USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 871 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 Single : A 7 ASN : amide:sc= -4.77! C(o=-4.8!,f=-13!) USER MOD Single : A 12 HIS : no HD1:sc= -9.76! C(o=-9.8!,f=-8.1!) USER MOD Single : A 14 TYR OH : rot -116:sc= -1.68! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -140:sc= -10.7! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -3.14! USER MOD Single : A 44 SER OG : rot -173:sc= -13.3! USER MOD Single : A 54 TYR OH : rot 15:sc= -1! USER MOD Single : A 57 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.0106 (180deg=-0.135) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc=-0.00309 (180deg=-0.116) USER MOD Single : A 84 HIS : no HD1:sc= -1.48! K(o=-1.5!,f=-0.45) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.658 K(o=-0.66,f=-2.5!) USER MOD Single : A 96 LYS NZ :NH3+ 149:sc= -0.1 (180deg=-0.978) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -113:sc= -0.417 (180deg=-0.874) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.37) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -148:sc= 0.321 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.473 -4.727 2.871 1.00 0.31 N ATOM 45 CA VAL A 4 7.501 -4.687 1.797 1.00 0.85 C ATOM 46 C VAL A 4 8.472 -5.862 1.954 1.00 0.64 C ATOM 47 O VAL A 4 8.832 -6.238 3.050 1.00 0.59 O ATOM 48 CB VAL A 4 8.285 -3.394 1.917 1.00 1.65 C ATOM 49 CG1 VAL A 4 9.031 -3.372 3.255 1.00 2.13 C ATOM 50 CG2 VAL A 4 9.284 -3.320 0.760 1.00 2.80 C ATOM 0 HA VAL A 4 7.008 -4.750 0.827 1.00 0.85 H new ATOM 0 HB VAL A 4 7.610 -2.539 1.876 1.00 1.65 H new ATOM 0 HG11 VAL A 4 9.595 -2.443 3.342 1.00 2.13 H new ATOM 0 HG12 VAL A 4 8.313 -3.439 4.073 1.00 2.13 H new ATOM 0 HG13 VAL A 4 9.716 -4.218 3.303 1.00 2.13 H new ATOM 0 HG21 VAL A 4 9.856 -2.395 0.832 1.00 2.80 H new ATOM 0 HG22 VAL A 4 9.963 -4.171 0.810 1.00 2.80 H new ATOM 0 HG23 VAL A 4 8.746 -3.341 -0.188 1.00 2.80 H new ATOM 60 N LEU A 5 8.934 -6.415 0.867 1.00 0.56 N ATOM 61 CA LEU A 5 9.922 -7.528 0.948 1.00 0.45 C ATOM 62 C LEU A 5 9.357 -8.727 1.721 1.00 0.49 C ATOM 63 O LEU A 5 8.579 -8.582 2.644 1.00 0.47 O ATOM 64 CB LEU A 5 11.174 -7.015 1.653 1.00 0.31 C ATOM 65 CG LEU A 5 11.367 -5.530 1.335 1.00 0.28 C ATOM 66 CD1 LEU A 5 12.720 -5.065 1.864 1.00 0.29 C ATOM 67 CD2 LEU A 5 11.314 -5.315 -0.178 1.00 0.29 C ATOM 0 H LEU A 5 8.668 -6.142 -0.079 1.00 0.56 H new ATOM 0 HA LEU A 5 10.155 -7.862 -0.063 1.00 0.45 H new ATOM 0 HB2 LEU A 5 11.082 -7.158 2.730 1.00 0.31 H new ATOM 0 HB3 LEU A 5 12.046 -7.584 1.329 1.00 0.31 H new ATOM 0 HG LEU A 5 10.572 -4.956 1.811 1.00 0.28 H new ATOM 0 HD11 LEU A 5 12.856 -4.008 1.637 1.00 0.29 H new ATOM 0 HD12 LEU A 5 12.759 -5.212 2.943 1.00 0.29 H new ATOM 0 HD13 LEU A 5 13.514 -5.643 1.390 1.00 0.29 H new ATOM 0 HD21 LEU A 5 11.452 -4.257 -0.400 1.00 0.29 H new ATOM 0 HD22 LEU A 5 12.106 -5.892 -0.655 1.00 0.29 H new ATOM 0 HD23 LEU A 5 10.346 -5.643 -0.558 1.00 0.29 H new ATOM 79 N GLU A 6 9.755 -9.914 1.336 1.00 0.54 N ATOM 80 CA GLU A 6 9.268 -11.154 2.022 1.00 0.58 C ATOM 81 C GLU A 6 10.425 -12.150 2.192 1.00 0.68 C ATOM 82 O GLU A 6 11.356 -12.170 1.415 1.00 0.72 O ATOM 83 CB GLU A 6 8.156 -11.797 1.190 1.00 0.58 C ATOM 84 CG GLU A 6 6.790 -11.411 1.760 1.00 2.42 C ATOM 85 CD GLU A 6 6.338 -12.475 2.763 1.00 3.34 C ATOM 86 OE1 GLU A 6 7.181 -13.235 3.209 1.00 4.59 O ATOM 87 OE2 GLU A 6 5.157 -12.511 3.066 1.00 3.20 O ATOM 0 H GLU A 6 10.404 -10.080 0.567 1.00 0.54 H new ATOM 0 HA GLU A 6 8.880 -10.888 3.005 1.00 0.58 H new ATOM 0 HB2 GLU A 6 8.232 -11.472 0.152 1.00 0.58 H new ATOM 0 HB3 GLU A 6 8.268 -12.881 1.193 1.00 0.58 H new ATOM 0 HG2 GLU A 6 6.849 -10.438 2.247 1.00 2.42 H new ATOM 0 HG3 GLU A 6 6.060 -11.321 0.955 1.00 2.42 H new ATOM 94 N ASN A 7 10.373 -12.980 3.203 1.00 0.74 N ATOM 95 CA ASN A 7 11.467 -13.967 3.420 1.00 0.92 C ATOM 96 C ASN A 7 11.079 -15.312 2.801 1.00 0.64 C ATOM 97 O ASN A 7 10.456 -16.152 3.421 1.00 0.51 O ATOM 98 CB ASN A 7 11.716 -14.149 4.914 1.00 1.20 C ATOM 99 CG ASN A 7 10.489 -14.786 5.569 1.00 1.14 C ATOM 100 OD1 ASN A 7 9.377 -14.598 5.117 1.00 1.19 O ATOM 101 ND2 ASN A 7 10.643 -15.537 6.625 1.00 1.59 N ATOM 0 H ASN A 7 9.617 -13.015 3.887 1.00 0.74 H new ATOM 0 HA ASN A 7 12.377 -13.597 2.947 1.00 0.92 H new ATOM 0 HB2 ASN A 7 12.592 -14.778 5.072 1.00 1.20 H new ATOM 0 HB3 ASN A 7 11.928 -13.185 5.377 1.00 1.20 H new ATOM 0 HD21 ASN A 7 9.831 -15.965 7.069 1.00 1.59 H new ATOM 0 HD22 ASN A 7 11.576 -15.696 7.006 1.00 1.59 H new ATOM 108 N ARG A 8 11.419 -15.494 1.570 1.00 0.62 N ATOM 109 CA ARG A 8 11.058 -16.754 0.853 1.00 0.45 C ATOM 110 C ARG A 8 11.953 -17.954 1.215 1.00 0.44 C ATOM 111 O ARG A 8 11.483 -19.058 1.344 1.00 0.38 O ATOM 112 CB ARG A 8 11.221 -16.518 -0.645 1.00 0.58 C ATOM 113 CG ARG A 8 10.904 -17.817 -1.391 1.00 0.55 C ATOM 114 CD ARG A 8 9.823 -17.559 -2.443 1.00 0.62 C ATOM 115 NE ARG A 8 10.307 -18.015 -3.779 1.00 1.01 N ATOM 116 CZ ARG A 8 10.364 -19.292 -4.056 1.00 2.13 C ATOM 117 NH1 ARG A 8 9.329 -19.898 -4.575 1.00 3.69 N ATOM 118 NH2 ARG A 8 11.459 -19.961 -3.822 1.00 2.60 N ATOM 0 H ARG A 8 11.941 -14.819 1.011 1.00 0.62 H new ATOM 0 HA ARG A 8 10.036 -16.995 1.147 1.00 0.45 H new ATOM 0 HB2 ARG A 8 10.554 -15.722 -0.976 1.00 0.58 H new ATOM 0 HB3 ARG A 8 12.238 -16.195 -0.867 1.00 0.58 H new ATOM 0 HG2 ARG A 8 11.805 -18.202 -1.869 1.00 0.55 H new ATOM 0 HG3 ARG A 8 10.566 -18.578 -0.688 1.00 0.55 H new ATOM 0 HD2 ARG A 8 8.908 -18.088 -2.176 1.00 0.62 H new ATOM 0 HD3 ARG A 8 9.579 -16.497 -2.476 1.00 0.62 H new ATOM 0 HE ARG A 8 10.594 -17.329 -4.478 1.00 1.01 H new ATOM 0 HH11 ARG A 8 8.474 -19.375 -4.765 1.00 3.69 H new ATOM 0 HH12 ARG A 8 9.376 -20.894 -4.790 1.00 3.69 H new ATOM 0 HH21 ARG A 8 12.270 -19.488 -3.423 1.00 2.60 H new ATOM 0 HH22 ARG A 8 11.504 -20.957 -4.038 1.00 2.60 H new ATOM 132 N ARG A 9 13.239 -17.768 1.287 1.00 0.62 N ATOM 133 CA ARG A 9 14.162 -18.929 1.525 1.00 0.70 C ATOM 134 C ARG A 9 13.949 -19.651 2.862 1.00 0.38 C ATOM 135 O ARG A 9 14.273 -20.813 2.981 1.00 0.37 O ATOM 136 CB ARG A 9 15.606 -18.427 1.480 1.00 0.99 C ATOM 137 CG ARG A 9 16.251 -18.816 0.151 1.00 1.90 C ATOM 138 CD ARG A 9 16.686 -20.283 0.189 1.00 3.44 C ATOM 139 NE ARG A 9 17.599 -20.556 -0.957 1.00 3.55 N ATOM 140 CZ ARG A 9 18.232 -21.693 -1.036 1.00 4.33 C ATOM 141 NH1 ARG A 9 19.064 -22.046 -0.093 1.00 4.36 N ATOM 142 NH2 ARG A 9 18.034 -22.481 -2.058 1.00 5.43 N ATOM 0 H ARG A 9 13.700 -16.863 1.192 1.00 0.62 H new ATOM 0 HA ARG A 9 13.943 -19.653 0.740 1.00 0.70 H new ATOM 0 HB2 ARG A 9 15.628 -17.344 1.601 1.00 0.99 H new ATOM 0 HB3 ARG A 9 16.174 -18.852 2.308 1.00 0.99 H new ATOM 0 HG2 ARG A 9 15.545 -18.658 -0.665 1.00 1.90 H new ATOM 0 HG3 ARG A 9 17.113 -18.178 -0.045 1.00 1.90 H new ATOM 0 HD2 ARG A 9 17.190 -20.500 1.130 1.00 3.44 H new ATOM 0 HD3 ARG A 9 15.814 -20.934 0.137 1.00 3.44 H new ATOM 0 HE ARG A 9 17.729 -19.851 -1.682 1.00 3.55 H new ATOM 0 HH11 ARG A 9 19.219 -21.432 0.706 1.00 4.36 H new ATOM 0 HH12 ARG A 9 19.559 -22.936 -0.156 1.00 4.36 H new ATOM 0 HH21 ARG A 9 17.384 -22.207 -2.795 1.00 5.43 H new ATOM 0 HH22 ARG A 9 18.529 -23.371 -2.120 1.00 5.43 H new ATOM 156 N ALA A 10 13.478 -18.992 3.876 1.00 0.37 N ATOM 157 CA ALA A 10 13.327 -19.678 5.185 1.00 0.37 C ATOM 158 C ALA A 10 11.949 -20.301 5.341 1.00 0.41 C ATOM 159 O ALA A 10 11.821 -21.446 5.727 1.00 0.55 O ATOM 160 CB ALA A 10 13.581 -18.671 6.318 1.00 0.67 C ATOM 0 H ALA A 10 13.192 -18.013 3.858 1.00 0.37 H new ATOM 0 HA ALA A 10 14.057 -20.486 5.232 1.00 0.37 H new ATOM 0 HB1 ALA A 10 13.471 -19.171 7.280 1.00 0.67 H new ATOM 0 HB2 ALA A 10 14.591 -18.271 6.230 1.00 0.67 H new ATOM 0 HB3 ALA A 10 12.861 -17.856 6.248 1.00 0.67 H new ATOM 166 N ARG A 11 10.917 -19.584 5.031 1.00 0.37 N ATOM 167 CA ARG A 11 9.568 -20.181 5.155 1.00 0.42 C ATOM 168 C ARG A 11 9.407 -21.190 4.033 1.00 0.42 C ATOM 169 O ARG A 11 8.697 -22.168 4.145 1.00 0.53 O ATOM 170 CB ARG A 11 8.501 -19.091 5.018 1.00 0.40 C ATOM 171 CG ARG A 11 7.949 -18.732 6.398 1.00 1.71 C ATOM 172 CD ARG A 11 6.564 -19.360 6.578 1.00 1.11 C ATOM 173 NE ARG A 11 5.608 -18.745 5.613 1.00 1.06 N ATOM 174 CZ ARG A 11 4.327 -18.976 5.726 1.00 1.31 C ATOM 175 NH1 ARG A 11 3.703 -18.664 6.828 1.00 2.23 N ATOM 176 NH2 ARG A 11 3.671 -19.517 4.736 1.00 1.31 N ATOM 0 H ARG A 11 10.946 -18.620 4.700 1.00 0.37 H new ATOM 0 HA ARG A 11 9.453 -20.660 6.127 1.00 0.42 H new ATOM 0 HB2 ARG A 11 8.929 -18.207 4.546 1.00 0.40 H new ATOM 0 HB3 ARG A 11 7.694 -19.438 4.372 1.00 0.40 H new ATOM 0 HG2 ARG A 11 8.625 -19.089 7.175 1.00 1.71 H new ATOM 0 HG3 ARG A 11 7.885 -17.649 6.504 1.00 1.71 H new ATOM 0 HD2 ARG A 11 6.618 -20.437 6.416 1.00 1.11 H new ATOM 0 HD3 ARG A 11 6.214 -19.208 7.599 1.00 1.11 H new ATOM 0 HE ARG A 11 5.954 -18.144 4.865 1.00 1.06 H new ATOM 0 HH11 ARG A 11 4.215 -18.240 7.601 1.00 2.23 H new ATOM 0 HH12 ARG A 11 2.703 -18.844 6.916 1.00 2.23 H new ATOM 0 HH21 ARG A 11 4.158 -19.760 3.873 1.00 1.31 H new ATOM 0 HH22 ARG A 11 2.671 -19.697 4.825 1.00 1.31 H new ATOM 190 N HIS A 12 10.058 -20.933 2.936 1.00 0.40 N ATOM 191 CA HIS A 12 9.950 -21.848 1.769 1.00 0.54 C ATOM 192 C HIS A 12 11.102 -22.850 1.720 1.00 0.54 C ATOM 193 O HIS A 12 10.945 -23.955 1.239 1.00 0.54 O ATOM 194 CB HIS A 12 9.949 -21.040 0.467 1.00 0.69 C ATOM 195 CG HIS A 12 8.985 -19.885 0.574 1.00 2.27 C ATOM 196 ND1 HIS A 12 8.144 -19.534 -0.470 1.00 1.95 N ATOM 197 CD2 HIS A 12 8.715 -18.996 1.588 1.00 4.88 C ATOM 198 CE1 HIS A 12 7.414 -18.477 -0.066 1.00 4.23 C ATOM 199 NE2 HIS A 12 7.723 -18.110 1.180 1.00 6.13 N ATOM 0 H HIS A 12 10.664 -20.124 2.797 1.00 0.40 H new ATOM 0 HA HIS A 12 9.016 -22.399 1.879 1.00 0.54 H new ATOM 0 HB2 HIS A 12 10.952 -20.668 0.260 1.00 0.69 H new ATOM 0 HB3 HIS A 12 9.668 -21.682 -0.368 1.00 0.69 H new ATOM 0 HD2 HIS A 12 9.199 -18.987 2.553 1.00 4.88 H new ATOM 0 HE1 HIS A 12 6.670 -17.986 -0.675 1.00 4.23 H new ATOM 0 HE2 HIS A 12 7.318 -17.344 1.718 1.00 6.13 H new ATOM 207 N ASP A 13 12.287 -22.452 2.111 1.00 0.52 N ATOM 208 CA ASP A 13 13.440 -23.384 1.955 1.00 0.52 C ATOM 209 C ASP A 13 14.069 -23.894 3.256 1.00 0.49 C ATOM 210 O ASP A 13 14.572 -25.000 3.270 1.00 0.47 O ATOM 211 CB ASP A 13 14.526 -22.683 1.142 1.00 0.52 C ATOM 212 CG ASP A 13 14.874 -23.533 -0.080 1.00 0.64 C ATOM 213 OD1 ASP A 13 15.210 -24.691 0.105 1.00 0.37 O ATOM 214 OD2 ASP A 13 14.798 -23.011 -1.180 1.00 1.03 O ATOM 0 H ASP A 13 12.501 -21.543 2.522 1.00 0.52 H new ATOM 0 HA ASP A 13 13.032 -24.266 1.461 1.00 0.52 H new ATOM 0 HB2 ASP A 13 14.181 -21.698 0.827 1.00 0.52 H new ATOM 0 HB3 ASP A 13 15.413 -22.529 1.756 1.00 0.52 H new ATOM 219 N TYR A 14 14.142 -23.152 4.332 1.00 0.47 