USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 673 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 63 SER OG : rot 39:sc= -0.208 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.688 K(o=0.48,f=-3.2) USER MOD Set 2.1: A 49 MET CE :methyl 165:sc= -9.61! (180deg=-11!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -175:sc= -2.3 (180deg=-2.45) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -2:sc= -1.12 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 31 SER OG : rot -34:sc= 0.966 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0305 (180deg=-0.308) USER MOD Single : A 42 SER OG : rot 180:sc= -0.714 USER MOD Single : A 43 THR OG1 : rot -31:sc= 0.782 USER MOD Single : A 45 THR OG1 : rot 6:sc= -2.01 USER MOD Single : A 48 HIS : no HE2:sc= 0.304 K(o=0.3,f=-5.7!) USER MOD Single : A 54 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-0.68) USER MOD Single : A 64 GLN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 69 SER OG : rot -35:sc= 1.1 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= -0.04 (180deg=-0.219) USER MOD Single : A 77 MET CE :methyl -131:sc= -0.742 (180deg=-1.69) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= -2.84! (180deg=-5.47!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0392 (180deg=-0.299) USER MOD Single : A 88 TYR OH : rot 91:sc=0.000431 USER MOD Single : A 91 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.17) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.00038) USER MOD Single : A 100 ASN : amide:sc= -2.13 X(o=-2.1,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -15.745 -0.092 6.546 1.00 0.00 N ATOM 2 CA GLY A 21 -15.224 -1.379 7.083 1.00 0.00 C ATOM 3 C GLY A 21 -15.522 -2.552 6.170 1.00 0.00 C ATOM 4 O GLY A 21 -16.592 -2.618 5.563 1.00 0.00 O ATOM 0 HA2 GLY A 21 -14.146 -1.299 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.664 -1.565 8.063 1.00 0.00 H new ATOM 8 N TYR A 22 -14.575 -3.479 6.072 1.00 0.00 N ATOM 9 CA TYR A 22 -14.742 -4.655 5.225 1.00 0.00 C ATOM 10 C TYR A 22 -14.945 -4.251 3.769 1.00 0.00 C ATOM 11 O TYR A 22 -16.070 -4.240 3.268 1.00 0.00 O ATOM 12 CB TYR A 22 -15.929 -5.492 5.707 1.00 0.00 C ATOM 13 CG TYR A 22 -16.181 -6.729 4.873 1.00 0.00 C ATOM 14 CD1 TYR A 22 -15.498 -7.912 5.125 1.00 0.00 C ATOM 15 CD2 TYR A 22 -17.103 -6.713 3.833 1.00 0.00 C ATOM 16 CE1 TYR A 22 -15.725 -9.044 4.366 1.00 0.00 C ATOM 17 CE2 TYR A 22 -17.336 -7.841 3.070 1.00 0.00 C ATOM 18 CZ TYR A 22 -16.645 -9.004 3.340 1.00 0.00 C ATOM 19 OH TYR A 22 -16.874 -10.129 2.581 1.00 0.00 O ATOM 0 H TYR A 22 -13.685 -3.439 6.568 1.00 0.00 H new ATOM 0 HA TYR A 22 -13.834 -5.254 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -15.755 -5.791 6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -16.825 -4.872 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.777 -7.948 5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -17.646 -5.804 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -15.185 -9.955 4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -18.056 -7.812 2.266 1.00 0.00 H new ATOM 0 HH TYR A 22 -17.552 -9.932 1.901 1.00 0.00 H new ATOM 29 N GLU A 23 -13.851 -3.917 3.093 1.00 0.00 N ATOM 30 CA GLU A 23 -13.912 -3.515 1.694 1.00 0.00 C ATOM 31 C GLU A 23 -12.652 -3.945 0.948 1.00 0.00 C ATOM 32 O GLU A 23 -12.681 -4.888 0.158 1.00 0.00 O ATOM 33 CB GLU A 23 -14.104 -2.000 1.585 1.00 0.00 C ATOM 34 CG GLU A 23 -14.311 -1.514 0.160 1.00 0.00 C ATOM 35 CD GLU A 23 -15.523 -2.144 -0.500 1.00 0.00 C ATOM 36 OE1 GLU A 23 -15.368 -3.210 -1.131 1.00 0.00 O ATOM 37 OE2 GLU A 23 -16.625 -1.569 -0.389 1.00 0.00 O ATOM 0 H GLU A 23 -12.912 -3.917 3.492 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.766 -4.012 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.963 -1.707 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.232 -1.500 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.425 -0.430 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.422 -1.739 -0.430 1.00 0.00 H new ATOM 44 N CYS A 24 -11.544 -3.250 1.200 1.00 0.00 N ATOM 45 CA CYS A 24 -10.278 -3.576 0.551 1.00 0.00 C ATOM 46 C CYS A 24 -9.164 -3.740 1.586 1.00 0.00 C ATOM 47 O CYS A 24 -8.864 -2.816 2.342 1.00 0.00 O ATOM 48 CB CYS A 24 -9.907 -2.489 -0.463 1.00 0.00 C ATOM 49 SG CYS A 24 -11.176 -2.184 -1.715 1.00 0.00 S ATOM 0 H CYS A 24 -11.498 -2.462 1.846 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.396 -4.523 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.709 -1.560 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.980 -2.773 -0.962 1.00 0.00 H new ATOM 0 HG CYS A 24 -12.168 -3.005 -1.536 1.00 0.00 H new ATOM 55 N GLN A 25 -8.557 -4.923 1.609 1.00 0.00 N ATOM 56 CA GLN A 25 -7.478 -5.221 2.545 1.00 0.00 C ATOM 57 C GLN A 25 -6.226 -5.663 1.793 1.00 0.00 C ATOM 58 O GLN A 25 -6.140 -6.794 1.317 1.00 0.00 O ATOM 59 CB GLN A 25 -7.912 -6.311 3.527 1.00 0.00 C ATOM 60 CG GLN A 25 -9.127 -5.931 4.356 1.00 0.00 C ATOM 61 CD GLN A 25 -9.535 -7.022 5.328 1.00 0.00 C ATOM 62 OE1 GLN A 25 -9.329 -8.208 5.070 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.115 -6.624 6.455 1.00 0.00 N ATOM 0 H GLN A 25 -8.796 -5.695 0.986 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.248 -4.314 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.132 -7.223 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.082 -6.538 4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.913 -5.017 4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.962 -5.712 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.266 -5.630 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.409 -7.312 7.148 1.00 0.00 H new ATOM 72 N LEU A 26 -5.256 -4.762 1.699 1.00 0.00 N ATOM 73 CA LEU A 26 -4.011 -5.042 0.988 1.00 0.00 C ATOM 74 C LEU A 26 -2.854 -5.222 1.963 1.00 0.00 C ATOM 75 O LEU A 26 -2.672 -4.413 2.872 1.00 0.00 O ATOM 76 CB LEU A 26 -3.717 -3.898 0.011 1.00 0.00 C ATOM 77 CG LEU A 26 -2.514 -4.090 -0.914 1.00 0.00 C ATOM 78 CD1 LEU A 26 -1.217 -3.870 -0.157 1.00 0.00 C ATOM 79 CD2 LEU A 26 -2.537 -5.473 -1.549 1.00 0.00 C ATOM 0 H LEU A 26 -5.306 -3.828 2.107 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.123 -5.973 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.601 -3.739 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.563 -2.986 0.588 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.575 -3.349 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.373 -4.011 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.196 -2.856 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.149 -4.585 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.672 -5.588 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.505 -6.233 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.451 -5.591 -2.132 1.00 0.00 H new ATOM 91 N ARG A 27 -2.065 -6.281 1.768 1.00 0.00 N ATOM 92 CA ARG A 27 -0.934 -6.545 2.646 1.00 0.00 C ATOM 93 C ARG A 27 0.300 -5.788 2.166 1.00 0.00 C ATOM 94 O ARG A 27 0.724 -5.935 1.022 1.00 0.00 O ATOM 95 CB ARG A 27 -0.647 -8.046 2.714 1.00 0.00 C ATOM 96 CG ARG A 27 -1.817 -8.869 3.227 1.00 0.00 C ATOM 97 CD ARG A 27 -1.413 -10.311 3.489 1.00 0.00 C ATOM 98 NE ARG A 27 -0.839 -10.946 2.304 1.00 0.00 N ATOM 99 CZ ARG A 27 -0.154 -12.087 2.334 1.00 0.00 C ATOM 100 NH1 ARG A 27 0.041 -12.722 3.483 1.00 0.00 N ATOM 101 NH2 ARG A 27 0.336 -12.595 1.213 1.00 0.00 N ATOM 0 H ARG A 27 -2.190 -6.960 1.017 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.186 -6.197 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.373 -8.400 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.215 -8.213 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.200 -8.425 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.628 -8.844 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.689 -10.342 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.285 -10.877 3.817 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.971 -10.488 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.335 -12.336 4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.567 -13.596 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.188 -12.112 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.861 -13.469 1.236 1.00 0.00 H new ATOM 115 N LEU A 28 0.872 -4.972 3.040 1.00 0.00 N ATOM 116 CA LEU A 28 2.045 -4.185 2.678 1.00 0.00 C ATOM 117 C LEU A 28 3.316 -4.750 3.269 1.00 0.00 C ATOM 118 O LEU A 28 3.506 -4.709 4.482 1.00 0.00 O ATOM 119 CB LEU A 28 1.898 -2.762 3.180 1.00 0.00 C ATOM 120 CG LEU A 28 0.827 -1.931 2.479 1.00 0.00 C ATOM 121 CD1 LEU A 28 1.088 -1.910 0.983 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.564 -2.473 2.778 1.00 0.00 C ATOM 0 H LEU A 28 0.547 -4.837 3.997 1.00 0.00 H new ATOM 0 HA LEU A 28 2.113 -4.213 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.672 -2.792 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.857 -2.255 3.072 1.00 0.00 H new ATOM 0 HG LEU A 28 0.873 -0.910 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.320 -1.315 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.067 -1.471 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.064 -2.928 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.309 -1.864 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.636 -3.503 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.744 -2.441 3.853 1.00 0.00 H new ATOM 134 N ARG A 29 4.198 -5.247 2.418 1.00 0.00 N ATOM 135 CA ARG A 29 5.464 -5.778 2.889 1.00 0.00 C ATOM 136 C ARG A 29 6.556 -4.723 2.722 1.00 0.00 C ATOM 137 O ARG A 29 7.115 -4.549 1.639 1.00 0.00 O ATOM 138 CB ARG A 29 5.818 -7.073 2.158 1.00 0.00 C ATOM 139 CG ARG A 29 5.901 -6.939 0.647 1.00 0.00 C ATOM 140 CD ARG A 29 6.390 -8.227 -0.001 1.00 0.00 C ATOM 141 NE ARG A 29 5.596 -9.385 0.404 1.00 0.00 N ATOM 142 CZ ARG A 29 5.813 -10.622 -0.034 1.00 0.00 C ATOM 143 NH1 ARG A 29 6.797 -10.868 -0.891 1.00 0.00 N ATOM 144 NH2 ARG A 29 5.045 -11.618 0.386 1.00 0.00 N ATOM 0 H ARG A 29 4.062 -5.294 1.408 1.00 0.00 H new ATOM 0 HA ARG A 29 5.378 -6.021 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.775 -7.436 