336 -10.368 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.912 -8.773 -4.871 1.00 0.00 H new ATOM 0 HG SER A 74 -6.923 -9.876 -6.657 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.473 -7.007 -3.583 1.00 0.00 N ATOM 1095 CA LEU A 75 -3.910 -5.702 -3.791 1.00 0.00 C ATOM 1096 C LEU A 75 -3.290 -5.592 -5.176 1.00 0.00 C ATOM 1097 O LEU A 75 -3.231 -6.572 -5.934 1.00 0.00 O ATOM 1098 CB LEU A 75 -2.847 -5.423 -2.730 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.298 -5.540 -1.277 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.136 -5.299 -0.347 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.429 -4.582 -0.982 1.00 0.00 C ATOM 0 H LEU A 75 -3.854 -7.655 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.711 -4.967 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.017 -6.112 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.461 -4.416 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.668 -6.552 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.473 -5.386 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.358 -6.038 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.736 -4.299 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.731 -4.686 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.097 -3.560 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.276 -4.808 -1.630 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.802 -4.415 -5.485 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.166 -4.161 -6.780 1.00 0.00 C ATOM 1115 C ALA A 76 -0.771 -3.851 -6.529 1.00 0.00 C ATOM 1116 O ALA A 76 0.099 -4.247 -7.254 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.777 -2.991 -7.516 1.00 0.00 C ATOM 0 H ALA A 76 -2.827 -3.607 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.300 -5.047 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.264 -2.852 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.834 -3.187 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.674 -2.088 -6.913 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.567 -3.096 -5.503 1.00 0.00 N ATOM 1124 CA ALA A 77 0.730 -2.756 -5.080 1.00 0.00 C ATOM 1125 C ALA A 77 0.759 -2.615 -3.595 1.00 0.00 C ATOM 1126 O ALA A 77 -0.292 -2.536 -2.946 1.00 0.00 O ATOM 1127 CB ALA A 77 1.171 -1.478 -5.722 1.00 0.00 C ATOM 0 H ALA A 77 -1.313 -2.697 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 77 1.414 -3.550 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.177 -1.229 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.171 -1.596 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.486 -0.676 -5.445 1.00 0.00 H new ATOM 1133 N VAL A 78 1.928 -2.610 -3.074 1.00 0.00 N ATOM 1134 CA VAL A 78 2.167 -2.395 -1.662 1.00 0.00 C ATOM 1135 C VAL A 78 3.433 -1.573 -1.515 1.00 0.00 C ATOM 1136 O VAL A 78 4.398 -1.761 -2.256 1.00 0.00 O ATOM 1137 CB VAL A 78 2.293 -3.725 -0.875 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.423 -4.567 -1.440 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.514 -3.469 0.616 1.00 0.00 C ATOM 0 H VAL A 78 2.780 -2.757 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 78 1.312 -1.867 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 78 1.356 -4.271 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.500 -5.498 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.221 -4.792 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.361 -4.017 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.598 -4.421 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.431 -2.896 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.671 -2.907 1.018 1.00 0.00 H new ATOM 1149 N GLN A 79 3.387 -0.601 -0.676 1.00 0.00 N ATOM 1150 CA GLN A 79 4.458 0.254 -0.457 1.00 0.00 C ATOM 1151 C GLN A 79 5.196 -0.161 0.738 1.00 0.00 C ATOM 1152 O GLN A 79 4.656 -0.186 1.848 1.00 0.00 O ATOM 1153 CB GLN A 79 3.984 1.675 -0.322 1.00 0.00 C ATOM 1154 CG GLN A 79 3.694 2.373 -1.627 1.00 0.00 C ATOM 1155 CD GLN A 79 2.534 1.776 -2.391 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.408 2.199 -2.241 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.799 0.749 -3.185 1.00 0.00 N ATOM 0 H GLN A 79 2.565 -0.386 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 79 5.127 0.202 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.080 1.685 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.740 2.245 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.484 3.424 -1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.586 2.339 -2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.758 0.419 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.044 0.289 -3.693 1.00 0.00 H new ATOM 1166 N LEU A 80 6.398 -0.509 0.519 1.00 0.00 N ATOM 1167 CA LEU A 80 7.243 -0.929 1.566 1.00 0.00 C ATOM 1168 C LEU A 80 8.113 0.214 1.964 1.00 0.00 C ATOM 1169 O LEU A 80 8.703 0.895 1.097 1.00 0.00 O ATOM 1170 CB LEU A 80 8.120 -2.084 1.105 1.00 0.00 C ATOM 1171 CG LEU A 80 7.398 -3.315 0.574 1.00 0.00 C ATOM 1172 CD1 LEU A 80 8.410 -4.316 0.073 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.515 -3.937 1.651 1.00 0.00 C ATOM 0 H LEU A 80 6.833 -0.512 