N ATOM 220 CA TYR A 14 14.865 -23.780 5.489 1.00 0.42 C ATOM 221 C TYR A 14 14.289 -23.442 6.885 1.00 0.39 C ATOM 222 O TYR A 14 13.698 -22.405 7.111 1.00 0.38 O ATOM 223 CB TYR A 14 16.349 -23.372 5.416 1.00 0.35 C ATOM 224 CG TYR A 14 17.118 -24.293 6.322 1.00 0.28 C ATOM 225 CD1 TYR A 14 17.147 -23.998 7.672 1.00 0.33 C ATOM 226 CD2 TYR A 14 17.739 -25.468 5.839 1.00 0.17 C ATOM 227 CE1 TYR A 14 17.779 -24.872 8.564 1.00 0.27 C ATOM 228 CE2 TYR A 14 18.382 -26.331 6.735 1.00 0.11 C ATOM 229 CZ TYR A 14 18.391 -26.035 8.100 1.00 0.16 C ATOM 230 OH TYR A 14 18.984 -26.902 8.997 1.00 0.11 O ATOM 0 H TYR A 14 13.767 -22.213 4.463 1.00 0.47 H new ATOM 0 HA TYR A 14 14.734 -24.857 5.388 1.00 0.42 H new ATOM 0 HB2 TYR A 14 16.717 -23.446 4.393 1.00 0.35 H new ATOM 0 HB3 TYR A 14 16.477 -22.335 5.726 1.00 0.35 H new ATOM 0 HD1 TYR A 14 16.683 -23.094 8.038 1.00 0.33 H new ATOM 0 HD2 TYR A 14 17.718 -25.699 4.784 1.00 0.17 H new ATOM 0 HE1 TYR A 14 17.793 -24.644 9.619 1.00 0.27 H new ATOM 0 HE2 TYR A 14 18.870 -27.223 6.371 1.00 0.11 H new ATOM 0 HH TYR A 14 19.949 -26.938 8.828 1.00 0.11 H new ATOM 240 N GLU A 15 14.508 -24.353 7.829 1.00 0.38 N ATOM 241 CA GLU A 15 14.045 -24.181 9.255 1.00 0.36 C ATOM 242 C GLU A 15 15.091 -23.354 9.999 1.00 0.33 C ATOM 243 O GLU A 15 16.245 -23.583 9.892 1.00 0.31 O ATOM 244 CB GLU A 15 13.964 -25.554 9.912 1.00 0.37 C ATOM 245 CG GLU A 15 13.894 -25.388 11.430 1.00 0.34 C ATOM 246 CD GLU A 15 13.808 -26.765 12.093 1.00 0.53 C ATOM 247 OE1 GLU A 15 13.593 -27.730 11.380 1.00 0.72 O ATOM 248 OE2 GLU A 15 13.959 -26.829 13.302 1.00 2.06 O ATOM 0 H GLU A 15 15.002 -25.229 7.659 1.00 0.38 H new ATOM 0 HA GLU A 15 13.072 -23.691 9.283 1.00 0.36 H new ATOM 0 HB2 GLU A 15 13.085 -26.090 9.553 1.00 0.37 H new ATOM 0 HB3 GLU A 15 14.834 -26.151 9.640 1.00 0.37 H new ATOM 0 HG2 GLU A 15 14.774 -24.855 11.789 1.00 0.34 H new ATOM 0 HG3 GLU A 15 13.025 -24.788 11.701 1.00 0.34 H new ATOM 255 N ILE A 16 14.748 -22.365 10.720 1.00 0.41 N ATOM 256 CA ILE A 16 15.852 -21.573 11.317 1.00 0.47 C ATOM 257 C ILE A 16 16.341 -22.040 12.700 1.00 0.51 C ATOM 258 O ILE A 16 15.604 -22.163 13.659 1.00 0.56 O ATOM 259 CB ILE A 16 15.437 -20.132 11.280 1.00 0.60 C ATOM 260 CG1 ILE A 16 15.345 -19.764 9.787 1.00 0.53 C ATOM 261 CG2 ILE A 16 16.478 -19.285 11.999 1.00 0.67 C ATOM 262 CD1 ILE A 16 16.706 -19.952 9.112 1.00 0.32 C ATOM 0 H ILE A 16 13.796 -22.063 10.928 1.00 0.41 H new ATOM 0 HA ILE A 16 16.748 -21.731 10.716 1.00 0.47 H new ATOM 0 HB ILE A 16 14.484 -19.957 11.780 1.00 0.60 H new ATOM 0 HG12 ILE A 16 14.598 -20.388 9.296 1.00 0.53 H new ATOM 0 HG13 ILE A 16 15.017 -18.730 9.679 1.00 0.53 H new ATOM 0 HG21 ILE A 16 16.177 -18.238 11.972 1.00 0.67 H new ATOM 0 HG22 ILE A 16 16.561 -19.612 13.035 1.00 0.67 H new ATOM 0 HG23 ILE A 16 17.443 -19.398 11.505 1.00 0.67 H new ATOM 0 HD11 ILE A 16 16.628 -19.689 8.057 1.00 0.32 H new ATOM 0 HD12 ILE A 16 17.443 -19.309 9.593 1.00 0.32 H new ATOM 0 HD13 ILE A 16 17.017 -20.993 9.204 1.00 0.32 H new ATOM 274 N LEU A 17 17.629 -22.318 12.740 1.00 0.54 N ATOM 275 CA LEU A 17 18.350 -22.814 13.955 1.00 0.66 C ATOM 276 C LEU A 17 18.663 -21.634 14.938 1.00 0.78 C ATOM 277 O LEU A 17 18.555 -21.793 16.138 1.00 1.24 O ATOM 278 CB LEU A 17 19.595 -23.539 13.342 1.00 1.05 C ATOM 279 CG LEU A 17 20.809 -23.845 14.258 1.00 0.71 C ATOM 280 CD1 LEU A 17 22.105 -23.506 13.486 1.00 0.64 C ATOM 281 CD2 LEU A 17 20.797 -23.071 15.570 1.00 0.70 C ATOM 0 H LEU A 17 18.238 -22.213 11.929 1.00 0.54 H new ATOM 0 HA LEU A 17 17.785 -23.498 14.589 1.00 0.66 H new ATOM 0 HB2 LEU A 17 19.252 -24.485 12.922 1.00 1.05 H new ATOM 0 HB3 LEU A 17 19.954 -22.932 12.511 1.00 1.05 H new ATOM 0 HG LEU A 17 20.754 -24.902 14.519 1.00 0.71 H new ATOM 0 HD11 LEU A 17 22.969 -23.715 14.116 1.00 0.64 H new ATOM 0 HD12 LEU A 17 22.159 -24.113 12.582 1.00 0.64 H new ATOM 0 HD13 LEU A 17 22.101 -22.450 13.215 1.00 0.64 H new ATOM 0 HD21 LEU A 17 21.676 -23.337 16.157 1.00 0.70 H new ATOM 0 HD22 LEU A 17 20.810 -22.001 15.361 1.00 0.70 H new ATOM 0 HD23 LEU A 17 19.897 -23.320 16.131 1.00 0.70 H new ATOM 293 N GLU A 18 19.010 -20.453 14.464 1.00 0.49 N ATOM 294 CA GLU A 18 19.287 -19.296 15.404 1.00 0.55 C ATOM 295 C GLU A 18 18.639 -18.030 14.807 1.00 0.55 C ATOM 296 O GLU A 18 18.650 -17.837 13.623 1.00 0.56 O ATOM 297 CB GLU A 18 20.811 -19.115 15.611 1.00 0.58 C ATOM 298 CG GLU A 18 21.144 -19.474 17.063 1.00 1.36 C ATOM 299 CD GLU A 18 20.253 -18.657 18.002 1.00 0.75 C ATOM 300 OE1 GLU A 18 20.495 -17.466 18.130 1.00 1.94 O ATOM 301 OE2 GLU A 18 19.345 -19.233 18.577 1.00 1.93 O ATOM 0 H GLU A 18 19.114 -20.236 13.473 1.00 0.49 H new ATOM 0 HA GLU A 18 18.858 -19.492 16.387 1.00 0.55 H new ATOM 0 HB2 GLU A 18 21.366 -19.754 14.925 1.00 0.58 H new ATOM 0 HB3 GLU A 18 21.104 -18.087 15.397 1.00 0.58 H new ATOM 0 HG2 GLU A 18 20.989 -20.540 17.231 1.00 1.36 H new ATOM 0 HG3 GLU A 18 22.194 -19.268 17.269 1.00 1.36 H new ATOM 308 N THR A 19 18.012 -17.188 15.595 1.00 0.57 N ATOM 309 CA THR A 19 17.325 -15.998 14.985 1.00 0.57 C ATOM 310 C THR A 19 17.569 -14.689 15.759 1.00 0.51 C ATOM 311 O THR A 19 17.786 -14.687 16.956 1.00 0.43 O ATOM 312 CB THR A 19 15.819 -16.269 14.938 1.00 0.60 C ATOM 313 OG1 THR A 19 15.186 -15.606 16.023 1.00 0.23 O ATOM 314 CG2 THR A 19 15.563 -17.776 15.039 1.00 