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.072 -7.829 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.920 -6.680 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.575 -6.122 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.351 -8.123 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.434 -8.393 0.266 1.00 0.00 H new ATOM 0 HE ARG A 29 4.830 -9.236 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.392 -10.106 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.958 -11.819 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.288 -11.435 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.211 -12.567 0.050 1.00 0.00 H new ATOM 158 N LEU A 30 6.836 -4.005 3.806 1.00 0.00 N ATOM 159 CA LEU A 30 7.837 -2.942 3.789 1.00 0.00 C ATOM 160 C LEU A 30 9.203 -3.439 4.239 1.00 0.00 C ATOM 161 O LEU A 30 9.343 -4.565 4.704 1.00 0.00 O ATOM 162 CB LEU A 30 7.423 -1.792 4.706 1.00 0.00 C ATOM 163 CG LEU A 30 5.966 -1.786 5.188 1.00 0.00 C ATOM 164 CD1 LEU A 30 5.767 -0.726 6.260 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.002 -1.552 4.038 1.00 0.00 C ATOM 0 H LEU A 30 6.383 -4.140 4.710 1.00 0.00 H new ATOM 0 HA LEU A 30 7.904 -2.599 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.071 -1.805 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.612 -0.855 4.183 1.00 0.00 H new ATOM 0 HG LEU A 30 5.753 -2.767 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.729 -0.734 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.420 -0.938 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.010 0.255 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.979 -1.554 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.216 -0.589 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.118 -2.345 3.299 1.00 0.00 H new ATOM 177 N SER A 31 10.212 -2.576 4.105 1.00 0.00 N ATOM 178 CA SER A 31 11.579 -2.916 4.498 1.00 0.00 C ATOM 179 C SER A 31 12.016 -4.253 3.900 1.00 0.00 C ATOM 180 O SER A 31 13.096 -4.757 4.210 1.00 0.00 O ATOM 181 CB SER A 31 11.693 -2.968 6.023 1.00 0.00 C ATOM 182 OG SER A 31 13.013 -3.286 6.425 1.00 0.00 O ATOM 0 H SER A 31 10.107 -1.635 3.726 1.00 0.00 H new ATOM 0 HA SER A 31 12.239 -2.139 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.403 -2.006 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.000 -3.711 6.417 1.00 0.00 H new ATOM 0 HG SER A 31 13.413 -3.903 5.777 1.00 0.00 H new ATOM 188 N THR A 32 11.164 -4.818 3.047 1.00 0.00 N ATOM 189 CA THR A 32 11.434 -6.097 2.396 1.00 0.00 C ATOM 190 C THR A 32 11.006 -7.248 3.300 1.00 0.00 C ATOM 191 O THR A 32 11.433 -8.387 3.121 1.00 0.00 O ATOM 192 CB THR A 32 12.923 -6.263 2.021 1.00 0.00 C ATOM 193 OG1 THR A 32 13.425 -5.044 1.457 1.00 0.00 O ATOM 194 CG2 THR A 32 13.110 -7.396 1.023 1.00 0.00 C ATOM 0 H THR A 32 10.269 -4.403 2.788 1.00 0.00 H new ATOM 0 HA THR A 32 10.855 -6.113 1.472 1.00 0.00 H new ATOM 0 HB THR A 32 13.476 -6.503 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.370 -5.156 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.167 -7.492 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.754 -8.329 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.543 -7.180 0.117 1.00 0.00 H new ATOM 202 N GLY A 33 10.153 -6.936 4.274 1.00 0.00 N ATOM 203 CA GLY A 33 9.672 -7.948 5.195 1.00 0.00 C ATOM 204 C GLY A 33 8.852 -7.339 6.307 1.00 0.00 C ATOM 205 O GLY A 33 8.889 -7.797 7.449 1.00 0.00 O ATOM 0 H GLY A 33 9.787 -5.998 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.069 -8.677 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.519 -8.487 5.619 1.00 0.00 H new ATOM 209 N LYS A 34 8.107 -6.297 5.962 1.00 0.00 N ATOM 210 CA LYS A 34 7.279 -5.589 6.920 1.00 0.00 C ATOM 211 C LYS A 34 5.823 -5.610 6.465 1.00 0.00 C ATOM 212 O LYS A 34 5.266 -4.592 6.072 1.00 0.00 O ATOM 213 CB LYS A 34 7.814 -4.163 7.042 1.00 0.00 C ATOM 214 CG LYS A 34 6.964 -3.205 7.845 1.00 0.00 C ATOM 215 CD LYS A 34 6.625 -3.751 9.218 1.00 0.00 C ATOM 216 CE LYS A 34 5.234 -4.356 9.225 1.00 0.00 C ATOM 217 NZ LYS A 34 4.652 -4.403 10.595 1.00 0.00 N ATOM 0 H LYS A 34 8.062 -5.923 5.014 1.00 0.00 H new ATOM 0 HA LYS A 34 7.316 -6.069 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.805 -4.205 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.938 -3.755 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.492 -2.257 7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.043 -2.997 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.357 -4.506 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.683 -2.952 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.582 -3.773 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.275 -5.365 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.702 -4.823 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.260 -4.980 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.588 -3.438 10.978 1.00 0.00 H new ATOM 231 N ASP A 35 5.218 -6.789 6.523 1.00 0.00 N ATOM 232 CA ASP A 35 3.848 -6.978 6.104 1.00 0.00 C ATOM 233 C ASP A 35 2.878 -6.397 7.110 1.00 0.00 C ATOM 234 O ASP A 35 2.814 -6.811 8.267 1.00 0.00 O ATOM 235 CB ASP A 35 3.554 -8.462 5.896 1.00 0.00 C ATOM 236 CG ASP A 35 3.845 -9.287 7.134 1.00 0.00 C ATOM 237 OD1 ASP A 35 2.928 -9.453 7.966 1.00 0.00 O ATOM 238 OD2 ASP A 35 4.989 -9.767 7.272 1.00 0.00 O ATOM 0 H ASP A 35 5.669 -7.638 6.863 1.00 0.00 H new ATOM 0 HA ASP A 35 3.716 -6.450 5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.508 -8.587 5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.152 -8.835 5.065 1.00 0.00 H new ATOM 243 N LEU A 36 2.135 -5.430 6.634 1.00 0.00 N ATOM 244 CA LEU A 36 1.126 -4.745 7.417 1.00 0.00 C ATOM 245 C LEU A 36 -0.058 -4.466 6.516 1.00 0.00 C ATOM 246 O LEU A 36 -0.017 -3.563 5.680 1.00 0.00 O ATOM 247 CB LEU A 36 1.678 -3.443 8.004 1.00 0.00 C ATOM 248 CG LEU A 36 0.799 -2.785 9.071 1.00 0.00 C ATOM 249 CD1 LEU A 36 -0.481 -2.241 8.457 1.00 0.00 C ATOM 250 CD2 LEU A 36 0.478 -3.778 10.179 1.00 0.00 C ATOM 0 H LEU A 36 2.212 -5.088 5.676 1.00 0.00 H new ATOM 0 HA LEU A 36 0.820 -5.371 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.658 -3.645 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.829 -2.732 7.192 1.00 0.00 H new ATOM 0 HG LEU A 36 1.351 -1.949 9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.089 -1.778 9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.234 -1.498 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.039 -3.056 7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.148 -3.296 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.053 -4.632 9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.404 -4.118 10.642 1.00 0.00 H new ATOM 262 N LYS A 37 -1.103 -5.260 6.667 1.00 0.00 N ATOM 263 CA LYS A 37 -2.280 -5.114 5.836 1.00 0.00 C ATOM 264 C LYS A 37 -3.158 -3.954 6.296 1.00 0.00 C ATOM 265 O LYS A 37 -3.670 -3.947 7.416 1.00 0.00 O ATOM 266 CB LYS A 37 -3.065 -6.425 5.809 1.00 0.00 C ATOM 267 CG LYS A 37 -3.974 -6.637 7.011 1.00 0.00 C ATOM 268 CD LYS A 37 -4.666 -7.990 6.952 1.00 0.00 C ATOM 269 CE LYS A 37 -5.510 -8.238 8.192 1.00 0.00 C ATOM 270 NZ LYS A 37 -4.684 -8.264 9.431 1.00 0.00 N ATOM 0 H LYS A 37 -1.159 -6.010 7.356 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.954 -4.880 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.669 -6.454 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.361 -7.255 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.389 -6.565 7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.722 -5.845 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.298 -8.039 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.919 -8.778 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.267 -7.459 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.038 -9.186 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.230 -8.696 10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.823 -8.822 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.421 -7.293 9.694 1.00 0.00 H new ATOM 284 N LEU A 38 -3.315 -2.974 5.414 1.00 0.00 N ATOM 285 CA LEU A 38 -4.128 -1.799 5.698 1.00 0.00 C ATOM 286 C LEU A 38 -5.462 -1.884 4.957 1.00 0.00 C ATOM 287 O LEU A 38 -5.552 -2.485 3.881 1.00 0.00 O ATOM 288 CB LEU A 38 -3.368 -0.527 5.288 1.00 0.00 C ATOM 289 CG LEU A 38 -4.231 0.719 5.059 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.631 1.345 6.385 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.488 1.720 4.191 1.00 0.00 C ATOM 0 H LEU A 38 -2.886 -2.971 4.489 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.331 -1.760 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.633 -0.300 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.814 -0.736 4.373 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.142 0.421 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.243 2.228 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.201 0.624 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.736 1.633 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.112 2.600 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.562 2.014 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.256 1.265 3.228 1.00 0.00 H new ATOM 303 N VAL A 39 -6.494 -1.282 5.543 1.00 0.00 N ATOM 304 CA VAL A 39 -7.822 -1.276 4.942 1.00 0.00 C ATOM 305 C VAL A 39 -7.985 -0.073 4.019 1.00 0.00 C ATOM 306 O VAL A 39 -7.393 0.980 4.251 1.00 0.00 O ATOM 307 CB VAL A 39 -8.928 -1.249 6.014 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.865 -2.497 6.879 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.818 0.006 6.868 1.00 0.00 C ATOM 0 H VAL A 39 -6.434 -0.791 6.435 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.921 -2.196 4.365 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.894 -1.233 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.654 -2.459 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.001 -3.380 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.895 -2.548 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.608 0.006 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.847 0.025 