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 80 6.636 -1.260 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.786 -1.716 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.748 -2.391 1.942 1.00 0.00 H new ATOM 0 HG LEU A 80 6.752 -3.015 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.893 -5.197 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.000 -3.868 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.070 -4.607 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.011 -4.814 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.131 -4.232 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.772 -3.209 1.977 1.00 0.00 H new ATOM 1185 N HIS A 81 8.164 0.484 3.231 1.00 0.00 N ATOM 1186 CA HIS A 81 9.116 1.431 3.716 1.00 0.00 C ATOM 1187 C HIS A 81 10.387 0.645 3.860 1.00 0.00 C ATOM 1188 O HIS A 81 10.530 -0.153 4.797 1.00 0.00 O ATOM 1189 CB HIS A 81 8.719 2.059 5.065 1.00 0.00 C ATOM 1190 CG HIS A 81 7.372 2.744 5.094 1.00 0.00 C ATOM 1191 ND1 HIS A 81 7.198 4.108 5.079 1.00 0.00 N ATOM 1192 CD2 HIS A 81 6.125 2.218 5.187 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.896 4.366 5.164 1.00 0.00 C ATOM 1194 NE2 HIS A 81 5.195 3.248 5.233 1.00 0.00 N ATOM 0 H HIS A 81 7.563 0.066 3.942 1.00 0.00 H new ATOM 0 HA HIS A 81 9.200 2.275 3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.726 1.278 5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.482 2.785 5.346 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.941 4.804 5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.892 1.164 5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.468 5.358 5.175 1.00 0.00 H new ATOM 1202 N GLY A 82 11.283 0.833 2.915 1.00 0.00 N ATOM 1203 CA GLY A 82 12.499 0.032 2.810 1.00 0.00 C ATOM 1204 C GLY A 82 13.418 0.135 4.004 1.00 0.00 C ATOM 1205 O GLY A 82 14.333 -0.667 4.168 1.00 0.00 O ATOM 0 H GLY A 82 11.195 1.547 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.221 -1.013 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.046 0.339 1.918 1.00 0.00 H new ATOM 1209 N ASN A 83 13.143 1.105 4.829 1.00 0.00 N ATOM 1210 CA ASN A 83 13.892 1.411 6.031 1.00 0.00 C ATOM 1211 C ASN A 83 13.914 0.221 6.992 1.00 0.00 C ATOM 1212 O ASN A 83 14.835 0.092 7.788 1.00 0.00 O ATOM 1213 CB ASN A 83 13.265 2.618 6.748 1.00 0.00 C ATOM 1214 CG ASN A 83 12.995 3.797 5.827 1.00 0.00 C ATOM 1215 OD1 ASN A 83 13.668 3.991 4.817 1.00 0.00 O ATOM 1216 ND2 ASN A 83 12.032 4.603 6.177 1.00 0.00 N ATOM 0 H ASN A 83 12.356 1.737 4.682 1.00 0.00 H new ATOM 0 HA ASN A 83 14.915 1.640 5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.329 2.308 7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.929 2.939 7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.819 5.422 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.491 4.415 7.021 1.00 0.00 H new ATOM 1223 N GLU A 84 12.893 -0.648 6.902 1.00 0.00 N ATOM 1224 CA GLU A 84 12.758 -1.775 7.814 1.00 0.00 C ATOM 1225 C GLU A 84 13.981 -2.727 7.741 1.00 0.00 C ATOM 1226 O GLU A 84 14.584 -3.057 8.777 1.00 0.00 O ATOM 1227 CB GLU A 84 11.455 -2.539 7.517 1.00 0.00 C ATOM 1228 CG GLU A 84 11.118 -3.630 8.530 1.00 0.00 C ATOM 1229 CD GLU A 84 10.768 -3.082 9.907 1.00 0.00 C ATOM 1230 OE1 GLU A 84 11.593 -2.340 10.512 1.00 0.00 O ATOM 1231 OE2 GLU A 84 9.705 -3.422 10.438 1.00 0.00 O ATOM 0 H GLU A 84 12.153 -0.583 6.203 1.00 0.00 H new ATOM 0 HA GLU A 84 12.718 -1.381 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.631 -1.827 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.530 -2.990 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.280 -4.218 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.967 -4.308 8.621 1.00 0.00 H new ATOM 1238 N GLU A 85 14.373 -3.101 6.531 1.00 0.00 N ATOM 1239 CA GLU A 85 15.524 -3.962 6.295 1.00 0.00 C ATOM 1240 C GLU A 85 15.685 -4.090 4.781 1.00 0.00 C ATOM 1241 O GLU A 85 14.693 -4.061 4.073 1.00 0.00 O ATOM 1242 CB GLU A 85 15.288 -5.330 6.941 1.00 0.00 C ATOM 1243 CG GLU A 85 16.554 -6.040 7.378 1.00 0.00 C ATOM 1244 CD GLU A 85 17.398 -6.543 6.255 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.072 -7.577 5.694 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.407 -5.893 5.909 1.00 0.00 O ATOM 0 H GLU A 85 13.896 -2.812 5.677 1.00 0.00 H new ATOM 0 HA GLU A 85 16.430 -3.545 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.639 -5.203 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.754 -5.965 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.148 -5.357 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.283 -6.880 8.017 1.00 0.00 H new ATOM 1253 N GLN A 86 16.907 -4.294 4.306 1.00 0.00 N ATOM 1254 CA GLN A 86 17.238 -4.265 2.903 1.00 0.00 C ATOM 1255 C GLN A 86 16.788 -5.527 2.194 1.00 0.00 C ATOM 1256 O GLN A 86 16.215 -5.494 1.093 1.00 0.00 O ATOM 1257 CB GLN A 86 18.752 -4.148 2.767 1.00 0.00 C ATOM 1258 CG GLN A 86 19.358 -2.844 3.268 1.00 0.00 C ATOM 1259 CD GLN A 86 20.870 -2.828 3.147 1.00 0.00 C ATOM 1260 OE1 GLN A 86 21.434 -2.413 2.133 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.536 -3.279 4.169 1.00 0.00 N ATOM 0 H GLN