1.18 C ATOM 0 H THR A 19 17.945 -17.267 16.610 1.00 0.57 H new ATOM 0 HA THR A 19 17.744 -15.863 13.988 1.00 0.57 H new ATOM 0 HB THR A 19 15.413 -15.897 13.997 1.00 0.60 H new ATOM 0 HG1 THR A 19 14.222 -15.777 15.993 1.00 0.23 H new ATOM 0 HG21 THR A 19 14.490 -17.966 15.005 1.00 1.18 H new ATOM 0 HG22 THR A 19 16.048 -18.284 14.205 1.00 1.18 H new ATOM 0 HG23 THR A 19 15.969 -18.152 15.978 1.00 1.18 H new ATOM 322 N TYR A 20 17.443 -13.568 15.080 1.00 0.56 N ATOM 323 CA TYR A 20 17.561 -12.232 15.754 1.00 0.49 C ATOM 324 C TYR A 20 16.548 -11.295 15.152 1.00 0.60 C ATOM 325 O TYR A 20 16.078 -11.479 14.048 1.00 0.77 O ATOM 326 CB TYR A 20 18.987 -11.621 15.722 1.00 0.58 C ATOM 327 CG TYR A 20 19.485 -11.155 14.352 1.00 0.65 C ATOM 328 CD1 TYR A 20 18.672 -10.454 13.438 1.00 0.71 C ATOM 329 CD2 TYR A 20 20.816 -11.429 14.008 1.00 0.70 C ATOM 330 CE1 TYR A 20 19.199 -10.040 12.197 1.00 0.80 C ATOM 331 CE2 TYR A 20 21.336 -11.016 12.774 1.00 0.80 C ATOM 332 CZ TYR A 20 20.523 -10.326 11.869 1.00 0.84 C ATOM 333 OH TYR A 20 21.032 -9.922 10.651 1.00 0.96 O ATOM 0 H TYR A 20 17.262 -13.523 14.077 1.00 0.56 H new ATOM 0 HA TYR A 20 17.357 -12.386 16.814 1.00 0.49 H new ATOM 0 HB2 TYR A 20 19.012 -10.771 16.404 1.00 0.58 H new ATOM 0 HB3 TYR A 20 19.687 -12.361 16.109 1.00 0.58 H new ATOM 0 HD1 TYR A 20 17.645 -10.234 13.688 1.00 0.71 H new ATOM 0 HD2 TYR A 20 21.448 -11.964 14.702 1.00 0.70 H new ATOM 0 HE1 TYR A 20 18.575 -9.500 11.500 1.00 0.80 H new ATOM 0 HE2 TYR A 20 22.364 -11.230 12.522 1.00 0.80 H new ATOM 0 HH TYR A 20 21.608 -10.627 10.287 1.00 0.96 H new ATOM 343 N GLU A 21 16.170 -10.317 15.898 1.00 0.56 N ATOM 344 CA GLU A 21 15.147 -9.373 15.422 1.00 0.80 C ATOM 345 C GLU A 21 15.740 -7.967 15.352 1.00 0.77 C ATOM 346 O GLU A 21 16.268 -7.459 16.320 1.00 0.84 O ATOM 347 CB GLU A 21 14.013 -9.435 16.423 1.00 0.88 C ATOM 348 CG GLU A 21 12.693 -9.669 15.688 1.00 1.17 C ATOM 349 CD GLU A 21 11.638 -10.156 16.680 1.00 1.23 C ATOM 350 OE1 GLU A 21 12.003 -10.874 17.597 1.00 0.74 O ATOM 351 OE2 GLU A 21 10.484 -9.802 16.509 1.00 2.47 O ATOM 0 H GLU A 21 16.531 -10.127 16.833 1.00 0.56 H new ATOM 0 HA GLU A 21 14.791 -9.626 14.423 1.00 0.80 H new ATOM 0 HB2 GLU A 21 14.190 -10.238 17.139 1.00 0.88 H new ATOM 0 HB3 GLU A 21 13.965 -8.506 16.991 1.00 0.88 H new ATOM 0 HG2 GLU A 21 12.361 -8.747 15.211 1.00 1.17 H new ATOM 0 HG3 GLU A 21 12.831 -10.405 14.896 1.00 1.17 H new ATOM 358 N ALA A 22 15.675 -7.340 14.209 1.00 0.68 N ATOM 359 CA ALA A 22 16.257 -5.977 14.086 1.00 0.63 C ATOM 360 C ALA A 22 15.150 -4.933 13.948 1.00 0.50 C ATOM 361 O ALA A 22 14.013 -5.239 13.646 1.00 0.48 O ATOM 362 CB ALA A 22 17.158 -5.918 12.851 1.00 0.63 C ATOM 0 H ALA A 22 15.247 -7.711 13.361 1.00 0.68 H new ATOM 0 HA ALA A 22 16.837 -5.763 14.983 1.00 0.63 H new ATOM 0 HB1 ALA A 22 17.585 -4.919 12.760 1.00 0.63 H new ATOM 0 HB2 ALA A 22 17.961 -6.648 12.951 1.00 0.63 H new ATOM 0 HB3 ALA A 22 16.571 -6.144 11.961 1.00 0.63 H new ATOM 368 N GLY A 23 15.497 -3.695 14.145 1.00 0.44 N ATOM 369 CA GLY A 23 14.513 -2.592 14.011 1.00 0.36 C ATOM 370 C GLY A 23 15.030 -1.664 12.923 1.00 0.31 C ATOM 371 O GLY A 23 15.928 -0.878 13.147 1.00 0.32 O ATOM 0 H GLY A 23 16.439 -3.397 14.398 1.00 0.44 H new ATOM 0 HA2 GLY A 23 13.529 -2.982 13.749 1.00 0.36 H new ATOM 0 HA3 GLY A 23 14.403 -2.057 14.954 1.00 0.36 H new ATOM 375 N ILE A 24 14.515 -1.776 11.733 1.00 0.28 N ATOM 376 CA ILE A 24 15.045 -0.916 10.631 1.00 0.24 C ATOM 377 C ILE A 24 14.135 0.297 10.458 1.00 0.22 C ATOM 378 O ILE A 24 12.978 0.178 10.132 1.00 0.21 O ATOM 379 CB ILE A 24 15.082 -1.723 9.334 1.00 0.23 C ATOM 380 CG1 ILE A 24 16.184 -2.780 9.398 1.00 0.25 C ATOM 381 CG2 ILE A 24 15.393 -0.781 8.180 1.00 0.19 C ATOM 382 CD1 ILE A 24 16.474 -3.110 10.851 1.00 0.30 C ATOM 0 H ILE A 24 13.762 -2.413 11.473 1.00 0.28 H new ATOM 0 HA ILE A 24 16.053 -0.580 10.876 1.00 0.24 H new ATOM 0 HB ILE A 24 14.117 -2.211 9.192 1.00 0.23 H new ATOM 0 HG12 ILE A 24 15.875 -3.678 8.863 1.00 0.25 H new ATOM 0 HG13 ILE A 24 17.086 -2.412 8.909 1.00 0.25 H new ATOM 0 HG21 ILE A 24 15.422 -1.345 7.248 1.00 0.19 H new ATOM 0 HG22 ILE A 24 14.620 -0.015 8.117 1.00 0.19 H new ATOM 0 HG23 ILE A 24 16.360 -0.307 8.348 1.00 0.19 H new ATOM 0 HD11 ILE A 24 17.260 -3.864 10.903 1.00 0.30 H new ATOM 0 HD12 ILE A 24 16.800 -2.209 11.371 1.00 0.30 H new ATOM 0 HD13 ILE A 24 15.570 -3.494 11.324 1.00 0.30 H new ATOM 394 N ALA A 25 14.645 1.469 10.689 1.00 0.23 N ATOM 395 CA ALA A 25 13.771 2.685 10.541 1.00 0.21 C ATOM 396 C ALA A 25 13.789 3.207 9.109 1.00 0.16 C ATOM 397 O ALA A 25 14.630 2.871 8.301 1.00 0.17 O ATOM 398 CB ALA A 25 14.177 3.798 11.478 1.00 0.22 C ATOM 0 H ALA A 25 15.609 1.648 10.969 1.00 0.23 H new ATOM 0 HA ALA A 25 12.761 2.367 10.800 1.00 0.21 H new ATOM 0 HB1 ALA A 25 13.517 4.654 11.334 1.00 0.22 H new ATOM 0 HB2 ALA A 25 14.102 3.451 12.509 1.00 0.22 H new ATOM 0 HB3 ALA A 25 15.205 4.093 11.268 1.00 0.22 H new ATOM 404 N LEU A 26 12.801 3.989 8.805 1.00 0.12 N ATOM 405 CA LEU A 26 12.612 4.544 7.447 1.00 0.06 C ATOM 406 C LEU A 26 12.616 6.068 7.477 1.00 0.10 C ATOM 407 O LEU A 26 12.277 6.676 8.472 1.00 0.21 O ATOM 408 CB LEU A 26 11.263 4.059 6.912 1.00 0.08 C ATOM 409 CG LEU A 26 10.334 3.698 8.088 1.00 0.08 C ATOM 410 CD1 LEU A 26 8.972 3.352 7.525 1.00 0.13 C ATOM 411 