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.920 0.887 6.235 1.00 0.00 H new ATOM 319 N VAL A 40 -8.796 -0.232 2.978 1.00 0.00 N ATOM 320 CA VAL A 40 -9.023 0.842 2.020 1.00 0.00 C ATOM 321 C VAL A 40 -10.322 0.634 1.252 1.00 0.00 C ATOM 322 O VAL A 40 -10.928 -0.438 1.309 1.00 0.00 O ATOM 323 CB VAL A 40 -7.857 0.942 1.019 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.612 1.490 1.698 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.574 -0.409 0.382 1.00 0.00 C ATOM 0 H VAL A 40 -9.306 -1.093 2.777 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.092 1.769 2.589 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.146 1.634 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.800 1.553 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.821 2.483 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.321 0.827 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.747 -0.314 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.310 -1.129 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.462 -0.755 -0.147 1.00 0.00 H new ATOM 335 N ARG A 41 -10.727 1.659 0.511 1.00 0.00 N ATOM 336 CA ARG A 41 -11.950 1.600 -0.276 1.00 0.00 C ATOM 337 C ARG A 41 -11.785 2.343 -1.600 1.00 0.00 C ATOM 338 O ARG A 41 -11.563 3.549 -1.606 1.00 0.00 O ATOM 339 CB ARG A 41 -13.107 2.198 0.527 1.00 0.00 C ATOM 340 CG ARG A 41 -14.453 2.139 -0.183 1.00 0.00 C ATOM 341 CD ARG A 41 -14.675 3.347 -1.078 1.00 0.00 C ATOM 342 NE ARG A 41 -16.038 3.394 -1.604 1.00 0.00 N ATOM 343 CZ ARG A 41 -16.503 4.374 -2.375 1.00 0.00 C ATOM 344 NH1 ARG A 41 -15.720 5.390 -2.713 1.00 0.00 N ATOM 345 NH2 ARG A 41 -17.755 4.337 -2.810 1.00 0.00 N ATOM 0 H ARG A 41 -10.223 2.543 0.440 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.168 0.556 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.186 1.670 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.876 3.238 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.509 1.229 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.252 2.084 0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.472 4.258 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.967 3.320 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.670 2.630 -1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.756 5.423 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.082 6.138 -3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.361 3.558 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.112 5.088 -3.401 1.00 0.00 H new ATOM 359 N SER A 42 -11.881 1.590 -2.703 1.00 0.00 N ATOM 360 CA SER A 42 -11.766 2.095 -4.087 1.00 0.00 C ATOM 361 C SER A 42 -11.256 3.538 -4.212 1.00 0.00 C ATOM 362 O SER A 42 -10.371 3.813 -5.020 1.00 0.00 O ATOM 363 CB SER A 42 -13.123 1.981 -4.784 1.00 0.00 C ATOM 364 OG SER A 42 -14.105 2.755 -4.117 1.00 0.00 O ATOM 0 H SER A 42 -12.045 0.584 -2.662 1.00 0.00 H new ATOM 0 HA SER A 42 -11.011 1.470 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.033 2.314 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.435 0.937 -4.811 1.00 0.00 H new ATOM 0 HG SER A 42 -14.963 2.667 -4.583 1.00 0.00 H new ATOM 370 N THR A 43 -11.809 4.453 -3.427 1.00 0.00 N ATOM 371 CA THR A 43 -11.376 5.843 -3.465 1.00 0.00 C ATOM 372 C THR A 43 -10.002 6.011 -2.819 1.00 0.00 C ATOM 373 O THR A 43 -9.427 7.100 -2.837 1.00 0.00 O ATOM 374 CB THR A 43 -12.382 6.767 -2.753 1.00 0.00 C ATOM 375 OG1 THR A 43 -11.933 8.126 -2.819 1.00 0.00 O ATOM 376 CG2 THR A 43 -12.558 6.355 -1.298 1.00 0.00 C ATOM 0 H THR A 43 -12.555 4.259 -2.759 1.00 0.00 H new ATOM 0 HA THR A 43 -11.317 6.125 -4.516 1.00 0.00 H new ATOM 0 HB THR A 43 -13.344 6.679 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.953 8.147 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.273 7.021 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.928 5.331 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.599 6.417 -0.784 1.00 0.00 H new ATOM 384 N ASP A 44 -9.478 4.927 -2.248 1.00 0.00 N ATOM 385 CA ASP A 44 -8.178 4.956 -1.597 1.00 0.00 C ATOM 386 C ASP A 44 -7.061 4.579 -2.570 1.00 0.00 C ATOM 387 O ASP A 44 -6.254 5.427 -2.947 1.00 0.00 O ATOM 388 CB ASP A 44 -8.178 4.009 -0.399 1.00 0.00 C ATOM 389 CG ASP A 44 -8.799 4.637 0.833 1.00 0.00 C ATOM 390 OD1 ASP A 44 -8.059 5.266 1.617 1.00 0.00 O ATOM 391 OD2 ASP A 44 -10.028 4.499 1.015 1.00 0.00 O ATOM 0 H ASP A 44 -9.939 4.017 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.991 5.973 -1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.725 3.102 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.154 3.711 -0.175 1.00 0.00 H new ATOM 396 N THR A 45 -7.018 3.308 -2.971 1.00 0.00 N ATOM 397 CA THR A 45 -5.991 2.825 -3.896 1.00 0.00 C ATOM 398 C THR A 45 -4.589 3.073 -3.343 1.00 0.00 C ATOM 399 O THR A 45 -4.376 4.001 -2.570 1.00 0.00 O ATOM 400 CB THR A 45 -6.110 3.489 -5.282 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.865 4.896 -5.185 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.489 3.245 -5.871 1.00 0.00 C ATOM 0 H THR A 45 -7.682 2.594 -2.670 1.00 0.00 H new ATOM 0 HA THR A 45 -6.153 1.753 -4.006 1.00 0.00 H new ATOM 0 HB THR A 45 -5.362 3.045 -5.939 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.587 5.117 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.556 3.721 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.655 2.173 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.247 3.666 -5.210 1.00 0.00 H new ATOM 410 N VAL A 46 -3.652 2.227 -3.752 1.00 0.00 N ATOM 411 CA VAL A 46 -2.251 2.286 -3.324 1.00 0.00 C ATOM 412 C VAL A 46 -1.793 3.680 -2.872 1.00 0.00 C ATOM 413 O VAL A 46 -1.004 3.790 -1.937 1.00 0.00 O ATOM 414 CB VAL A 46 -1.322 1.746 -4.441 1.00 0.00 C ATOM 415 CG1 VAL A 46 0.015 2.471 -4.464 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.116 0.243 -4.269 1.00 0.00 C ATOM 0 H VAL A 46 -3.843 1.465 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.180 1.649 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.807 1.933 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.637 2.063 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.150 3.534 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.518 2.337 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.462 -0.127 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.660 0.047 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.079 -0.265 -4.327 1.00 0.00 H new ATOM 426 N PHE A 47 -2.274 4.735 -3.521 1.00 0.00 N ATOM 427 CA PHE A 47 -1.884 6.093 -3.136 1.00 0.00 C ATOM 428 C PHE A 47 -2.369 6.373 -1.728 1.00 0.00 C ATOM 429 O PHE A 47 -1.567 6.499 -0.802 1.00 0.00 O ATOM 430 CB PHE A 47 -2.454 7.124 -4.108 1.00 0.00 C ATOM 431 CG PHE A 47 -1.697 8.422 -4.121 1.00 0.00 C ATOM 432 CD1 PHE A 47 -2.031 9.444 -3.247 1.00 0.00 C ATOM 433 CD2 PHE A 47 -0.651 8.619 -5.008 1.00 0.00 C ATOM 434 CE1 PHE A 47 -1.337 10.638 -3.257 1.00 0.00 C ATOM 435 CE2 PHE A 47 0.047 9.811 -5.024 1.00 0.00 C ATOM 436 CZ PHE A 47 -0.296 10.822 -4.147 1.00 0.00 C ATOM 0 H PHE A 47 -2.925 4.682 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.797 6.169 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.453 6.703 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.493 7.322 -3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.844 9.305 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.378 7.831 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.607 11.427 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.860 9.952 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.249 11.755 -4.157 1.00 0.00 H new ATOM 446 N HIS A 48 -3.683 6.473 -1.564 1.00 0.00 N ATOM 447 CA HIS A 48 -4.247 6.688 -0.245 1.00 0.00 C ATOM 448 C HIS A 48 -3.836 5.527 0.638 1.00 0.00 C ATOM 449 O HIS A 48 -3.550 5.691 1.823 1.00 0.00 O ATOM 450 CB HIS A 48 -5.760 6.782 -0.309 1.00 0.00 C ATOM 451 CG HIS A 48 -6.258 7.955 -1.098 1.00 0.00 C ATOM 452 ND1 HIS A 48 -6.436 7.925 -2.464 1.00 0.00 N ATOM 453 CD2 HIS A 48 -6.613 9.200 -0.702 1.00 0.00 C ATOM 454 CE1 HIS A 48 -6.878 9.100 -2.875 1.00 0.00 C ATOM 455 NE2 HIS A 48 -6.995 9.891 -1.826 1.00 0.00 N ATOM 0 H HIS A 48 -4.366 6.409 -2.319 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.875 7.628 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.154 5.866 -0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.155 6.844 0.705 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.255 7.121 -3.064 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.599 9.579 0.309 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.105 9.368 -3.896 1.00 0.00 H new ATOM 464 N MET A 49 -3.814 4.337 0.039 1.00 0.00 N ATOM 465 CA MET A 49 -3.381 3.145 0.741 1.00 0.00 C ATOM 466 C MET A 49 -2.046 3.451 1.396 1.00 0.00 C ATOM 467 O MET A 49 -1.808 3.141 2.563 1.00 0.00 O ATOM 468 CB MET A 49 -3.224 1.974 -0.229 1.00 0.00 C ATOM 469 CG MET A 49 -3.430 0.617 0.422 1.00 0.00 C ATOM 470 SD MET A 49 -2.971 -0.747 -0.660 1.00 0.00 S ATOM 471 CE MET A 49 -1.249 -0.367 -0.959 1.00 0.00 C ATOM 0 H MET A 49 -4.092 4.180 -0.930 1.00 0.00 H new ATOM 0 HA MET A 49 -4.124 2.865 1.488 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.938 2.089 -1.044 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.228 2.009 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.840 0.564 1.337 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.476 0.511 0.710 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.752 -1.239 -1.383 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.176 0.467 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.768 -0.097 -0.019 1.00 0.00 H new ATOM 481 N LYS A 50 -1.187 4.092 0.609 1.00 0.00 N ATOM 482 CA LYS A 50 0.124 4.507 1.067 1.00 0.00 C ATOM 483 C LYS A 50 -0.030 5.675 2.027 1.00 0.00 C ATOM 484 O LYS A 50 0.748 5.831 2.968 1.00 0.00 O ATOM 485 CB LYS A 50 1.011 4.915 -0.111 1.00 0.00 C ATOM 486 CG LYS A 50 2.099 3.906 -0.434 1.00 0.00 C ATOM 487 CD LYS A 50 1.517 2.548 -0.783 1.00 0.00 C ATOM 488 CE LYS A 50 2.610 1.564 -1.162 1.00 0.00 C ATOM 489 NZ LYS A 50 2.058 0.232 -1.526 1.00 0.00 N ATOM 0 H LYS A 50 -1.385 4.335 