A 86 17.708 -4.488 4.907 1.00 0.00 H new ATOM 0 HA GLN A 86 16.728 -3.416 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.213 -4.974 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.015 -4.270 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.942 -2.011 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 86 19.077 -2.692 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.039 -3.615 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.556 -3.296 4.146 1.00 0.00 H new ATOM 1270 N LEU A 87 17.029 -6.621 2.839 1.00 0.00 N ATOM 1271 CA LEU A 87 16.787 -7.932 2.284 1.00 0.00 C ATOM 1272 C LEU A 87 15.345 -8.309 2.444 1.00 0.00 C ATOM 1273 O LEU A 87 14.826 -9.164 1.723 1.00 0.00 O ATOM 1274 CB LEU A 87 17.658 -8.930 2.988 1.00 0.00 C ATOM 1275 CG LEU A 87 19.130 -8.588 2.961 1.00 0.00 C ATOM 1276 CD1 LEU A 87 19.887 -9.406 3.977 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.705 -8.787 1.573 1.00 0.00 C ATOM 0 H LEU A 87 17.407 -6.640 3.786 1.00 0.00 H new ATOM 0 HA LEU A 87 17.024 -7.922 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.334 -9.012 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.514 -9.909 2.531 1.00 0.00 H new ATOM 0 HG LEU A 87 19.238 -7.536 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.944 -9.144 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.496 -9.200 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.768 -10.466 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.765 -8.535 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.581 -9.828 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.182 -8.142 0.867 1.00 0.00 H new ATOM 1289 N TYR A 88 14.697 -7.662 3.390 1.00 0.00 N ATOM 1290 CA TYR A 88 13.288 -7.853 3.636 1.00 0.00 C ATOM 1291 C TYR A 88 12.497 -7.559 2.368 1.00 0.00 C ATOM 1292 O TYR A 88 11.704 -8.380 1.930 1.00 0.00 O ATOM 1293 CB TYR A 88 12.819 -6.984 4.822 1.00 0.00 C ATOM 1294 CG TYR A 88 11.331 -7.025 5.086 1.00 0.00 C ATOM 1295 CD1 TYR A 88 10.658 -8.234 5.230 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.599 -5.851 5.178 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.303 -8.272 5.453 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.244 -5.877 5.406 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.595 -7.093 5.544 1.00 0.00 C ATOM 1300 OH TYR A 88 7.235 -7.133 5.756 1.00 0.00 O ATOM 0 H TYR A 88 15.138 -6.985 4.012 1.00 0.00 H new ATOM 0 HA TYR A 88 13.109 -8.893 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.343 -7.308 5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.113 -5.951 4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.211 -9.160 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.102 -4.901 5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.796 -9.220 5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.688 -4.954 5.477 1.00 0.00 H new ATOM 0 HH TYR A 88 7.008 -7.935 6.271 1.00 0.00 H new ATOM 1310 N ILE A 89 12.812 -6.444 1.723 1.00 0.00 N ATOM 1311 CA ILE A 89 12.129 -6.015 0.493 1.00 0.00 C ATOM 1312 C ILE A 89 12.325 -7.060 -0.587 1.00 0.00 C ATOM 1313 O ILE A 89 11.395 -7.405 -1.326 1.00 0.00 O ATOM 1314 CB ILE A 89 12.708 -4.672 -0.020 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.489 -3.559 0.981 1.00 0.00 C ATOM 1316 CG2 ILE A 89 12.137 -4.277 -1.383 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.769 -2.960 1.439 1.00 0.00 C ATOM 0 H ILE A 89 13.546 -5.807 2.031 1.00 0.00 H new ATOM 0 HA ILE A 89 11.070 -5.890 0.720 1.00 0.00 H new ATOM 0 HB ILE A 89 13.780 -4.825 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.867 -2.785 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.943 -3.947 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.573 -3.330 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.375 -5.049 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.055 -4.171 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.563 -2.166 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 89 14.381 -3.727 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.304 -2.547 0.584 1.00 0.00 H new ATOM 1329 N ASP A 90 13.521 -7.606 -0.609 1.00 0.00 N ATOM 1330 CA ASP A 90 13.933 -8.589 -1.596 1.00 0.00 C ATOM 1331 C ASP A 90 13.156 -9.891 -1.418 1.00 0.00 C ATOM 1332 O ASP A 90 13.000 -10.675 -2.338 1.00 0.00 O ATOM 1333 CB ASP A 90 15.426 -8.829 -1.449 1.00 0.00 C ATOM 1334 CG ASP A 90 16.022 -9.629 -2.586 1.00 0.00 C ATOM 1335 OD1 ASP A 90 16.358 -9.033 -3.648 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.200 -10.842 -2.446 1.00 0.00 O ATOM 0 H ASP A 90 14.249 -7.378 0.068 1.00 0.00 H new ATOM 0 HA ASP A 90 13.720 -8.214 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.936 -7.868 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.612 -9.352 -0.511 1.00 0.00 H new ATOM 1341 N THR A 91 12.610 -10.033 -0.250 1.00 0.00 N ATOM 1342 CA THR A 91 11.894 -11.187 0.166 1.00 0.00 C ATOM 1343 C THR A 91 10.412 -11.044 -0.200 1.00 0.00 C ATOM 1344 O THR A 91 9.799 -11.982 -0.715 1.00 0.00 O ATOM 1345 CB THR A 91 12.083 -11.371 1.682 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.486 -11.497 