CD2 LEU A 26 10.858 2.484 8.885 1.00 0.10 C ATOM 0 H LEU A 26 12.086 4.278 9.473 1.00 0.12 H new ATOM 0 HA LEU A 26 13.429 4.210 6.808 1.00 0.06 H new ATOM 0 HB2 LEU A 26 10.804 4.835 6.299 1.00 0.08 H new ATOM 0 HB3 LEU A 26 11.407 3.190 6.270 1.00 0.08 H new ATOM 0 HG LEU A 26 10.288 4.552 8.764 1.00 0.08 H new ATOM 0 HD11 LEU A 26 8.296 3.093 8.340 1.00 0.13 H new ATOM 0 HD12 LEU A 26 8.574 4.210 6.983 1.00 0.13 H new ATOM 0 HD13 LEU A 26 9.064 2.504 6.846 1.00 0.13 H new ATOM 0 HD21 LEU A 26 10.174 2.264 9.704 1.00 0.10 H new ATOM 0 HD22 LEU A 26 10.926 1.618 8.226 1.00 0.10 H new ATOM 0 HD23 LEU A 26 11.845 2.712 9.288 1.00 0.10 H new ATOM 423 N LYS A 27 12.922 6.694 6.380 1.00 0.14 N ATOM 424 CA LYS A 27 12.852 8.175 6.360 1.00 0.24 C ATOM 425 C LYS A 27 11.366 8.522 6.203 1.00 0.44 C ATOM 426 O LYS A 27 10.525 7.646 6.226 1.00 0.42 O ATOM 427 CB LYS A 27 13.657 8.738 5.184 1.00 0.31 C ATOM 428 CG LYS A 27 14.470 9.946 5.657 1.00 0.26 C ATOM 429 CD LYS A 27 15.745 10.065 4.818 1.00 0.54 C ATOM 430 CE LYS A 27 16.922 9.443 5.576 1.00 1.70 C ATOM 431 NZ LYS A 27 17.369 8.207 4.875 1.00 1.98 N ATOM 0 H LYS A 27 13.213 6.252 5.508 1.00 0.14 H new ATOM 0 HA LYS A 27 13.272 8.605 7.269 1.00 0.24 H new ATOM 0 HB2 LYS A 27 14.322 7.972 4.784 1.00 0.31 H new ATOM 0 HB3 LYS A 27 12.986 9.031 4.377 1.00 0.31 H new ATOM 0 HG2 LYS A 27 13.876 10.855 5.566 1.00 0.26 H new ATOM 0 HG3 LYS A 27 14.725 9.836 6.711 1.00 0.26 H new ATOM 0 HD2 LYS A 27 15.610 9.562 3.861 1.00 0.54 H new ATOM 0 HD3 LYS A 27 15.953 11.113 4.601 1.00 0.54 H new ATOM 0 HE2 LYS A 27 17.745 10.155 5.639 1.00 1.70 H new ATOM 0 HE3 LYS A 27 16.626 9.207 6.598 1.00 1.70 H new ATOM 0 HZ1 LYS A 27 18.168 7.785 5.390 1.00 1.98 H new ATOM 0 HZ2 LYS A 27 16.584 7.526 4.837 1.00 1.98 H new ATOM 0 HZ3 LYS A 27 17.668 8.445 3.908 1.00 1.98 H new ATOM 445 N GLY A 28 11.010 9.767 6.100 1.00 0.62 N ATOM 446 CA GLY A 28 9.557 10.099 6.016 1.00 0.82 C ATOM 447 C GLY A 28 8.903 9.567 4.742 1.00 0.90 C ATOM 448 O GLY A 28 7.832 8.994 4.784 1.00 0.96 O ATOM 0 H GLY A 28 11.648 10.562 6.070 1.00 0.62 H new ATOM 0 HA2 GLY A 28 9.043 9.685 6.883 1.00 0.82 H new ATOM 0 HA3 GLY A 28 9.433 11.181 6.059 1.00 0.82 H new ATOM 452 N THR A 29 9.520 9.736 3.620 1.00 0.94 N ATOM 453 CA THR A 29 8.918 9.225 2.365 1.00 1.08 C ATOM 454 C THR A 29 9.372 7.806 2.153 1.00 0.94 C ATOM 455 O THR A 29 8.904 7.123 1.263 1.00 1.02 O ATOM 456 CB THR A 29 9.322 10.047 1.153 1.00 1.28 C ATOM 457 OG1 THR A 29 10.736 10.052 1.031 1.00 1.20 O ATOM 458 CG2 THR A 29 8.803 11.480 1.294 1.00 1.44 C ATOM 0 H THR A 29 10.418 10.207 3.513 1.00 0.94 H new ATOM 0 HA THR A 29 7.835 9.289 2.468 1.00 1.08 H new ATOM 0 HB THR A 29 8.886 9.603 0.258 1.00 1.28 H new ATOM 0 HG1 THR A 29 10.995 10.581 0.248 1.00 1.20 H new ATOM 0 HG21 THR A 29 9.098 12.061 0.420 1.00 1.44 H new ATOM 0 HG22 THR A 29 7.716 11.467 1.372 1.00 1.44 H new ATOM 0 HG23 THR A 29 9.225 11.933 2.191 1.00 1.44 H new ATOM 466 N GLU A 30 10.292 7.343 2.942 1.00 0.74 N ATOM 467 CA GLU A 30 10.750 5.968 2.725 1.00 0.66 C ATOM 468 C GLU A 30 9.534 5.104 2.791 1.00 0.61 C ATOM 469 O GLU A 30 9.442 4.118 2.144 1.00 0.71 O ATOM 470 CB GLU A 30 11.744 5.562 3.803 1.00 0.48 C ATOM 471 CG GLU A 30 13.159 5.832 3.291 1.00 0.52 C ATOM 472 CD GLU A 30 14.114 4.771 3.844 1.00 0.55 C ATOM 473 OE1 GLU A 30 14.185 3.704 3.258 1.00 1.10 O ATOM 474 OE2 GLU A 30 14.755 5.045 4.844 1.00 1.27 O ATOM 0 H GLU A 30 10.734 7.850 3.709 1.00 0.74 H new ATOM 0 HA GLU A 30 11.255 5.869 1.764 1.00 0.66 H new ATOM 0 HB2 GLU A 30 11.560 6.124 4.718 1.00 0.48 H new ATOM 0 HB3 GLU A 30 11.626 4.507 4.048 1.00 0.48 H new ATOM 0 HG2 GLU A 30 13.172 5.815 2.201 1.00 0.52 H new ATOM 0 HG3 GLU A 30 13.485 6.826 3.599 1.00 0.52 H new ATOM 481 N VAL A 31 8.594 5.460 3.576 1.00 0.52 N ATOM 482 CA VAL A 31 7.404 4.587 3.670 1.00 0.51 C ATOM 483 C VAL A 31 6.674 4.385 2.334 1.00 0.61 C ATOM 484 O VAL A 31 6.132 3.324 2.114 1.00 0.62 O ATOM 485 CB VAL A 31 6.474 5.090 4.744 1.00 0.50 C ATOM 486 CG1 VAL A 31 5.034 4.712 4.398 1.00 0.59 C ATOM 487 CG2 VAL A 31 6.907 4.401 6.031 1.00 0.40 C ATOM 0 H VAL A 31 8.583 6.301 4.154 1.00 0.52 H new ATOM 0 HA VAL A 31 7.764 3.596 3.946 1.00 0.51 H new ATOM 0 HB VAL A 31 6.517 6.175 4.842 1.00 0.50 H new ATOM 0 HG11 VAL A 31 4.365 5.077 5.177 1.00 0.59 H new ATOM 0 HG12 VAL A 31 4.759 5.161 3.444 1.00 0.59 H new ATOM 0 HG13 VAL A 31 4.950 3.628 4.327 1.00 0.59 H new ATOM 0 HG21 VAL A 31 6.267 4.727 6.851 1.00 0.40 H new ATOM 0 HG22 VAL A 31 6.823 3.321 5.912 1.00 0.40 H new ATOM 0 HG23 VAL A 31 7.942 4.662 6.253 1.00 0.40 H new ATOM 497 N LYS A 32 6.608 5.322 1.417 1.00 0.71 N ATOM 498 CA LYS A 32 5.866 4.944 0.170 1.00 0.82 C ATOM 499 C LYS A 32 6.682 3.921 -0.605 1.00 0.83 C ATOM 500 O LYS A 32 6.193 2.891 -0.972 1.00 0.87 O ATOM 501 CB LYS A 32 5.641 6.123 -0.758 1.00 0.90 C ATOM 502 CG LYS A 32 4.522 7.014 -0.218 1.00 0.94 C ATOM 503 CD LYS A 32 4.986 8.470 -0.224 1.00 1.07 C ATOM 504 CE LYS A 32 5.670 8.791 1.105 1.00 0.36 C ATOM 505 NZ LYS A 32 5.185 10.107 1.609 1.00 0.96 N ATOM 0 H LYS A 32 7.002 6.262 1.464 1.00 0.71 H new ATOM 0 HA LYS A 32 4.899 4.554 0.487 1.00 0.82 H new ATOM 0 HB2 LYS A 32 6.561 6.700 -0.854 1.00 0.90 H new ATOM 0 HB3 LYS A 32 5.383 5.766 -1.755 1.00 0.90 H new ATOM 0 HG2 LYS A 32 3.627 6.903 -0.830 1.00 0.94 H new