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 50 0.601 3.669 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.386 5.057 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.474 5.877 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.698 4.271 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.769 3.807 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.954 2.161 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.815 2.652 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.181 1.962 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.304 1.454 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.839 -0.433 -1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.465 -0.122 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.483 0.318 -2.389 1.00 0.00 H new ATOM 503 N ARG A 51 -1.041 6.509 1.775 1.00 0.00 N ATOM 504 CA ARG A 51 -1.308 7.644 2.641 1.00 0.00 C ATOM 505 C ARG A 51 -1.391 7.151 4.080 1.00 0.00 C ATOM 506 O ARG A 51 -0.672 7.615 4.974 1.00 0.00 O ATOM 507 CB ARG A 51 -2.612 8.344 2.250 1.00 0.00 C ATOM 508 CG ARG A 51 -2.871 9.621 3.032 1.00 0.00 C ATOM 509 CD ARG A 51 -4.229 10.217 2.694 1.00 0.00 C ATOM 510 NE ARG A 51 -5.326 9.329 3.071 1.00 0.00 N ATOM 511 CZ ARG A 51 -6.595 9.718 3.166 1.00 0.00 C ATOM 512 NH1 ARG A 51 -6.931 10.977 2.909 1.00 0.00 N ATOM 513 NH2 ARG A 51 -7.532 8.848 3.517 1.00 0.00 N ATOM 0 H ARG A 51 -1.679 6.416 0.985 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.500 8.368 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.585 8.578 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.444 7.657 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.821 9.411 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.089 10.348 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.343 11.172 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.279 10.421 1.624 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.106 8.354 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.215 11.651 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.905 11.270 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.280 7.879 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.504 9.147 3.590 1.00 0.00 H new ATOM 527 N ARG A 52 -2.267 6.175 4.284 1.00 0.00 N ATOM 528 CA ARG A 52 -2.443 5.578 5.589 1.00 0.00 C ATOM 529 C ARG A 52 -1.193 4.799 5.975 1.00 0.00 C ATOM 530 O ARG A 52 -0.898 4.644 7.156 1.00 0.00 O ATOM 531 CB ARG A 52 -3.672 4.672 5.610 1.00 0.00 C ATOM 532 CG ARG A 52 -4.986 5.434 5.675 1.00 0.00 C ATOM 533 CD ARG A 52 -6.165 4.496 5.875 1.00 0.00 C ATOM 534 NE ARG A 52 -7.428 5.222 5.983 1.00 0.00 N ATOM 535 CZ ARG A 52 -8.538 4.705 6.507 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.545 3.461 6.970 1.00 0.00 N ATOM 537 NH2 ARG A 52 -9.643 5.435 6.567 1.00 0.00 N ATOM 0 H ARG A 52 -2.865 5.784 3.556 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.601 6.372 6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.668 4.046 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.606 4.003 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.950 6.154 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.124 6.002 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.218 3.797 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.009 3.904 6.777 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.462 6.181 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.697 2.896 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.398 3.071 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.642 6.391 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.494 5.040 6.968 1.00 0.00 H new ATOM 551 N LEU A 53 -0.452 4.300 4.976 1.00 0.00 N ATOM 552 CA LEU A 53 0.782 3.570 5.263 1.00 0.00 C ATOM 553 C LEU A 53 1.681 4.421 6.149 1.00 0.00 C ATOM 554 O LEU A 53 2.204 3.949 7.156 1.00 0.00 O ATOM 555 CB LEU A 53 1.515 3.184 3.977 1.00 0.00 C ATOM 556 CG LEU A 53 1.388 1.711 3.578 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.134 0.826 4.565 1.00 0.00 C ATOM 558 CD2 LEU A 53 -0.075 1.304 3.495 1.00 0.00 C ATOM 0 H LEU A 53 -0.681 4.387 3.986 1.00 0.00 H new ATOM 0 HA LEU A 53 0.524 2.648 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.136 3.800 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.572 3.424 4.093 1.00 0.00 H new ATOM 0 HG LEU A 53 1.836 1.581 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.033 -0.217 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.189 1.100 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.715 0.960 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.145 0.254 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.549 1.449 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.581 1.917 2.749 1.00 0.00 H new ATOM 570 N HIS A 54 1.856 5.682 5.763 1.00 0.00 N ATOM 571 CA HIS A 54 2.657 6.608 6.547 1.00 0.00 C ATOM 572 C HIS A 54 1.984 6.831 7.893 1.00 0.00 C ATOM 573 O HIS A 54 2.643 6.930 8.927 1.00 0.00 O ATOM 574 CB HIS A 54 2.812 7.943 5.813 1.00 0.00 C ATOM 575 CG HIS A 54 3.518 8.995 6.615 1.00 0.00 C ATOM 576 ND1 HIS A 54 2.868 10.071 7.183 1.00 0.00 N ATOM 577 CD2 HIS A 54 4.825 9.135 6.941 1.00 0.00 C ATOM 578 CE1 HIS A 54 3.744 10.826 7.822 1.00 0.00 C ATOM 579 NE2 HIS A 54 4.938 10.278 7.691 1.00 0.00 N ATOM 0 H HIS A 54 1.454 6.082 4.915 1.00 0.00 H new ATOM 0 HA HIS A 54 3.650 6.183 6.696 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.361 7.776 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.824 8.312 5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.629 8.470 6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.521 11.736 8.360 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.805 10.645 8.084 1.00 0.00 H new ATOM 588 N ALA A 55 0.657 6.909 7.862 1.00 0.00 N ATOM 589 CA ALA A 55 -0.128 7.116 9.073 1.00 0.00 C ATOM 590 C ALA A 55 0.121 6.023 10.117 1.00 0.00 C ATOM 591 O ALA A 55 0.424 6.324 11.272 1.00 0.00 O ATOM 592 CB ALA A 55 -1.609 7.187 8.731 1.00 0.00 C ATOM 0 H ALA A 55 0.103 6.832 7.009 1.00 0.00 H new ATOM 0 HA ALA A 55 0.191 8.062 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.186 7.342 9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.785 8.016 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.919 6.254 8.260 1.00 0.00 H new ATOM 598 N ALA A 56 -0.003 4.758 9.714 1.00 0.00 N ATOM 599 CA ALA A 56 0.189 3.642 10.638 1.00 0.00 C ATOM 600 C ALA A 56 1.641 3.165 10.695 1.00 0.00 C ATOM 601 O ALA A 56 2.143 2.822 11.765 1.00 0.00 O ATOM 602 CB ALA A 56 -0.725 2.487 10.256 1.00 0.00 C ATOM 0 H ALA A 56 -0.234 4.482 8.760 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.067 4.004 11.634 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.575 1.660 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.764 2.815 10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.492 2.158 9.243 1.00 0.00 H new ATOM 608 N GLU A 57 2.314 3.143 9.550 1.00 0.00 N ATOM 609 CA GLU A 57 3.702 2.686 9.494 1.00 0.00 C ATOM 610 C GLU A 57 4.679 3.835 9.714 1.00 0.00 C ATOM 611 O GLU A 57 5.448 3.836 10.675 1.00 0.00 O ATOM 612 CB GLU A 57 3.996 2.024 8.147 1.00 0.00 C ATOM 613 CG GLU A 57 2.936 1.031 7.710 1.00 0.00 C ATOM 614 CD GLU A 57 2.663 -0.027 8.760 1.00 0.00 C ATOM 615 OE1 GLU A 57 1.830 0.227 9.656 1.00 0.00 O ATOM 616 OE2 GLU A 57 3.282 -1.110 8.688 1.00 0.00 O ATOM 0 H GLU A 57 1.926 3.434 8.652 1.00 0.00 H new ATOM 0 HA GLU A 57 3.835 1.959 10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.092 2.798 7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.957 1.513 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.012 1.565 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.254 0.548 6.786 1.00 0.00 H new ATOM 623 N GLY A 58 4.643 4.809 8.814 1.00 0.00 N ATOM 624 CA GLY A 58 5.539 5.945 8.911 1.00 0.00 C ATOM 625 C GLY A 58 6.254 6.234 7.603 1.00 0.00 C ATOM 626 O GLY A 58 7.136 7.090 7.549 1.00 0.00 O ATOM 0 H GLY A 58 4.008 4.833 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.973 6.826 9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.277 5.756 9.691 1.00 0.00 H new ATOM 630 N VAL A 59 5.876 5.517 6.545 1.00 0.00 N ATOM 631 CA VAL A 59 6.479 5.706 5.236 1.00 0.00 C ATOM 632 C VAL A 59 5.722 6.772 4.445 1.00 0.00 C ATOM 633 O VAL A 59 4.686 6.495 3.843 1.00 0.00 O ATOM 634 CB VAL A 59 6.489 4.381 4.445 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.021 4.582 3.037 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.316 3.338 5.181 1.00 0.00 C ATOM 0 H VAL A 59 5.152 4.799 6.574 1.00 0.00 H new ATOM 0 HA VAL A 59 7.507 6.037 5.383 1.00 0.00 H new ATOM 0 HB VAL A 59 5.461 4.027 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.015 3.630 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.390 5.296 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.041 4.964 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.316 2.407 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.340 3.696 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.886 3.162 6.167 1.00 0.00 H new ATOM 646 N GLU A 60 6.251 7.992 4.467 1.00 0.00 N ATOM 647 CA GLU A 60 5.645 9.118 3.762 1.00 0.00 C ATOM 648 C GLU A 60 5.801 8.968 2.248 1.00 0.00 C ATOM 649 O GLU A 60 6.568 8.128 1.782 1.00 0.00 O ATOM 650 CB GLU A 60 6.289 10.426 4.230 1.00 0.00 C ATOM 651 CG GLU A 60 7.780 10.506 3.948 1.00 0.00 C ATOM 652 CD GLU A 60 8.395 11.806 4.424 1.00 0.00 C ATOM 653 OE1 GLU A 60 8.844 11.861 5.589 1.00 0.00 O ATOM 654 OE2 GLU A 60 8.430 12.772 3.632 1.00 0.00 O ATOM 0 H GLU A 60 7.106 8.228 4.970 1.00 0.00 H new ATOM 0 HA GLU A 60 4.579 9.135 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.790 11.262 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.124 10.539 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.283 9.671 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.949 10.399 2.877 1.00 0.00 H new ATOM 661 N PRO A 61 5.075 9.787 1.458 1.00 0.00 N ATOM 662 CA PRO A 61 5.133 9.736 -0.007 1.00 0.00 C ATOM 663 C PRO A 61 6.547 9.528 -0.542 1.00 0.00 C ATOM 664 O PRO A 61 6.775 8.663 -1.389 1.00 0.00 O ATOM 665 CB PRO A 