1.978 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.352 -12.578 2.170 1.00 0.00 C ATOM 0 H THR A 91 12.657 -9.311 0.469 1.00 0.00 H new ATOM 0 HA THR A 91 12.276 -12.071 -0.344 1.00 0.00 H new ATOM 0 HB THR A 91 11.675 -10.498 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 91 13.926 -10.630 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.502 -12.685 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.288 -12.468 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.732 -13.464 1.661 1.00 0.00 H new ATOM 1355 N LEU A 92 9.839 -9.861 0.087 1.00 0.00 N ATOM 1356 CA LEU A 92 8.443 -9.540 -0.276 1.00 0.00 C ATOM 1357 C LEU A 92 8.073 -9.974 -1.670 1.00 0.00 C ATOM 1358 O LEU A 92 7.089 -10.676 -1.844 1.00 0.00 O ATOM 1359 CB LEU A 92 8.083 -8.045 -0.138 1.00 0.00 C ATOM 1360 CG LEU A 92 7.728 -7.507 1.246 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.625 -8.297 1.855 1.00 0.00 C ATOM 1362 CD2 LEU A 92 8.896 -7.503 2.141 1.00 0.00 C ATOM 0 H LEU A 92 10.323 -9.106 0.572 1.00 0.00 H new ATOM 0 HA LEU A 92 7.868 -10.111 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.926 -7.465 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.239 -7.845 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 92 7.395 -6.477 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.390 -7.895 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.742 -8.239 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.934 -9.338 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.605 -7.114 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.272 -8.520 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.677 -6.872 1.717 1.00 0.00 H new ATOM 1374 N ARG A 93 8.887 -9.625 -2.659 1.00 0.00 N ATOM 1375 CA ARG A 93 8.507 -9.960 -4.057 1.00 0.00 C ATOM 1376 C ARG A 93 8.497 -11.438 -4.362 1.00 0.00 C ATOM 1377 O ARG A 93 7.966 -11.869 -5.373 1.00 0.00 O ATOM 1378 CB ARG A 93 9.273 -9.229 -5.145 1.00 0.00 C ATOM 1379 CG ARG A 93 10.790 -9.272 -5.113 1.00 0.00 C ATOM 1380 CD ARG A 93 11.353 -8.103 -4.350 1.00 0.00 C ATOM 1381 NE ARG A 93 12.817 -8.036 -4.444 1.00 0.00 N ATOM 1382 CZ ARG A 93 13.534 -6.900 -4.511 1.00 0.00 C ATOM 1383 NH1 ARG A 93 12.918 -5.722 -4.608 1.00 0.00 N ATOM 1384 NH2 ARG A 93 14.859 -6.949 -4.483 1.00 0.00 N ATOM 0 H ARG A 93 9.774 -9.134 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 93 7.482 -9.589 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.950 -9.630 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.970 -8.182 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.120 -10.203 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.178 -9.265 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.923 -7.178 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.060 -8.179 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 93 13.329 -8.918 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.899 -5.680 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.465 -4.863 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.335 -7.848 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.402 -6.087 -4.534 1.00 0.00 H new ATOM 1398 N GLU A 94 9.075 -12.193 -3.503 1.00 0.00 N ATOM 1399 CA GLU A 94 9.115 -13.636 -3.674 1.00 0.00 C ATOM 1400 C GLU A 94 7.814 -14.239 -3.179 1.00 0.00 C ATOM 1401 O GLU A 94 7.328 -15.238 -3.719 1.00 0.00 O ATOM 1402 CB GLU A 94 10.255 -14.261 -2.889 1.00 0.00 C ATOM 1403 CG GLU A 94 11.595 -13.608 -3.084 1.00 0.00 C ATOM 1404 CD GLU A 94 12.689 -14.364 -2.384 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.601 -14.581 -1.149 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.667 -14.770 -3.055 1.00 0.00 O ATOM 0 H GLU A 94 9.537 -11.852 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 94 9.263 -13.839 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.005 -14.232 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.336 -15.311 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.819 -13.547 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.560 -12.586 -2.707 1.00 0.00 H new ATOM 1413 N ALA A 95 7.269 -13.652 -2.131 1.00 0.00 N ATOM 1414 CA ALA A 95 6.040 -14.151 -1.538 1.00 0.00 C ATOM 1415 C ALA A 95 4.832 -13.596 -2.234 1.00 0.00 C ATOM 1416 O ALA A 95 3.839 -14.283 -2.463 1.00 0.00 O ATOM 1417 CB ALA A 95 6.002 -13.875 -0.055 1.00 0.00 C ATOM 0 H ALA A 95 7.657 -12.828 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 95 6.021 -15.233 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.071 -14.259 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.847 -14.366 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.060 -12.800 0.117 1.00 0.00 H new ATOM 1423 N LEU A 96 4.959 -12.388 -2.607 1.00 0.00 N ATOM 1424 CA LEU A 96 3.915 -11.655 -3.295 1.00 0.00 C ATOM 1425 C LEU A 96 3.929 -11.965 -4.783 1.00 0.00 C ATOM 1426 O LEU A 96 4.929 -11.710 -5.463 1.00 0.00 O ATOM 1427 CB LEU A 96 4.041 -10.135 -3.056 1.00 0.00 C ATOM 1428 CG LEU A 96 3.506 -9.580 -1.713 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.242 -10.141 -0.511 1.00 0.00 C ATOM 1430 CD2 LEU A 96 3.579 -8.073 -1.709 1.00 