ATOM 0 HG3 LYS A 32 4.256 6.710 0.794 1.00 0.94 H new ATOM 0 HD2 LYS A 32 5.676 8.640 -1.051 1.00 1.07 H new ATOM 0 HD3 LYS A 32 4.135 9.134 -0.377 1.00 1.07 H new ATOM 0 HE2 LYS A 32 5.457 8.009 1.834 1.00 0.36 H new ATOM 0 HE3 LYS A 32 6.752 8.817 0.973 1.00 0.36 H new ATOM 0 HZ1 LYS A 32 5.650 10.325 2.513 1.00 0.96 H new ATOM 0 HZ2 LYS A 32 5.410 10.849 0.916 1.00 0.96 H new ATOM 0 HZ3 LYS A 32 4.155 10.067 1.750 1.00 0.96 H new ATOM 519 N SER A 33 7.926 4.222 -0.846 1.00 0.84 N ATOM 520 CA SER A 33 8.827 3.300 -1.600 1.00 0.89 C ATOM 521 C SER A 33 9.172 2.090 -0.744 1.00 0.76 C ATOM 522 O SER A 33 9.345 0.999 -1.230 1.00 0.76 O ATOM 523 CB SER A 33 10.111 4.038 -1.976 1.00 1.01 C ATOM 524 OG SER A 33 9.784 5.203 -2.719 1.00 1.16 O ATOM 0 H SER A 33 8.369 5.090 -0.545 1.00 0.84 H new ATOM 0 HA SER A 33 8.317 2.964 -2.503 1.00 0.89 H new ATOM 0 HB2 SER A 33 10.664 4.310 -1.077 1.00 1.01 H new ATOM 0 HB3 SER A 33 10.759 3.388 -2.564 1.00 1.01 H new ATOM 0 HG SER A 33 10.606 5.679 -2.960 1.00 1.16 H new ATOM 530 N LEU A 34 9.304 2.300 0.526 1.00 0.69 N ATOM 531 CA LEU A 34 9.664 1.190 1.448 1.00 0.63 C ATOM 532 C LEU A 34 8.478 0.246 1.525 1.00 0.48 C ATOM 533 O LEU A 34 8.602 -0.926 1.276 1.00 0.47 O ATOM 534 CB LEU A 34 10.030 1.736 2.843 1.00 0.67 C ATOM 535 CG LEU A 34 11.161 0.888 3.405 1.00 0.72 C ATOM 536 CD1 LEU A 34 10.740 -0.579 3.397 1.00 0.92 C ATOM 537 CD2 LEU A 34 12.411 1.065 2.540 1.00 0.71 C ATOM 0 H LEU A 34 9.177 3.206 0.976 1.00 0.69 H new ATOM 0 HA LEU A 34 10.539 0.658 1.075 1.00 0.63 H new ATOM 0 HB2 LEU A 34 10.336 2.780 2.774 1.00 0.67 H new ATOM 0 HB3 LEU A 34 9.164 1.701 3.504 1.00 0.67 H new ATOM 0 HG LEU A 34 11.381 1.201 4.426 1.00 0.72 H new ATOM 0 HD11 LEU A 34 11.547 -1.191 3.799 1.00 0.92 H new ATOM 0 HD12 LEU A 34 9.848 -0.705 4.011 1.00 0.92 H new ATOM 0 HD13 LEU A 34 10.523 -0.890 2.375 1.00 0.92 H new ATOM 0 HD21 LEU A 34 13.221 0.457 2.943 1.00 0.71 H new ATOM 0 HD22 LEU A 34 12.195 0.750 1.519 1.00 0.71 H new ATOM 0 HD23 LEU A 34 12.709 2.114 2.541 1.00 0.71 H new ATOM 549 N ARG A 35 7.319 0.758 1.802 1.00 0.40 N ATOM 550 CA ARG A 35 6.116 -0.110 1.814 1.00 0.24 C ATOM 551 C ARG A 35 5.838 -0.496 0.362 1.00 0.19 C ATOM 552 O ARG A 35 5.232 -1.507 0.069 1.00 0.10 O ATOM 553 CB ARG A 35 4.921 0.648 2.393 1.00 0.26 C ATOM 554 CG ARG A 35 3.749 -0.319 2.573 1.00 0.35 C ATOM 555 CD ARG A 35 2.665 0.341 3.423 1.00 0.46 C ATOM 556 NE ARG A 35 1.406 0.436 2.633 1.00 0.82 N ATOM 557 CZ ARG A 35 1.346 1.222 1.592 1.00 1.96 C ATOM 558 NH1 ARG A 35 1.952 2.378 1.607 1.00 3.76 N ATOM 559 NH2 ARG A 35 0.676 0.852 0.535 1.00 1.63 N ATOM 0 H ARG A 35 7.151 1.740 2.021 1.00 0.40 H new ATOM 0 HA ARG A 35 6.279 -0.993 2.432 1.00 0.24 H new ATOM 0 HB2 ARG A 35 5.189 1.096 3.350 1.00 0.26 H new ATOM 0 HB3 ARG A 35 4.636 1.463 1.728 1.00 0.26 H new ATOM 0 HG2 ARG A 35 3.343 -0.599 1.601 1.00 0.35 H new ATOM 0 HG3 ARG A 35 4.092 -1.237 3.051 1.00 0.35 H new ATOM 0 HD2 ARG A 35 2.495 -0.239 4.330 1.00 0.46 H new ATOM 0 HD3 ARG A 35 2.987 1.334 3.736 1.00 0.46 H new ATOM 0 HE ARG A 35 0.591 -0.113 2.905 1.00 0.82 H new ATOM 0 HH11 ARG A 35 2.474 2.669 2.433 1.00 3.76 H new ATOM 0 HH12 ARG A 35 1.903 2.990 0.792 1.00 3.76 H new ATOM 0 HH21 ARG A 35 0.200 -0.050 0.523 1.00 1.63 H new ATOM 0 HH22 ARG A 35 0.628 1.465 -0.279 1.00 1.63 H new ATOM 573 N ALA A 36 6.321 0.312 -0.549 1.00 0.29 N ATOM 574 CA ALA A 36 6.145 0.027 -2.004 1.00 0.29 C ATOM 575 C ALA A 36 7.500 -0.454 -2.528 1.00 0.33 C ATOM 576 O ALA A 36 7.847 -0.241 -3.673 1.00 0.43 O ATOM 577 CB ALA A 36 5.718 1.309 -2.749 1.00 0.31 C ATOM 0 H ALA A 36 6.836 1.168 -0.342 1.00 0.29 H new ATOM 0 HA ALA A 36 5.372 -0.725 -2.163 1.00 0.29 H new ATOM 0 HB1 ALA A 36 5.593 1.089 -3.809 1.00 0.31 H new ATOM 0 HB2 ALA A 36 4.775 1.671 -2.339 1.00 0.31 H new ATOM 0 HB3 ALA A 36 6.484 2.074 -2.625 1.00 0.31 H new ATOM 583 N GLY A 37 8.307 -1.029 -1.664 1.00 0.31 N ATOM 584 CA GLY A 37 9.679 -1.432 -2.087 1.00 0.40 C ATOM 585 C GLY A 37 9.788 -2.919 -2.407 1.00 0.36 C ATOM 586 O GLY A 37 9.113 -3.755 -1.839 1.00 0.30 O ATOM 0 H GLY A 37 8.073 -1.233 -0.693 1.00 0.31 H new ATOM 0 HA2 GLY A 37 9.967 -0.854 -2.965 1.00 0.40 H new ATOM 0 HA3 GLY A 37 10.386 -1.183 -1.295 1.00 0.40 H new ATOM 590 N LYS A 38 10.671 -3.235 -3.318 1.00 0.48 N ATOM 591 CA LYS A 38 10.906 -4.650 -3.712 1.00 0.52 C ATOM 592 C LYS A 38 12.373 -4.999 -3.440 1.00 0.48 C ATOM 593 O LYS A 38 13.262 -4.314 -3.891 1.00 0.75 O ATOM 594 CB LYS A 38 10.625 -4.805 -5.206 1.00 0.76 C ATOM 595 CG LYS A 38 9.569 -5.887 -5.421 1.00 1.15 C ATOM 596 CD LYS A 38 8.289 -5.239 -5.947 1.00 1.78 C ATOM 597 CE LYS A 38 7.074 -5.971 -5.380 1.00 2.80 C ATOM 598 NZ LYS A 38 5.920 -5.032 -5.315 1.00 3.77 N ATOM 0 H LYS A 38 11.249 -2.556 -3.813 1.00 0.48 H new ATOM 0 HA LYS A 38 10.252 -5.311 -3.143 1.00 0.52 H new ATOM 0 HB2 LYS A 38 10.279 -3.858 -5.621 1.00 0.76 H new ATOM 0 HB3 LYS A 38 11.542 -5.068 -5.733 1.00 0.76 H new ATOM 0 HG2 LYS A 38 9.932 -6.631 -6.130 1.00 1.15 H new ATOM 0 HG3 LYS A 38 9.369 -6.409 -4.485 1.00 1.15 H new ATOM 0 HD2 LYS A 38 8.258 -4.187 -5.662 1.00 1.78 H new ATOM 0 HD3 LYS A 38 8.272 -5.275 -7.036 1.00 1.78 H new ATOM 0 HE2 LYS A 38 6.826 -6.827 -6.007 1.00 2.80 H new ATOM 0 HE3 LYS A 38 7.299 -6.358 -4.386 1.00 2.80 H new ATOM 0 HZ1 LYS A 38 5.091 -5.527 -4.929 1.00 3.77 