61 4.595 11.104 -0.410 1.00 0.00 C ATOM 666 CG PRO A 61 3.600 11.429 0.650 1.00 0.00 C ATOM 667 CD PRO A 61 4.138 10.832 1.926 1.00 0.00 C ATOM 0 HA PRO A 61 4.569 8.896 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.390 11.848 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.132 11.076 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.473 12.507 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.622 11.013 0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.645 11.580 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.341 10.410 2.538 1.00 0.00 H new ATOM 675 N GLY A 62 7.492 10.320 -0.048 1.00 0.00 N ATOM 676 CA GLY A 62 8.869 10.189 -0.493 1.00 0.00 C ATOM 677 C GLY A 62 9.403 8.785 -0.284 1.00 0.00 C ATOM 678 O GLY A 62 10.214 8.295 -1.069 1.00 0.00 O ATOM 0 H GLY A 62 7.332 11.047 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.935 10.448 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.494 10.899 0.049 1.00 0.00 H new ATOM 682 N SER A 63 8.945 8.143 0.784 1.00 0.00 N ATOM 683 CA SER A 63 9.366 6.785 1.110 1.00 0.00 C ATOM 684 C SER A 63 8.322 5.757 0.675 1.00 0.00 C ATOM 685 O SER A 63 8.541 4.553 0.798 1.00 0.00 O ATOM 686 CB SER A 63 9.611 6.659 2.613 1.00 0.00 C ATOM 687 OG SER A 63 10.614 7.561 3.047 1.00 0.00 O ATOM 0 H SER A 63 8.278 8.544 1.443 1.00 0.00 H new ATOM 0 HA SER A 63 10.290 6.585 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.684 6.855 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.909 5.638 2.851 1.00 0.00 H new ATOM 0 HG SER A 63 10.514 8.413 2.574 1.00 0.00 H new ATOM 693 N GLN A 64 7.187 6.231 0.171 1.00 0.00 N ATOM 694 CA GLN A 64 6.114 5.344 -0.262 1.00 0.00 C ATOM 695 C GLN A 64 6.375 4.781 -1.655 1.00 0.00 C ATOM 696 O GLN A 64 5.691 5.135 -2.615 1.00 0.00 O ATOM 697 CB GLN A 64 4.778 6.090 -0.246 1.00 0.00 C ATOM 698 CG GLN A 64 4.235 6.339 1.152 1.00 0.00 C ATOM 699 CD GLN A 64 3.280 7.520 1.222 1.00 0.00 C ATOM 700 OE1 GLN A 64 3.175 8.179 2.256 1.00 0.00 O ATOM 701 NE2 GLN A 64 2.578 7.796 0.127 1.00 0.00 N ATOM 0 H GLN A 64 6.987 7.224 0.053 1.00 0.00 H new ATOM 0 HA GLN A 64 6.075 4.507 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.900 7.046 -0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.045 5.517 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.721 5.443 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.068 6.513 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.694 7.225 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.924 8.578 0.124 1.00 0.00 H new ATOM 710 N ARG A 65 7.368 3.900 -1.765 1.00 0.00 N ATOM 711 CA ARG A 65 7.687 3.284 -3.046 1.00 0.00 C ATOM 712 C ARG A 65 6.888 1.998 -3.230 1.00 0.00 C ATOM 713 O ARG A 65 7.339 0.919 -2.852 1.00 0.00 O ATOM 714 CB ARG A 65 9.182 2.989 -3.131 1.00 0.00 C ATOM 715 CG ARG A 65 10.055 4.228 -3.020 1.00 0.00 C ATOM 716 CD ARG A 65 11.532 3.877 -3.087 1.00 0.00 C ATOM 717 NE ARG A 65 11.870 3.166 -4.319 1.00 0.00 N ATOM 718 CZ ARG A 65 12.215 3.768 -5.455 1.00 0.00 C ATOM 719 NH1 ARG A 65 12.250 5.093 -5.531 1.00 0.00 N ATOM 720 NH2 ARG A 65 12.519 3.042 -6.522 1.00 0.00 N ATOM 0 H ARG A 65 7.959 3.601 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 65 7.419 3.979 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.452 2.293 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.392 2.491 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.808 4.921 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.844 4.740 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.125 4.789 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.798 3.261 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 65 11.840 2.147 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.012 5.657 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.515 5.547 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.488 2.024 -6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.784 3.502 -7.393 1.00 0.00 H new ATOM 734 N TRP A 66 5.702 2.125 -3.819 1.00 0.00 N ATOM 735 CA TRP A 66 4.823 0.972 -4.045 1.00 0.00 C ATOM 736 C TRP A 66 5.392 0.041 -5.112 1.00 0.00 C ATOM 737 O TRP A 66 5.699 0.470 -6.221 1.00 0.00 O ATOM 738 CB TRP A 66 3.409 1.414 -4.463 1.00 0.00 C ATOM 739 CG TRP A 66 3.261 2.886 -4.719 1.00 0.00 C ATOM 740 CD1 TRP A 66 2.632 3.797 -3.920 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.750 3.614 -5.851 1.00 0.00 C ATOM 742 NE1 TRP A 66 2.701 5.047 -4.486 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.383 4.961 -5.672 1.00 0.00 C ATOM 744 CE3 TRP A 66 4.463 3.259 -7.000 1.00 0.00 C ATOM 745 CZ2 TRP A 66 3.706 5.951 -6.596 1.00 0.00 C ATOM 746 CZ3 TRP A 66 4.784 4.242 -7.916 1.00 0.00 C ATOM 747 CH2 TRP A 66 4.404 5.574 -7.710 1.00 0.00 C ATOM 0 H TRP A 66 5.324 3.013 -4.150 1.00 0.00 H new ATOM 0 HA TRP A 66 4.761 0.435 -3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.126 0.872 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.706 1.123 -3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.151 3.569 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.309 5.900 -4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.758 2.234 -7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.416 6.979 -6.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 5.337 3.979 -8.806 1.00 0.00 H new ATOM 0 HH2 TRP A 66 4.668 6.319 -8.446 1.00 0.00 H new ATOM 758 N PHE A 67 5.494 -1.245 -4.778 1.00 0.00 N ATOM 759 CA PHE A 67 6.034 -2.238 -5.708 1.00 0.00 C ATOM 760 C PHE A 67 5.405 -3.612 -5.494 1.00 0.00 C ATOM 761 O PHE A 67 5.540 -4.204 -4.427 1.00 0.00 O ATOM 762 CB PHE A 67 7.549 -2.354 -5.549 1.00 0.00 C ATOM 763 CG PHE A 67 8.317 -1.270 -6.249 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.461 -1.289 -7.627 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.901 -0.238 -5.532 1.00 0.00 C ATOM 766 CE1 PHE A 67 9.171 -0.297 -8.278 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.613 0.756 -6.178 1.00 0.00 C ATOM 768 CZ PHE A 67 9.748 0.726 -7.551 1.00 0.00 C ATOM 0 H PHE A 67 5.211 -1.623 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 67 5.793 -1.897 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.796 -2.334 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.872 -3.321 -5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.013 -2.088 -8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.799 -0.210 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.274 -0.322 -9.353 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.063 1.555 -5.608 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.304 1.502 -8.057 1.00 0.00 H new ATOM 778 N PHE A 68 4.734 -4.117 -6.523 1.00 0.00 N ATOM 779 CA PHE A 68 4.094 -5.426 -6.457 1.00 0.00 C ATOM 780 C PHE A 68 4.706 -6.376 -7.482 1.00 0.00 C ATOM 781 O PHE A 68 4.560 -6.180 -8.689 1.00 0.00 O ATOM 782 CB PHE A 68 2.591 -5.293 -6.706 1.00 0.00 C ATOM 783 CG PHE A 68 1.864 -6.607 -6.727 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.794 -7.356 -7.890 1.00 0.00 C ATOM 785 CD2 PHE A 68 1.252 -7.093 -5.583 1.00 0.00 C ATOM 786 CE1 PHE A 68 1.127 -8.565 -7.913 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.582 -8.302 -5.600 1.00 0.00 C ATOM 788 CZ PHE A 68 0.520 -9.039 -6.767 1.00 0.00 C ATOM 0 H PHE A 68 4.619 -3.638 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 68 4.256 -5.836 -5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.158 -4.661 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.433 -4.785 -7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.267 -6.990 -8.790 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.299 -6.521 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.080 -9.139 -8.827 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.108 -8.670 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.002 -9.984 -6.783 1.00 0.00 H new ATOM 798 N SER A 69 5.393 -7.403 -6.992 1.00 0.00 N ATOM 799 CA SER A 69 6.028 -8.388 -7.863 1.00 0.00 C ATOM 800 C SER A 69 7.141 -7.762 -8.705 1.00 0.00 C ATOM 801 O SER A 69 7.639 -8.383 -9.643 1.00 0.00 O ATOM 802 CB SER A 69 4.989 -9.041 -8.777 1.00 0.00 C ATOM 803 OG SER A 69 5.585 -10.018 -9.614 1.00 0.00 O ATOM 0 H SER A 69 5.525 -7.576 -5.995 1.00 0.00 H new ATOM 0 HA SER A 69 6.476 -9.149 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.208 -9.503 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.508 -8.278 -9.389 1.00 0.00 H new ATOM 0 HG SER A 69 6.485 -9.725 -9.870 1.00 0.00 H new ATOM 809 N GLY A 70 7.529 -6.533 -8.370 1.00 0.00 N ATOM 810 CA GLY A 70 8.584 -5.863 -9.112 1.00 0.00 C ATOM 811 C GLY A 70 8.069 -4.741 -9.995 1.00 0.00 C ATOM 812 O GLY A 70 8.810 -4.206 -10.820 1.00 0.00 O ATOM 0 H GLY A 70 7.133 -5.992 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.314 -5.459 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.106 -6.594 -9.730 1.00 0.00 H new ATOM 816 N ARG A 71 6.799 -4.381 -9.828 1.00 0.00 N ATOM 817 CA ARG A 71 6.199 -3.313 -10.620 1.00 0.00 C ATOM 818 C ARG A 71 5.644 -2.217 -9.711 1.00 0.00 C ATOM 819 O ARG A 71 5.016 -2.510 -8.697 1.00 0.00 O ATOM 820 CB ARG A 71 5.081 -3.869 -11.505 1.00 0.00 C ATOM 821 CG ARG A 71 5.564 -4.864 -12.549 1.00 0.00 C ATOM 822 CD ARG A 71 5.733 -6.257 -11.963 1.00 0.00 C ATOM 823 NE ARG A 71 4.478 -6.783 -11.426 1.00 0.00 N ATOM 824 CZ ARG A 71 3.616 -7.517 -12.129 1.00 0.00 C ATOM 825 NH1 ARG A 71 3.855 -7.800 -13.404 1.00 0.00 N ATOM 826 NH2 ARG A 71 2.508 -7.964 -11.556 1.00 0.00 N ATOM 0 H ARG A 71 6.168 -4.812 -9.153 1.00 0.00 H new ATOM 0 HA ARG A 71 6.974 -2.884 -11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.336 -4.352 -10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.583 -3.041 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.852 -4.900 -13.374 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.514 -4.525 -12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.108 -6.931 -12.733 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.482 -6.229 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 71 4.249 -6.575 -10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.704 -7.455 -13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.190 -8.362 -13.935 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.316 -7.746 -10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.847 -8.526 -12.093 1.00 0.00 H new ATOM 840 N PRO A 72 5.862 -0.935 -10.061 1.00 0.00 N ATOM 841 CA PRO A 72 5.373 0.189 -9.257 1.00 0.00 C ATOM 842 C PRO A 72 3.855 0.311 -9.313 1.00 0.00 C ATOM 843 O PRO A 72 3.278 0.438 -10.393 1.00 0.00 O ATOM 844 CB PRO A 72 6.026 1.423 -9.901 1.00 0.00 C ATOM 845 CG PRO A 72 7.060 0.893 -10.839 1.00 0.00 C ATOM 846 CD PRO A 72 6.598 -0.475 -11.246 1.00 0.00 C ATOM 0 HA PRO A 72 5.623 0.067 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.288 2.024 -10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.477 2.066 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.166 1.542 -11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.036 0.846 -10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.961 -0.441 -12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.436 -1.131 -11.482 1.00 0.00 H new ATOM 854 N LEU A 73 3.204 0.274 -8.149 1.00 0.00 N ATOM 855 CA LEU A 73 1.744 0.376 -8.111 1.00 0.00 C ATOM 856 C LEU A 73 1.277 1.804 -8.387 1.00 0.00 C ATOM 857 O LEU A 73 2.068 2.746 -8.360 1.00 0.00 O ATOM 858 CB LEU A 73 1.187 -0.093 -6.767 1.00 0.00 C ATOM 859 CG LEU A 73 1.374 -1.580 -6.464 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.670 -2.434 -7.507 1.00 0.00 C ATOM 861 CD2 LEU A 73 2.849 -1.934 -6.385 1.00 0.00 C ATOM 0 H LEU A 73 3.653 0.176 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 73 1.362 -0.276 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.662 0.485 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.122 0.136 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 73 0.924 -1.788 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.816 -3.488 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.396 -2.206 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.085 -2.221 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.957 -2.997 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.329 -1.707 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.321 -1.353 -5.593 1.00 0.00 H new ATOM 872 N THR A 74 -0.020 1.947 -8.647 1.00 0.00 N ATOM 873 CA THR A 74 -0.612 3.249 -8.935 1.00 0.00 C ATOM 874 C THR A 74 -1.810 3.539 -8.027 1.00 0.00 C ATOM 875 O THR A 74 -2.210 2.706 -7.218 1.00 0.00 O ATOM 876 CB THR A 74 -1.055 3.341 -10.409 1.00 0.00 C ATOM 877 OG1 THR A 74 -1.757 4.568 -10.641 1.00 0.00 O ATOM 878 CG2 THR A 74 -1.941 2.163 -10.784 1.00 0.00 C ATOM 0 H THR A 74 -0.683 1.172 -8.664 1.00 0.00 H new ATOM 0 HA THR A 74 0.159 3.996 -8.743 1.00 0.00 H new ATOM 0 HB THR A 74 -0.161 3.316 -11.032 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.031 4.615 -11.581 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.240 2.251 -11.828 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.390 1.233 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.829 2.159 -10.151 1.00 0.00 H new ATOM 886 N ASP A 75 -2.383 4.727 -8.191 1.00 0.00 N ATOM 887 CA ASP A 75 -3.529 5.175 -7.397 1.00 0.00 C ATOM 888 C ASP A 75 -4.852 4.606 -7.924 1.00 0.00 C ATOM 889 O ASP A 75 -5.925 5.127 -7.622 1.00 0.00 O ATOM 890 CB ASP A 75 -3.583 6.709 -7.404 1.00 0.00 C ATOM 891 CG ASP A 75 -4.784 7.269 -6.664 1.00 0.00 C ATOM 892 OD1 ASP A 75 -4.845 7.119 -5.427 1.00 0.00 O ATOM 893 OD2 ASP A 75 -5.664 7.859 -7.325 1.00 0.00 O ATOM 0 H ASP A 75 -2.067 5.410 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.397 4.807 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.671 7.100 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.604 7.061 -8.436 1.00 0.00 H new ATOM 898 N LYS A 76 -4.776 3.544 -8.710 1.00 0.00 N ATOM 899 CA LYS A 76 -5.971 2.919 -9.259 1.00 0.00 C ATOM 900 C LYS A 76 -5.875 1.404 -9.155 1.00 0.00 C ATOM 901 O LYS A 76 -6.431 0.674 -9.976 1.00 0.00 O ATOM 902 CB LYS A 76 -6.156 3.338 -10.719 1.00 0.00 C ATOM 903 CG LYS A 76 -6.453 4.819 -10.892 1.00 0.00 C ATOM 904 CD LYS A 76 -6.638 5.183 -12.356 1.00 0.00 C ATOM 905 CE LYS A 76 -6.959 6.659 -12.527 1.00 0.00 C ATOM 906 NZ LYS A 76 -5.888 7.530 -11.968 1.00 0.00 N ATOM 0 H LYS A 76 -3.901 3.096 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.835 3.250 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.254 3.089 -11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.970 2.759 -11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.353 5.078 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.637 5.406 -10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.731 4.940 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.442 4.583 -12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.091 6.881 -13.586 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.904 6.884 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.030 8.507 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.925 7.502 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.960 7.189 -12.291 1.00 0.00 H new ATOM 920 N MET A 77 -5.163 0.939 -8.134 1.00 0.00 N ATOM 921 CA MET A 77 -4.974 -0.490 -7.923 1.00 0.00 C ATOM 922 C MET A 77 -6.055 -1.104 -7.038 1.00 0.00 C ATOM 923 O MET A 77 -6.598 -2.160 -7.365 1.00 0.00 O ATOM 924 CB MET A 77 -3.603 -0.757 -7.300 1.00 0.00 C ATOM 925 CG MET A 77 -2.441 -0.303 -8.164 1.00 0.00 C ATOM 926 SD MET A 77 -2.490 -1.009 -9.823 1.00 0.00 S ATOM 927 CE MET A 77 -2.456 -2.759 -9.447 1.00 0.00 C ATOM 0 H MET A 77 -4.708 1.532 -7.440 1.00 0.00 H new ATOM 0 HA MET A 77 -5.042 -0.960 -8.904 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.547 -0.251 -6.336 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.504 -1.825 -7.105 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.450 0.785 -8.236 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.504 -0.583 -7.682 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.695 -3.247 -10.056 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.222 -2.900 -8.392 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.430 -3.197 -9.664 1.00 0.00 H new ATOM 937 N LYS A 78 -6.412 -0.430 -5.946 1.00 0.00 N ATOM 938 CA LYS A 78 -7.392 -0.992 -5.024 1.00 0.00 C ATOM 939 C LYS A 78 -8.710 -1.287 -5.721 1.00 0.00 C ATOM 940 O LYS A 78 -9.111 -2.447 -5.833 1.00 0.00 O ATOM 941 CB LYS A 78 -7.623 -0.082 -3.820 1.00 0.00 C ATOM 942 CG LYS A 78 -6.501 -0.154 -2.788 1.00 0.00 C ATOM 943 CD LYS A 78 -6.200 -1.589 -2.377 1.00 0.00 C ATOM 944 CE LYS A 78 -4.835 -2.043 -2.880 1.00 0.00 C ATOM 945 NZ LYS A 78 -4.912 -2.702 -4.214 1.00 0.00 N ATOM 0 H LYS A 78 -6.046 0.485 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.978 -1.933 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.725 0.947 -4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.565 -0.353 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.600 0.303 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.780 0.425 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.234 -1.671 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.972 -2.250 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.169 -1.183 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.397 -2.735 -2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.186 -3.444 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.853 -3.127 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.751 -1.995 -4.960 1.00 0.00 H new ATOM 959 N PHE A 79 -9.384 -0.251 -6.188 1.00 0.00 N ATOM 960 CA PHE A 79 -10.649 -0.430 -6.879 1.00 0.00 C ATOM 961 C PHE A 79 -10.498 -1.314 -8.120 1.00 0.00 C ATOM 962 O PHE A 79 -11.490 -1.813 -8.651 1.00 0.00 O ATOM 963 CB PHE A 79 -11.229 0.923 -7.292 1.00 0.00 C ATOM 964 CG PHE A 79 -12.578 0.825 -7.946 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.625 0.176 -7.312 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.797 1.378 -9.197 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.866 0.081 -7.914 1.00 0.00 C ATOM 968 CE2 PHE A 79 -14.036 1.287 -9.804 1.00 0.00 C ATOM 969 CZ PHE A 79 -15.072 0.638 -9.161 1.00 0.00 C ATOM 0 H PHE A 79 -9.079 0.718 -6.102 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.327 -0.925 -6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.307 1.560 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.537 1.412 -7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.470 -0.261 -6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.990 1.886 -9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.674 -0.428 -7.410 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.194 1.723 -10.780 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.041 0.566 -9.632 1.00 0.00 H new ATOM 979 N GLU A 80 -9.264 -1.510 -8.584 1.00 0.00 N ATOM 980 CA GLU A 80 -9.027 -2.315 -9.778 1.00 0.00 C ATOM 981 C GLU A 80 -8.802 -3.786 -9.439 1.00 0.00 C ATOM 982 O GLU A 80 -9.060 -4.664 -10.262 1.00 0.00 O ATOM 983 CB GLU A 80 -7.824 -1.771 -10.549 1.00 0.00 C ATOM 984 CG GLU A 80 -7.528 -2.533 -11.831 1.00 0.00 C ATOM 985 CD GLU A 80 -6.326 -1.983 -12.573 1.00 0.00 C ATOM 986 OE1 GLU A 80 -6.510 -1.081 -13.417 1.00 0.00 O ATOM 987 OE2 GLU A 80 -5.200 -2.454 -12.309 1.00 0.00 O ATOM 0 H GLU A 80 -8.422 -1.126 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.921 -2.250 -10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.002 -0.723 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.945 -1.804 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.354 -3.583 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.401 -2.494 -12.482 1.00 0.00 H new ATOM 994 N GLU A 81 -8.320 -4.053 -8.232 1.00 0.00 N ATOM 995 CA GLU A 81 -8.038 -5.418 -7.815 1.00 0.00 C ATOM 996 C GLU A 81 -9.245 -6.025 -7.124 1.00 0.00 C ATOM 997 O GLU A 81 -9.859 -6.963 -7.623 1.00 0.00 O ATOM 998 CB GLU A 81 -6.826 -5.450 -6.883 1.00 0.00 C ATOM 999 CG GLU A 81 -6.223 -6.835 -6.712 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.728 -7.419 -8.020 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -4.548 -7.196 -8.361 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -6.522 -8.100 -8.704 