0.00 C ATOM 0 H LEU A 96 5.806 -11.842 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 96 2.959 -11.979 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.095 -9.867 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.520 -9.622 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 96 2.467 -9.900 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.824 -9.717 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.132 -11.225 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.299 -9.885 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.200 -7.693 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.615 -7.759 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.975 -7.677 -2.525 1.00 0.00 H new ATOM 1442 N PRO A 97 2.824 -12.546 -5.311 1.00 0.00 N ATOM 1443 CA PRO A 97 2.704 -12.887 -6.734 1.00 0.00 C ATOM 1444 C PRO A 97 2.718 -11.638 -7.598 1.00 0.00 C ATOM 1445 O PRO A 97 2.475 -10.553 -7.108 1.00 0.00 O ATOM 1446 CB PRO A 97 1.335 -13.569 -6.833 1.00 0.00 C ATOM 1447 CG PRO A 97 0.581 -13.071 -5.665 1.00 0.00 C ATOM 1448 CD PRO A 97 1.592 -12.904 -4.569 1.00 0.00 C ATOM 0 HA PRO A 97 3.527 -13.513 -7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.833 -13.314 -7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.431 -14.654 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.089 -12.125 -5.891 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.199 -13.774 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.302 -12.123 -3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.719 -13.820 -3.993 1.00 0.00 H new ATOM 1456 N ALA A 98 2.910 -11.808 -8.885 1.00 0.00 N ATOM 1457 CA ALA A 98 3.040 -10.688 -9.838 1.00 0.00 C ATOM 1458 C ALA A 98 1.723 -9.915 -10.042 1.00 0.00 C ATOM 1459 O ALA A 98 1.646 -9.001 -10.860 1.00 0.00 O ATOM 1460 CB ALA A 98 3.575 -11.194 -11.171 1.00 0.00 C ATOM 0 H ALA A 98 2.983 -12.727 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 98 3.749 -9.982 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.667 -10.360 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.553 -11.651 -11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.888 -11.934 -11.581 1.00 0.00 H new ATOM 1466 N HIS A 99 0.706 -10.287 -9.299 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.585 -9.627 -9.361 1.00 0.00 C ATOM 1468 C HIS A 99 -0.549 -8.410 -8.441 1.00 0.00 C ATOM 1469 O HIS A 99 -1.228 -7.403 -8.674 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.702 -10.600 -8.933 1.00 0.00 C ATOM 1471 CG HIS A 99 -1.722 -11.877 -9.703 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -1.931 -13.120 -9.148 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -1.534 -12.079 -11.005 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -1.851 -14.025 -10.126 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -1.612 -13.440 -11.287 1.00 0.00 N ATOM 0 H HIS A 99 0.747 -11.057 -8.632 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.794 -9.308 -10.382 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.585 -10.828 -7.874 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.666 -10.104 -9.047 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.349 -11.303 -11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.966 -15.090 -9.988 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.507 -13.890 -12.196 1.00 0.00 H new ATOM 1483 N VAL A 100 0.256 -8.517 -7.398 1.00 0.00 N ATOM 1484 CA VAL A 100 0.500 -7.488 -6.492 1.00 0.00 C ATOM 1485 C VAL A 100 1.966 -7.036 -6.665 1.00 0.00 C ATOM 1486 O VAL A 100 2.876 -7.856 -6.771 1.00 0.00 O ATOM 1487 CB VAL A 100 0.182 -7.947 -5.044 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.833 -9.270 -4.731 1.00 0.00 C ATOM 1489 CG2 VAL A 100 0.653 -6.932 -4.088 1.00 0.00 C ATOM 0 H VAL A 100 0.763 -9.374 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.153 -6.637 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.898 -8.069 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.590 -9.562 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.466 -10.029 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.914 -9.177 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.428 -7.257 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.730 -6.801 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.150 -5.985 -4.286 1.00 0.00 H new ATOM 1499 N ALA A 101 2.169 -5.771 -6.734 1.00 0.00 N ATOM 1500 CA ALA A 101 3.463 -5.221 -6.970 1.00 0.00 C ATOM 1501 C ALA A 101 3.935 -4.492 -5.742 1.00 0.00 C ATOM 1502 O ALA A 101 3.224 -4.416 -4.749 1.00 0.00 O ATOM 1503 CB ALA A 101 3.414 -4.286 -8.165 1.00 0.00 C ATOM 0 H ALA A 101 1.432 -5.074 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 101 4.167 -6.024 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.405 -3.868 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.091 -4.839 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.710 -3.478 -7.966 1.00 0.00 H new ATOM 1509 N ILE A 102 5.092 -3.939 -5.816 1.00 0.00 N ATOM 1510 CA ILE A 102 5.688 -3.247 -4.728 1.00 0.00 C ATOM 1511 C ILE A 102 6.089 -1.871 -5.182 1.00 0.00 C ATOM 1512 O ILE A 102 