H new ATOM 0 HZ2 LYS A 38 6.160 -4.229 -4.700 1.00 3.77 H new ATOM 0 HZ3 LYS A 38 5.702 -4.684 -6.270 1.00 3.77 H new ATOM 612 N VAL A 39 12.639 -6.058 -2.724 1.00 0.31 N ATOM 613 CA VAL A 39 14.061 -6.441 -2.455 1.00 0.27 C ATOM 614 C VAL A 39 14.207 -7.934 -2.680 1.00 0.25 C ATOM 615 O VAL A 39 13.254 -8.677 -2.568 1.00 0.27 O ATOM 616 CB VAL A 39 14.441 -6.140 -1.000 1.00 0.31 C ATOM 617 CG1 VAL A 39 13.880 -7.234 -0.088 1.00 0.32 C ATOM 618 CG2 VAL A 39 15.966 -6.121 -0.851 1.00 0.52 C ATOM 0 H VAL A 39 11.938 -6.675 -2.314 1.00 0.31 H new ATOM 0 HA VAL A 39 14.710 -5.871 -3.120 1.00 0.27 H new ATOM 0 HB VAL A 39 14.029 -5.169 -0.724 1.00 0.31 H new ATOM 0 HG11 VAL A 39 14.150 -7.020 0.946 1.00 0.32 H new ATOM 0 HG12 VAL A 39 12.794 -7.264 -0.181 1.00 0.32 H new ATOM 0 HG13 VAL A 39 14.295 -8.199 -0.379 1.00 0.32 H new ATOM 0 HG21 VAL A 39 16.228 -5.907 0.185 1.00 0.52 H new ATOM 0 HG22 VAL A 39 16.371 -7.092 -1.134 1.00 0.52 H new ATOM 0 HG23 VAL A 39 16.385 -5.350 -1.498 1.00 0.52 H new ATOM 628 N ASP A 40 15.384 -8.397 -2.975 1.00 0.24 N ATOM 629 CA ASP A 40 15.528 -9.857 -3.165 1.00 0.26 C ATOM 630 C ASP A 40 15.815 -10.482 -1.805 1.00 0.26 C ATOM 631 O ASP A 40 16.903 -10.358 -1.275 1.00 0.29 O ATOM 632 CB ASP A 40 16.691 -10.138 -4.119 1.00 0.32 C ATOM 633 CG ASP A 40 16.210 -9.990 -5.562 1.00 1.59 C ATOM 634 OD1 ASP A 40 15.007 -9.954 -5.763 1.00 1.88 O ATOM 635 OD2 ASP A 40 17.051 -9.915 -6.442 1.00 2.31 O ATOM 0 H ASP A 40 16.232 -7.843 -3.090 1.00 0.24 H new ATOM 0 HA ASP A 40 14.617 -10.278 -3.590 1.00 0.26 H new ATOM 0 HB2 ASP A 40 17.511 -9.446 -3.924 1.00 0.32 H new ATOM 0 HB3 ASP A 40 17.077 -11.144 -3.954 1.00 0.32 H new ATOM 640 N PHE A 41 14.862 -11.168 -1.234 1.00 0.24 N ATOM 641 CA PHE A 41 15.120 -11.801 0.083 1.00 0.27 C ATOM 642 C PHE A 41 15.443 -13.273 -0.167 1.00 0.31 C ATOM 643 O PHE A 41 14.593 -14.040 -0.570 1.00 0.30 O ATOM 644 CB PHE A 41 13.883 -11.665 0.993 1.00 0.23 C ATOM 645 CG PHE A 41 14.017 -10.478 1.948 1.00 0.16 C ATOM 646 CD1 PHE A 41 15.280 -9.978 2.308 1.00 0.84 C ATOM 647 CD2 PHE A 41 12.860 -9.874 2.482 1.00 0.80 C ATOM 648 CE1 PHE A 41 15.383 -8.892 3.188 1.00 0.91 C ATOM 649 CE2 PHE A 41 12.972 -8.792 3.359 1.00 0.71 C ATOM 650 CZ PHE A 41 14.230 -8.301 3.711 1.00 0.19 C ATOM 0 H PHE A 41 13.929 -11.314 -1.619 1.00 0.24 H new ATOM 0 HA PHE A 41 15.954 -11.312 0.586 1.00 0.27 H new ATOM 0 HB2 PHE A 41 12.991 -11.541 0.379 1.00 0.23 H new ATOM 0 HB3 PHE A 41 13.750 -12.582 1.567 1.00 0.23 H new ATOM 0 HD1 PHE A 41 16.174 -10.432 1.906 1.00 0.84 H new ATOM 0 HD2 PHE A 41 11.884 -10.249 2.212 1.00 0.80 H new ATOM 0 HE1 PHE A 41 16.356 -8.511 3.462 1.00 0.91 H new ATOM 0 HE2 PHE A 41 12.082 -8.334 3.766 1.00 0.71 H new ATOM 0 HZ PHE A 41 14.312 -7.464 4.388 1.00 0.19 H new ATOM 660 N THR A 42 16.679 -13.637 0.064 1.00 0.35 N ATOM 661 CA THR A 42 17.166 -15.027 -0.153 1.00 0.39 C ATOM 662 C THR A 42 18.635 -14.933 -0.568 1.00 0.26 C ATOM 663 O THR A 42 19.050 -13.939 -1.129 1.00 0.30 O ATOM 664 CB THR A 42 16.340 -15.696 -1.240 1.00 0.62 C ATOM 665 OG1 THR A 42 16.941 -16.920 -1.644 1.00 0.86 O ATOM 666 CG2 THR A 42 16.255 -14.749 -2.421 1.00 0.61 C ATOM 0 H THR A 42 17.396 -12.998 0.408 1.00 0.35 H new ATOM 0 HA THR A 42 17.069 -15.625 0.753 1.00 0.39 H new ATOM 0 HB THR A 42 15.344 -15.919 -0.859 1.00 0.62 H new ATOM 0 HG1 THR A 42 16.395 -17.338 -2.343 1.00 0.86 H new ATOM 0 HG21 THR A 42 15.666 -15.209 -3.214 1.00 0.61 H new ATOM 0 HG22 THR A 42 15.780 -13.819 -2.108 1.00 0.61 H new ATOM 0 HG23 THR A 42 17.258 -14.537 -2.790 1.00 0.61 H new ATOM 674 N GLY A 43 19.444 -15.921 -0.265 1.00 0.19 N ATOM 675 CA GLY A 43 20.888 -15.794 -0.615 1.00 0.29 C ATOM 676 C GLY A 43 21.309 -14.418 -0.116 1.00 0.31 C ATOM 677 O GLY A 43 22.153 -13.750 -0.677 1.00 0.47 O ATOM 0 H GLY A 43 19.173 -16.788 0.198 1.00 0.19 H new ATOM 0 HA2 GLY A 43 21.477 -16.580 -0.142 1.00 0.29 H new ATOM 0 HA3 GLY A 43 21.040 -15.885 -1.690 1.00 0.29 H new ATOM 681 N SER A 44 20.656 -13.991 0.927 1.00 0.20 N ATOM 682 CA SER A 44 20.898 -12.653 1.507 1.00 0.31 C ATOM 683 C SER A 44 21.925 -12.752 2.646 1.00 0.25 C ATOM 684 O SER A 44 22.233 -13.831 3.114 1.00 0.19 O ATOM 685 CB SER A 44 19.549 -12.162 2.028 1.00 0.41 C ATOM 686 OG SER A 44 19.642 -11.885 3.415 1.00 0.44 O ATOM 0 H SER A 44 19.943 -14.536 1.412 1.00 0.20 H new ATOM 0 HA SER A 44 21.303 -11.960 0.769 1.00 0.31 H new ATOM 0 HB2 SER A 44 19.245 -11.265 1.488 1.00 0.41 H new ATOM 0 HB3 SER A 44 18.783 -12.917 1.849 1.00 0.41 H new ATOM 0 HG SER A 44 18.752 -11.677 3.767 1.00 0.44 H new ATOM 692 N PHE A 45 22.469 -11.645 3.097 1.00 0.29 N ATOM 693 CA PHE A 45 23.475 -11.716 4.196 1.00 0.23 C ATOM 694 C PHE A 45 23.376 -10.488 5.071 1.00 0.27 C ATOM 695 O PHE A 45 22.909 -9.456 4.662 1.00 0.36 O ATOM 696 CB PHE A 45 24.895 -11.772 3.632 1.00 0.19 C ATOM 697 CG PHE A 45 25.056 -13.010 2.804 1.00 0.21 C ATOM 698 CD1 PHE A 45 24.866 -14.264 3.381 1.00 0.99 C ATOM 699 CD2 PHE A 45 25.375 -12.900 1.455 1.00 1.00 C ATOM 700 CE1 PHE A 45 25.003 -15.413 2.603 1.00 1.02 C ATOM 701 CE2 PHE A 45 25.506 -14.038 0.672 1.00 1.01 C ATOM 702 CZ PHE A 45 25.323 -15.304 1.243 1.00 0.37 C ATOM 0 H PHE A 45 22.260 -10.707 2.754 1.00 0.29 H new ATOM 0 HA PHE A 45 23.268 -12.618 4.773 1.00 0.23 H new ATOM 0 HB2 PHE A 45 25.092 -10.888 3.025 1.00 0.19 H new