1.00 0.00 O ATOM 0 H GLU A 81 -8.117 -3.344 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.814 -6.008 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.062 -4.776 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.120 -5.068 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.395 -6.782 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.969 -7.502 -6.280 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.589 -5.448 -5.980 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.703 -5.911 -5.178 1.00 0.00 C ATOM 1011 C LEU A 82 -10.537 -7.358 -4.752 1.00 0.00 C ATOM 1012 O LEU A 82 -11.439 -7.951 -4.162 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.961 -5.701 -5.979 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.031 -4.298 -6.547 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -13.102 -4.183 -7.594 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -12.217 -3.318 -5.415 1.00 0.00 C ATOM 0 H LEU A 82 -9.100 -4.645 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.753 -5.341 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.001 -6.426 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.830 -5.882 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.096 -4.061 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.125 -3.164 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.890 -4.875 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -14.069 -4.426 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.268 -2.305 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -13.142 -3.546 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.376 -3.394 -4.726 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.364 -7.906 -5.030 1.00 0.00 N ATOM 1029 CA LYS A 83 -9.055 -9.284 -4.687 1.00 0.00 C ATOM 1030 C LYS A 83 -7.941 -9.345 -3.642 1.00 0.00 C ATOM 1031 O LYS A 83 -7.553 -10.423 -3.198 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.625 -10.064 -5.933 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.562 -9.923 -7.120 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.801 -10.785 -6.962 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.897 -10.029 -6.239 1.00 0.00 C ATOM 1036 NZ LYS A 83 -12.881 -10.947 -5.603 1.00 0.00 N ATOM 0 H LYS A 83 -8.604 -7.411 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.957 -9.735 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.631 -9.730 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.543 -11.120 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.856 -8.879 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.037 -10.204 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.157 -11.100 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.551 -11.690 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.454 -9.388 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.413 -9.376 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.614 -10.389 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.324 -11.541 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.394 -11.553 -4.912 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.449 -8.174 -3.244 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.361 -8.067 -2.277 1.00 0.00 C ATOM 1052 C ILE A 84 -6.602 -8.831 -0.966 1.00 0.00 C ATOM 1053 O ILE A 84 -5.653 -9.370 -0.399 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.070 -6.594 -1.941 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.297 -5.949 -1.300 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.657 -5.839 -3.195 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -7.116 -4.484 -0.987 1.00 0.00 C ATOM 0 H ILE A 84 -7.793 -7.275 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.505 -8.531 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.246 -6.550 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.150 -6.066 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.538 -6.481 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.454 -4.798 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.759 -6.293 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.462 -5.884 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.027 -4.093 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.284 -4.360 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.906 -3.939 -1.907 1.00 0.00 H new ATOM 1069 N PRO A 85 -7.851 -8.899 -0.450 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.138 -9.592 0.810 1.00 0.00 C ATOM 1071 C PRO A 85 -7.412 -10.931 0.952 1.00 0.00 C ATOM 1072 O PRO A 85 -7.890 -11.967 0.491 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.662 -9.811 0.773 1.00 0.00 C ATOM 1074 CG PRO A 85 -10.130 -9.259 -0.537 1.00 0.00 C ATOM 1075 CD PRO A 85 -9.075 -8.296 -0.993 1.00 0.00 C ATOM 0 HA PRO A 85 -7.794 -9.005 1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.906 -10.870 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.149 -9.303 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.269 -10.057 -1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.091 -8.758 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.041 -8.213 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.243 -7.293 -0.602 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.246 -10.885 1.599 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.435 -12.076 1.849 1.00 0.00 C ATOM 1085 C LYS A 86 -4.905 -12.710 0.562 1.00 0.00 C ATOM 1086 O LYS A 86 -4.411 -13.837 0.586 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.245 -13.109 2.634 1.00 0.00 C ATOM 1088 CG LYS A 86 -6.639 -12.642 4.027 1.00 0.00 C ATOM 1089 CD LYS A 86 -5.415 -12.348 4.881 1.00 0.00 C ATOM 1090 CE LYS A 86 -5.807 -11.930 6.289 1.00 0.00 C ATOM 1091 NZ LYS A 86 -6.571 -12.996 6.993 1.00 0.00 N ATOM 0 H LYS A 86 -5.839 -10.023 1.963 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.573 -11.754 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.147 -13.354 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.663 -14.027 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.255 -11.746 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.247 -13.407 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.780 -13.233 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.827 -11.557 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.910 -11.690 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.408 -11.022 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.585 -12.796 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.546 -13.021 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.116 -13.916 6.827 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.002 -11.998 -0.556 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.517 -12.534 -1.826 1.00 0.00 C ATOM 1107 C ASP A 87 -3.331 -11.738 -2.367 1.00 0.00 C ATOM 1108 O ASP A 87 -2.361 -12.316 -2.856 1.00 0.00 O ATOM 1109 CB ASP A 87 -5.639 -12.555 -2.862 1.00 0.00 C ATOM 1110 CG ASP A 87 -6.890 -13.242 -2.351 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -6.938 -14.490 -2.387 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -7.820 -12.534 -1.914 1.00 0.00 O ATOM 0 H ASP A 87 -5.405 -11.063 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.179 -13.553 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.882 -11.532 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.290 -13.064 -3.760 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.409 -10.411 -2.281 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.340 -9.557 -2.796 1.00 0.00 C ATOM 1119 C TYR A 88 -1.598 -8.814 -1.687 1.00 0.00 C ATOM 1120 O TYR A 88 -2.183 -8.412 -0.676 1.00 0.00 O ATOM 1121 CB TYR A 88 -2.906 -8.551 -3.800 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.492 -9.196 -5.036 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.698 -9.882 -4.980 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -2.837 -9.119 -6.258 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -5.236 -10.473 -6.106 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.369 -9.708 -7.390 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.568 -10.384 -7.309 1.00 0.00 C ATOM 1128 OH TYR A 88 -5.101 -10.970 -8.434 1.00 0.00 O ATOM 0 H TYR A 88 -4.192 -9.908 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.621 -10.211 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.677 -7.956 -3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.115 -7.864 -4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.224 -9.955 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.897 -8.591 -6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.175 -11.002 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.848 -9.639 -8.333 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.667 -10.322 -8.904 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.298 -8.631 -1.901 1.00 0.00 N ATOM 1139 CA VAL A 89 0.552 -7.930 -0.950 1.00 0.00 C ATOM 1140 C VAL A 89 1.539 -7.025 -1.682 1.00 0.00 C ATOM 1141 O VAL A 89 2.480 -7.501 -2.316 1.00 0.00 O ATOM 1142 CB VAL A 89 1.331 -8.917 -0.053 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.192 -9.849 -0.892 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.183 -8.167 0.964 1.00 0.00 C ATOM 0 H VAL A 89 0.191 -8.963 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.098 -7.325 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 89 0.606 -9.523 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.731 -10.534 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.557 -10.419 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.906 -9.263 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.723 -8.882 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.896 -7.529 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.540 -7.552 1.594 1.00 0.00 H new ATOM 1154 N VAL A 90 1.320 -5.716 -1.596 1.00 0.00 N ATOM 1155 CA VAL A 90 2.199 -4.758 -2.252 1.00 0.00 C ATOM 1156 C VAL A 90 3.475 -4.556 -1.455 1.00 0.00 C ATOM 1157 O VAL A 90 3.438 -4.307 -0.250 1.00 0.00 O ATOM 1158 CB VAL A 90 1.517 -3.389 -2.458 