6.668 -1.724 -6.245 1.00 0.00 O ATOM 1513 CB ILE A 102 6.973 -3.966 -4.247 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.676 -5.329 -3.592 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.766 -3.052 -3.334 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.924 -6.129 -3.254 1.00 0.00 C ATOM 0 H ILE A 102 5.667 -3.955 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 102 4.962 -3.208 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 102 7.583 -4.189 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.101 -5.167 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.049 -5.916 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.668 -3.565 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.042 -2.147 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.159 -2.786 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.637 -7.076 -2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.489 -6.323 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.542 -5.562 -2.558 1.00 0.00 H new ATOM 1528 N TRP A 103 5.797 -0.874 -4.403 1.00 0.00 N ATOM 1529 CA TRP A 103 6.303 0.439 -4.704 1.00 0.00 C ATOM 1530 C TRP A 103 7.137 0.854 -3.537 1.00 0.00 C ATOM 1531 O TRP A 103 6.852 0.460 -2.399 1.00 0.00 O ATOM 1532 CB TRP A 103 5.215 1.487 -4.991 1.00 0.00 C ATOM 1533 CG TRP A 103 4.257 1.126 -6.089 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.451 0.248 -7.096 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.953 1.660 -6.280 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.350 0.182 -7.883 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.411 1.043 -7.406 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.196 2.590 -5.596 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.136 1.327 -7.862 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.935 2.881 -6.042 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.414 2.248 -7.163 1.00 0.00 C ATOM 0 H TRP A 103 5.220 -0.937 -3.565 1.00 0.00 H new ATOM 0 HA TRP A 103 6.878 0.385 -5.628 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.647 1.658 -4.076 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.699 2.430 -5.247 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.356 -0.321 -7.252 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.243 -0.417 -8.702 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.594 3.082 -4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.730 0.839 -8.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.338 3.611 -5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.587 2.491 -7.489 1.00 0.00 H new ATOM 1552 N LYS A 104 8.154 1.597 -3.781 1.00 0.00 N ATOM 1553 CA LYS A 104 9.028 1.971 -2.732 1.00 0.00 C ATOM 1554 C LYS A 104 8.688 3.377 -2.324 1.00 0.00 C ATOM 1555 O LYS A 104 8.732 4.306 -3.148 1.00 0.00 O ATOM 1556 CB LYS A 104 10.493 1.849 -3.180 1.00 0.00 C ATOM 1557 CG LYS A 104 11.464 1.363 -2.088 1.00 0.00 C ATOM 1558 CD LYS A 104 11.653 2.349 -0.937 1.00 0.00 C ATOM 1559 CE LYS A 104 12.450 3.571 -1.366 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.673 4.494 -0.247 1.00 0.00 N ATOM 0 H LYS A 104 8.402 1.959 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 104 8.905 1.306 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.544 1.161 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.830 2.821 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.098 0.418 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.434 1.162 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.678 2.663 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.165 1.852 -0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.410 3.255 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.920 4.089 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.145 5.353 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.760 4.749 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.273 4.035 0.468 1.00 0.00 H new ATOM 1574 N ALA A 105 8.284 3.511 -1.089 1.00 0.00 N ATOM 1575 CA ALA A 105 7.953 4.792 -0.516 1.00 0.00 C ATOM 1576 C ALA A 105 9.218 5.618 -0.374 1.00 0.00 C ATOM 1577 O ALA A 105 10.095 5.313 0.448 1.00 0.00 O ATOM 1578 CB ALA A 105 7.264 4.612 0.832 1.00 0.00 C ATOM 0 H ALA A 105 8.174 2.728 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 105 7.260 5.316 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.021 5.589 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.348 4.037 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.930 4.081 1.513 1.00 0.00 H new ATOM 1584 N LEU A 106 9.352 6.583 -1.219 1.00 0.00 N ATOM 1585 CA LEU A 106 10.474 7.449 -1.229 1.00 0.00 C ATOM 1586 C LEU A 106 10.164 8.639 -0.351 1.00 0.00 C ATOM 1587 O LEU A 106 9.308 9.474 -0.681 1.00 0.00 O ATOM 1588 CB LEU A 106 10.781 7.876 -2.675 1.00 0.00 C ATOM 1589 CG LEU A 106 12.017 8.758 -2.911 1.00 0.00 C ATOM 1590 CD1 LEU A 106 13.281 8.041 -2.478 1.00 0.00 C ATOM 1591 CD2 LEU A 106 12.114 9.143 -4.379 1.00 0.00 C ATOM 0 H LEU A 106 8.663 6.794 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 106 11.358 6.945 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.894 6.973 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.911 8.408 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 106 11.911 9.662 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.143 8.684 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.218 7.802 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.392 7.121 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.994 9.768 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.197 8.242 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.221 9.696 -4.670 1.00 0.00 H new ATOM 1748 N PHE A 117 16.225 0.931 -2.954 1.00 0.00 N ATOM 1749 CA PHE A 117 15.709 -0.395 -3.115 1.00 0.00 C ATOM 1750 C PHE A 117 15.026 -0.467 -4.431 1.00 0.00 C ATOM 1751 O PHE A 117 14.102 0.312 -4.698 1.00 0.00 O ATOM 1752 CB PHE A 117 14.763 -0.775 -1.975 1.00 0.00 C ATOM 1753 CG PHE A 117 15.447 -0.725 -0.659 1.00 0.00 C ATOM 1754 CD1 PHE A 117 16.410 -1.657 -0.349 1.00 0.00 C ATOM 1755 CD2 PHE A 117 15.167 0.275 0.248 1.00 0.00 C ATOM 1756 CE1 PHE A 117 17.082 -1.598 0.837 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.833 0.334 1.448 1.00 0.00 C ATOM 1758 CZ PHE A 117 16.796 -0.603 1.743 1.00 0.00 C ATOM 0 HA PHE A 117 16.529 -1.113 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.909 -0.097 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.372 -1.778 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 117 16.637 -2.444 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.419 1.017 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.839 -2.333 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.601 1.114 2.158 1.00 0.00 H new ATOM 0 HZ PHE A 117 17.326 -0.558 2.683 1.00 0.00 H new ATOM 1768 N GLN A 118 15.498 -1.334 -5.259 1.00 0.00 N ATOM 1769 CA GLN A 118 14.988 -1.470 -6.589 1.00 0.00 C ATOM 1770 C GLN A 118 14.263 -2.795 -6.749 1.00 0.00 C ATOM 1771 O GLN A 118 14.022 -3.493 -5.746 1.00 0.00 O ATOM 1772 CB GLN A 118 16.108 -1.277 -7.612 1.00 0.00 C ATOM 1773 CG GLN A 118 17.253 -2.258 -7.499 1.00 0.00 C ATOM 1774 CD GLN A 118 18.386 -1.886 -8.412 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.292 -1.149 -8.019 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.344 -2.358 -9.626 1.00 0.00 N ATOM 0 H GLN A 118 16.257 -1.977 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 118 14.253 -0.687 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 118 15.682 -1.352 -8.613 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.504 -0.267 -7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.608 -2.287 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.901 -3.260 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.576 -2.965 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.080 -2.120 -10.291 1.00 0.00 H new ATOM 1785 N HIS A 119 13.904 -3.127 -7.999 1.00 0.00 N ATOM 1786 CA HIS A 119 13.066 -4.296 -8.347 1.00 0.00 C ATOM 1787 C HIS A 119 11.647 -4.059 -7.873 1.00 0.00 C ATOM 1788 O HIS A 119 10.829 -4.983 -7.740 1.00 0.00 O ATOM 1789 CB HIS A 119 13.627 -5.635 -7.829 1.00 0.00 C ATOM 1790 CG HIS A 119 14.887 -6.072 -8.504 1.00 0.00 C ATOM 1791 ND1 HIS A 119 16.119 -6.115 -7.897 1.00 0.00 N ATOM 1792 CD2 HIS A 119 15.077 -6.525 -9.757 1.00 0.00 C ATOM 1793 CE1 HIS A 119 16.999 -6.582 -8.777 1.00 0.00 C ATOM 1794 NE2 HIS A 119 16.417 -6.848 -9.930 1.00 0.00 N ATOM 0 H HIS A 119 14.191 -2.584 -8.814 1.00 0.00 H new ATOM 0 HA HIS A 119 13.074 -4.391 -9.433 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.812 -5.549 -6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.870 -6.409 -7.960 1.00 0.00 H new ATOM 0 HD2 HIS A 119 14.309 -6.622 -10.510 1.00 0.00 H new ATOM 0 HE1 HIS A 119 18.050 -6.725 -8.575 1.00 0.00 H new ATOM 0 HE2 HIS A 119 16.859 -7.215 -10.773 1.00 0.00 H new ATOM 1802 N VAL A 120 11.362 -2.797 -7.661 1.00 0.00 N ATOM 1803 CA VAL A 120 10.070 -2.338 -7.270 1.00 0.00 C ATOM 1804 C VAL A 120 9.365 -1.884 -8.511 1.00 0.00 C ATOM 1805 O VAL A 120 10.008 -1.547 -9.512 1.00 0.00 O ATOM 1806 CB VAL A 120 10.138 -1.187 -6.213 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.830 -1.671 -4.946 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.849 0.046 -6.763 1.00 0.00 C ATOM 0 H VAL A 120 12.047 -2.048 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 120 9.527 -3.150 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 120 9.114 -0.900 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.870 -0.859 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.273 -2.508 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.843 -1.993 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.875 0.822 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.868 -0.218 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.313 0.416 -7.637 1.00 0.00 H new ATOM 1818 N ASP A 121 8.088 -1.876 -8.470 1.00 0.00 N ATOM 1819 CA ASP A 121 7.306 -1.549 -9.650 1.00 0.00 C ATOM 1820 C ASP A 121 7.279 -0.057 -9.896 1.00 0.00 C ATOM 1821 O ASP A 121 7.443 0.397 -11.022 1.00 0.00 O ATOM 1822 CB ASP A 121 5.893 -2.131 -9.543 1.00 0.00 C ATOM 1823 CG ASP A 121 4.965 -1.701 -10.662 