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.457 -2.423 -3.166 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.222 -3.547 -3.241 1.00 0.00 C ATOM 0 H VAL A 90 0.545 -5.298 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 90 2.437 -5.178 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 90 1.276 -2.976 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.958 -1.464 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.355 -2.283 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.732 -2.830 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.243 -2.571 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.437 -3.984 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.457 -4.200 -2.693 1.00 0.00 H new ATOM 1170 N GLN A 91 4.604 -4.669 -2.138 1.00 0.00 N ATOM 1171 CA GLN A 91 5.891 -4.490 -1.500 1.00 0.00 C ATOM 1172 C GLN A 91 6.351 -3.050 -1.667 1.00 0.00 C ATOM 1173 O GLN A 91 6.455 -2.548 -2.785 1.00 0.00 O ATOM 1174 CB GLN A 91 6.922 -5.453 -2.087 1.00 0.00 C ATOM 1175 CG GLN A 91 8.216 -5.499 -1.297 1.00 0.00 C ATOM 1176 CD GLN A 91 9.391 -4.930 -2.067 1.00 0.00 C ATOM 1177 OE1 GLN A 91 10.095 -5.653 -2.771 1.00 0.00 O ATOM 1178 NE2 GLN A 91 9.609 -3.627 -1.938 1.00 0.00 N ATOM 0 H GLN A 91 4.651 -4.884 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 91 5.791 -4.709 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.493 -6.454 -2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.141 -5.159 -3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.091 -4.941 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.433 -6.531 -1.022 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.000 -3.064 -1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.385 -3.188 -2.433 1.00 0.00 H new ATOM 1187 N VAL A 92 6.623 -2.389 -0.553 1.00 0.00 N ATOM 1188 CA VAL A 92 7.043 -0.995 -0.585 1.00 0.00 C ATOM 1189 C VAL A 92 8.550 -0.850 -0.400 1.00 0.00 C ATOM 1190 O VAL A 92 9.239 -1.800 -0.028 1.00 0.00 O ATOM 1191 CB VAL A 92 6.340 -0.182 0.517 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.829 -0.331 0.430 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.827 -0.619 1.881 1.00 0.00 C ATOM 0 H VAL A 92 6.561 -2.792 0.382 1.00 0.00 H new ATOM 0 HA VAL A 92 6.765 -0.613 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 92 6.587 0.869 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.360 0.254 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.483 0.026 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.560 -1.381 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.322 -0.036 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.607 -1.677 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.903 -0.459 1.952 1.00 0.00 H new ATOM 1203 N ILE A 93 9.043 0.361 -0.635 1.00 0.00 N ATOM 1204 CA ILE A 93 10.452 0.663 -0.469 1.00 0.00 C ATOM 1205 C ILE A 93 10.616 2.054 0.126 1.00 0.00 C ATOM 1206 O ILE A 93 10.011 3.025 -0.339 1.00 0.00 O ATOM 1207 CB ILE A 93 11.233 0.584 -1.792 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.861 -0.685 -2.556 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.729 0.624 -1.522 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.572 -0.819 -3.885 1.00 0.00 C ATOM 0 H ILE A 93 8.479 1.153 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 93 10.862 -0.091 0.203 1.00 0.00 H new ATOM 0 HB ILE A 93 10.967 1.445 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.094 -1.553 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.784 -0.695 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.271 0.567 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.982 1.554 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.008 -0.221 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.260 -1.743 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.319 0.030 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.649 -0.841 -3.721 1.00 0.00 H new ATOM 1222 N VAL A 94 11.425 2.124 1.169 1.00 0.00 N ATOM 1223 CA VAL A 94 11.699 3.377 1.867 1.00 0.00 C ATOM 1224 C VAL A 94 13.201 3.560 2.078 1.00 0.00 C ATOM 1225 O VAL A 94 13.779 3.001 3.010 1.00 0.00 O ATOM 1226 CB VAL A 94 10.972 3.433 3.238 1.00 0.00 C ATOM 1227 CG1 VAL A 94 11.016 2.075 3.922 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.581 4.500 4.141 1.00 0.00 C ATOM 0 H VAL A 94 11.912 1.317 1.559 1.00 0.00 H new ATOM 0 HA VAL A 94 11.322 4.186 1.241 1.00 0.00 H new ATOM 0 HB VAL A 94 9.931 3.699 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.502 2.134 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.525 1.334 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.053 1.783 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.052 4.516 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.633 4.273 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.495 5.475 3.662 1.00 0.00 H new ATOM 1238 N SER A 95 13.825 4.345 1.207 1.00 0.00 N ATOM 1239 CA SER A 95 15.257 4.602 1.301 1.00 0.00 C ATOM 1240 C SER A 95 15.522 5.984 1.888 1.00 0.00 C ATOM 1241 O SER A 95 16.501 6.643 1.537 1.00 0.00 O ATOM 1242 CB SER A 95 15.908 4.488 -0.079 1.00 0.00 C ATOM 1243 OG SER A 95 15.731 3.190 -0.620 1.00 0.00 O ATOM 0 H SER A 95 13.362 4.814 0.428 1.00 0.00 H new ATOM 0 HA SER A 95 15.694 3.855 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.474 5.228 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.972 4.712 -0.002 1.00 0.00 H new ATOM 0 HG SER A 95 16.154 3.143 -1.503 1.00 0.00 H new ATOM 1249 N GLN A 96 14.643 6.418 2.787 1.00 0.00 N ATOM 1250 CA GLN A 96 14.781 7.722 3.425 1.00 0.00 C ATOM 1251 C GLN A 96 14.865 7.579 4.944 1.00 0.00 C ATOM 1252 O GLN A 96 13.962 8.002 5.666 1.00 0.00 O ATOM 1253 CB GLN A 96 13.603 8.623 3.051 1.00 0.00 C ATOM 1254 CG GLN A 96 13.387 8.755 1.552 1.00 0.00 C ATOM 1255 CD GLN A 96 12.207 9.643 1.210 1.00 0.00 C ATOM 1256 OE1 GLN A 96 11.238 9.725 1.963 1.00 0.00 O ATOM 1257 NE2 GLN A 96 12.285 10.317 0.068 1.00 0.00 N ATOM 0 H GLN A 96 13.828 5.885 3.090 1.00 0.00 H new ATOM 0 HA GLN A 96 15.705 8.177 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 96 12.695 8.227 3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.766 9.614 3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.288 9.162 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.229 7.766 1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.108 10.219 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.522 10.932 -0.214 1.00 0.00 H new ATOM 1266 N PRO A 97 15.955 6.977 5.448 1.00 0.00 N ATOM 1267 CA PRO A 97 16.153 6.781 6.887 1.00 0.00 C ATOM 1268 C PRO A 97 16.487 8.079 7.617 1.00 0.00 C ATOM 1269 O PRO A 97 16.433 8.142 8.846 1.00 0.00 O ATOM 1270 CB PRO A 97 17.335 5.814 6.950 1.00 0.00 C ATOM 1271 CG PRO A 97 18.099 6.072 5.698 1.00 0.00 C ATOM 1272 CD PRO A 97 17.079 6.442 4.656 1.00 0.00 C ATOM 0 HA PRO A 97 15.251 6.411 7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.948 5.995 7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.998 4.779 7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 97 18.820 6.877 5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 97 18.662 5.189 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.468 7.184 3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.778 5.577 4.065 1.00 0.00 H new ATOM 1280 N VAL A 98 16.833 9.115 6.857 1.00 0.00 N ATOM 1281 CA VAL A 98 17.177 10.407 7.439 1.00 0.00 C ATOM 1282 C VAL A 98 15.991 11.367 7.399 1.00 0.00 C ATOM 1283 O VAL A 98 15.824 12.198 8.291 1.00 0.00 O ATOM 1284 CB VAL A 98 18.375 11.049 6.712 1.00 0.00 C ATOM 1285 CG1 VAL A 98 18.044 11.302 5.249 1.00 0.00 C ATOM 1286 CG2 VAL A 98 18.794 12.340 7.402 1.00 0.00 C ATOM 0 H VAL A 98 16.882 9.084 5.839 1.00 0.00 H new ATOM 0 HA VAL A 98 17.450 10.222 8.478 1.00 0.00 H new ATOM 0 HB VAL A 98 19.213 10.353 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 98 18.903 11.755 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 98 17.802 10.357 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 98 17.189 11.975 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 98 19.641 12.777 6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 98 17.961 13.043 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 98 19.081 12.126 8.432 1.00 0.00 H new ATOM 1296 N GLN A 99 15.170 11.247 6.359 1.00 0.00 N ATOM 1297 CA GLN A 99 14.002 12.109 6.208 1.00 0.00 C ATOM 1298 C GLN A 99 12.989 11.852 7.320 1.00 0.00 C ATOM 1299 O GLN A 99 12.040 11.088 7.143 1.00 0.00 O ATOM 1300 CB GLN A 99 13.346 11.884 4.843 1.00 0.00 C ATOM 1301 CG GLN A 99 14.260 12.193 3.667 1.00 0.00 C ATOM 1302 CD GLN A 99 14.120 13.618 3.155 1.00 0.00 C ATOM 1303 OE1 GLN A 99 14.318 13.881 1.970 1.00 0.00 O ATOM 1304 NE2 GLN A 99 13.779 14.548 4.043 1.00 0.00 N ATOM 0 H GLN A 99 15.291 10.564 5.611 1.00 0.00 H new ATOM 0 HA GLN A 99 14.336 13.144 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.018 10.847 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.454 12.506 4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.294 12.021 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.043 11.499 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.623 14.290 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.673 15.519 3.749 1.00 0.00 H new ATOM 1313 N ASN A 100 13.196 12.498 8.462 1.00 0.00 N ATOM 1314 CA ASN A 100 12.301 12.339 9.603 1.00 0.00 C ATOM 1315 C ASN A 100 12.383 13.547 10.531 1.00 0.00 C ATOM 1316 O ASN A 100 11.608 14.505 10.323 1.00 0.00 O ATOM 1317 CB ASN A 100 12.647 11.064 10.375 1.00 0.00 C ATOM 1318 CG ASN A 100 12.496 9.815 9.528 1.00 0.00 C ATOM 1319 OD1 ASN A 100 13.438 9.387 8.861 1.00 0.00 O ATOM 1320 ND2 ASN A 100 11.308 9.225 9.550 1.00 0.00 N ATOM 0 H ASN A 100 13.975 13.136 8.623 1.00 0.00 H new ATOM 0 HA ASN A 100 11.281 12.262 9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.672 11.130 10.740 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.002 10.986 11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.147 8.382 8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.555 9.615 10.118 1.00 0.00 H new TER 1327 ASN A 100