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.163 -2.114 -11.819 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.009 -0.942 -10.392 1.00 0.00 O ATOM 0 H ASP A 121 7.538 -2.090 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 121 7.789 -2.007 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.958 -3.219 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.459 -1.832 -8.589 1.00 0.00 H new ATOM 1830 N LYS A 122 7.146 0.707 -8.837 1.00 0.00 N ATOM 1831 CA LYS A 122 7.052 2.163 -8.947 1.00 0.00 C ATOM 1832 C LYS A 122 7.669 2.840 -7.737 1.00 0.00 C ATOM 1833 O LYS A 122 7.880 2.207 -6.688 1.00 0.00 O ATOM 1834 CB LYS A 122 5.569 2.633 -9.129 1.00 0.00 C ATOM 1835 CG LYS A 122 4.939 2.231 -10.446 1.00 0.00 C ATOM 1836 CD LYS A 122 3.519 2.735 -10.569 1.00 0.00 C ATOM 1837 CE LYS A 122 2.900 2.274 -11.872 1.00 0.00 C ATOM 1838 NZ LYS A 122 2.727 0.809 -11.932 1.00 0.00 N ATOM 0 H LYS A 122 7.099 0.353 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 122 7.611 2.455 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.970 2.225 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.532 3.719 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.536 2.624 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.948 1.145 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.925 2.373 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.508 3.824 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.931 2.756 -12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.528 2.596 -12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.294 0.424 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.041 0.385 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.724 0.584 -12.089 1.00 0.00 H new ATOM 1852 N TYR A 123 7.983 4.097 -7.891 1.00 0.00 N ATOM 1853 CA TYR A 123 8.465 4.917 -6.809 1.00 0.00 C ATOM 1854 C TYR A 123 7.430 5.937 -6.471 1.00 0.00 C ATOM 1855 O TYR A 123 6.957 6.662 -7.346 1.00 0.00 O ATOM 1856 CB TYR A 123 9.782 5.615 -7.141 1.00 0.00 C ATOM 1857 CG TYR A 123 11.002 4.768 -6.927 1.00 0.00 C ATOM 1858 CD1 TYR A 123 11.534 4.630 -5.656 1.00 0.00 C ATOM 1859 CD2 TYR A 123 11.628 4.120 -7.975 1.00 0.00 C ATOM 1860 CE1 TYR A 123 12.653 3.871 -5.432 1.00 0.00 C ATOM 1861 CE2 TYR A 123 12.758 3.356 -7.762 1.00 0.00 C ATOM 1862 CZ TYR A 123 13.270 3.233 -6.492 1.00 0.00 C ATOM 1863 OH TYR A 123 14.406 2.466 -6.282 1.00 0.00 O ATOM 0 H TYR A 123 7.911 4.589 -8.782 1.00 0.00 H new ATOM 0 HA TYR A 123 8.655 4.262 -5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.756 5.938 -8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.867 6.514 -6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 123 11.058 5.130 -4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 123 11.228 4.213 -8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 123 13.051 3.772 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 123 13.238 2.857 -8.590 1.00 0.00 H new ATOM 0 HH TYR A 123 14.227 1.800 -5.586 1.00 0.00 H new ATOM 1873 N VAL A 124 7.075 6.004 -5.234 1.00 0.00 N ATOM 1874 CA VAL A 124 6.057 6.941 -4.788 1.00 0.00 C ATOM 1875 C VAL A 124 6.577 7.710 -3.608 1.00 0.00 C ATOM 1876 O VAL A 124 7.658 7.413 -3.121 1.00 0.00 O ATOM 1877 CB VAL A 124 4.706 6.248 -4.420 1.00 0.00 C ATOM 1878 CG1 VAL A 124 4.044 5.641 -5.651 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.915 5.185 -3.351 1.00 0.00 C ATOM 0 H VAL A 124 7.469 5.423 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 124 5.845 7.612 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 124 4.041 7.013 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.106 5.166 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.844 6.426 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.707 4.897 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.960 4.717 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.607 4.429 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.327 5.647 -2.454 1.00 0.00 H new ATOM 1889 N LEU A 125 5.839 8.686 -3.161 1.00 0.00 N ATOM 1890 CA LEU A 125 6.245 9.476 -2.016 1.00 0.00 C ATOM 1891 C LEU A 125 5.888 8.740 -0.733 1.00 0.00 C ATOM 1892 O LEU A 125 5.157 7.749 -0.761 1.00 0.00 O ATOM 1893 CB LEU A 125 5.597 10.891 -2.012 1.00 0.00 C ATOM 1894 CG LEU A 125 4.068 11.002 -1.743 1.00 0.00 C ATOM 1895 CD1 LEU A 125 3.673 12.455 -1.564 1.00 0.00 C ATOM 1896 CD2 LEU A 125 3.238 10.391 -2.868 1.00 0.00 C ATOM 0 H LEU A 125 4.946 8.961 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 125 7.324 9.615 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.111 11.490 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.799 11.352 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 125 3.863 10.442 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.601 12.520 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.216 12.878 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.918 13.013 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.178 10.493 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.455 10.908 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.487 9.335 -2.972 1.00 0.00 H new