ATOM 0 HB3 PHE A 45 25.621 -11.769 4.445 1.00 0.19 H new ATOM 0 HD1 PHE A 45 24.613 -14.346 4.428 1.00 0.99 H new ATOM 0 HD2 PHE A 45 25.521 -11.925 1.015 1.00 1.00 H new ATOM 0 HE1 PHE A 45 24.863 -16.387 3.048 1.00 1.02 H new ATOM 0 HE2 PHE A 45 25.749 -13.948 -0.376 1.00 1.01 H new ATOM 0 HZ PHE A 45 25.428 -16.192 0.638 1.00 0.37 H new ATOM 712 N ALA A 46 23.833 -10.609 6.271 1.00 0.27 N ATOM 713 CA ALA A 46 23.831 -9.472 7.217 1.00 0.32 C ATOM 714 C ALA A 46 25.155 -9.548 7.980 1.00 0.35 C ATOM 715 O ALA A 46 25.684 -10.625 8.183 1.00 0.35 O ATOM 716 CB ALA A 46 22.633 -9.568 8.158 1.00 0.28 C ATOM 0 H ALA A 46 24.220 -11.473 6.650 1.00 0.27 H new ATOM 0 HA ALA A 46 23.742 -8.516 6.701 1.00 0.32 H new ATOM 0 HB1 ALA A 46 22.644 -8.725 8.849 1.00 0.28 H new ATOM 0 HB2 ALA A 46 21.711 -9.548 7.577 1.00 0.28 H new ATOM 0 HB3 ALA A 46 22.687 -10.499 8.722 1.00 0.28 H new ATOM 722 N ARG A 47 25.733 -8.453 8.379 1.00 0.40 N ATOM 723 CA ARG A 47 27.042 -8.564 9.081 1.00 0.45 C ATOM 724 C ARG A 47 26.855 -8.209 10.550 1.00 0.43 C ATOM 725 O ARG A 47 25.972 -7.456 10.913 1.00 0.42 O ATOM 726 CB ARG A 47 28.049 -7.615 8.431 1.00 0.54 C ATOM 727 CG ARG A 47 28.553 -6.600 9.460 1.00 0.48 C ATOM 728 CD ARG A 47 29.584 -5.691 8.790 1.00 0.68 C ATOM 729 NE ARG A 47 30.766 -5.527 9.677 1.00 0.43 N ATOM 730 CZ ARG A 47 31.520 -4.469 9.560 1.00 1.10 C ATOM 731 NH1 ARG A 47 32.490 -4.453 8.689 1.00 0.89 N ATOM 732 NH2 ARG A 47 31.300 -3.425 10.312 1.00 2.90 N ATOM 0 H ARG A 47 25.369 -7.508 8.255 1.00 0.40 H new ATOM 0 HA ARG A 47 27.419 -9.584 9.006 1.00 0.45 H new ATOM 0 HB2 ARG A 47 28.887 -8.183 8.027 1.00 0.54 H new ATOM 0 HB3 ARG A 47 27.583 -7.095 7.594 1.00 0.54 H new ATOM 0 HG2 ARG A 47 27.722 -6.009 9.845 1.00 0.48 H new ATOM 0 HG3 ARG A 47 29.000 -7.115 10.311 1.00 0.48 H new ATOM 0 HD2 ARG A 47 29.891 -6.117 7.835 1.00 0.68 H new ATOM 0 HD3 ARG A 47 29.140 -4.718 8.577 1.00 0.68 H new ATOM 0 HE ARG A 47 30.986 -6.239 10.374 1.00 0.43 H new ATOM 0 HH11 ARG A 47 32.659 -5.268 8.099 1.00 0.89 H new ATOM 0 HH12 ARG A 47 33.080 -3.626 8.597 1.00 0.89 H new ATOM 0 HH21 ARG A 47 30.539 -3.437 10.991 1.00 2.90 H new ATOM 0 HH22 ARG A 47 31.889 -2.598 10.221 1.00 2.90 H new ATOM 746 N PHE A 48 27.649 -8.796 11.405 1.00 0.45 N ATOM 747 CA PHE A 48 27.488 -8.552 12.851 1.00 0.42 C ATOM 748 C PHE A 48 28.667 -7.770 13.416 1.00 0.43 C ATOM 749 O PHE A 48 29.751 -8.275 13.626 1.00 0.49 O ATOM 750 CB PHE A 48 27.368 -9.892 13.581 1.00 0.48 C ATOM 751 CG PHE A 48 28.729 -10.537 13.693 1.00 0.65 C ATOM 752 CD1 PHE A 48 29.294 -11.168 12.580 1.00 0.78 C ATOM 753 CD2 PHE A 48 29.427 -10.500 14.907 1.00 0.71 C ATOM 754 CE1 PHE A 48 30.554 -11.766 12.679 1.00 0.94 C ATOM 755 CE2 PHE A 48 30.689 -11.098 15.006 1.00 0.89 C ATOM 756 CZ PHE A 48 31.253 -11.731 13.892 1.00 0.99 C ATOM 0 H PHE A 48 28.403 -9.435 11.154 1.00 0.45 H new ATOM 0 HA PHE A 48 26.585 -7.960 13.000 1.00 0.42 H new ATOM 0 HB2 PHE A 48 26.945 -9.739 14.574 1.00 0.48 H new ATOM 0 HB3 PHE A 48 26.687 -10.550 13.042 1.00 0.48 H new ATOM 0 HD1 PHE A 48 28.757 -11.193 11.643 1.00 0.78 H new ATOM 0 HD2 PHE A 48 28.992 -10.011 15.766 1.00 0.71 H new ATOM 0 HE1 PHE A 48 30.988 -12.255 11.820 1.00 0.94 H new ATOM 0 HE2 PHE A 48 31.227 -11.071 15.942 1.00 0.89 H new ATOM 0 HZ PHE A 48 32.227 -12.192 13.968 1.00 0.99 H new ATOM 766 N GLU A 49 28.430 -6.543 13.703 1.00 0.40 N ATOM 767 CA GLU A 49 29.481 -5.701 14.315 1.00 0.48 C ATOM 768 C GLU A 49 29.171 -5.611 15.812 1.00 0.53 C ATOM 769 O GLU A 49 29.469 -4.628 16.464 1.00 0.61 O ATOM 770 CB GLU A 49 29.444 -4.307 13.690 1.00 0.44 C ATOM 771 CG GLU A 49 30.840 -3.688 13.731 1.00 0.36 C ATOM 772 CD GLU A 49 30.732 -2.178 13.514 1.00 1.90 C ATOM 773 OE1 GLU A 49 30.030 -1.778 12.600 1.00 2.62 O ATOM 774 OE2 GLU A 49 31.353 -1.445 14.268 1.00 2.48 O ATOM 0 H GLU A 49 27.540 -6.072 13.540 1.00 0.40 H new ATOM 0 HA GLU A 49 30.471 -6.126 14.151 1.00 0.48 H new ATOM 0 HB2 GLU A 49 29.093 -4.369 12.660 1.00 0.44 H new ATOM 0 HB3 GLU A 49 28.739 -3.674 14.229 1.00 0.44 H new ATOM 0 HG2 GLU A 49 31.314 -3.896 14.690 1.00 0.36 H new ATOM 0 HG3 GLU A 49 31.470 -4.133 12.961 1.00 0.36 H new ATOM 781 N ASP A 50 28.547 -6.638 16.351 1.00 0.52 N ATOM 782 CA ASP A 50 28.179 -6.626 17.798 1.00 0.58 C ATOM 783 C ASP A 50 27.641 -5.237 18.136 1.00 0.58 C ATOM 784 O ASP A 50 28.057 -4.608 19.085 1.00 0.81 O ATOM 785 CB ASP A 50 29.418 -6.924 18.646 1.00 0.71 C ATOM 786 CG ASP A 50 29.545 -8.435 18.849 1.00 1.54 C ATOM 787 OD1 ASP A 50 28.810 -9.166 18.205 1.00 1.32 O ATOM 788 OD2 ASP A 50 30.375 -8.837 19.647 1.00 2.50 O ATOM 0 H ASP A 50 28.279 -7.482 15.845 1.00 0.52 H new ATOM 0 HA ASP A 50 27.424 -7.384 18.006 1.00 0.58 H new ATOM 0 HB2 ASP A 50 30.310 -6.536 18.155 1.00 0.71 H new ATOM 0 HB3 ASP A 50 29.341 -6.422 19.610 1.00 0.71 H new ATOM 793 N GLY A 51 26.727 -4.751 17.342 1.00 0.40 N ATOM 794 CA GLY A 51 26.157 -3.399 17.584 1.00 0.46 C ATOM 795 C GLY A 51 25.649 -2.830 16.260 1.00 0.40 C ATOM 796 O GLY A 51 24.815 -1.948 16.230 1.00 0.65 O ATOM 0 H GLY A 51 26.349 -5.238 16.530 1.00 0.40 H new ATOM 0 HA2 GLY A 51 25.343 -3.457 18.306 1.00 0.46 H new ATOM 0 HA3 GLY A 51 26.915 -2.742 18.011 1.00 0.46 H new ATOM 800 N GLU A 52 26.148 -3.332 15.161 1.00 0.28 N ATOM 801 CA GLU A 52 25.693 -2.821 13.837 1.00 0.58 C ATOM 802 C GLU A 52 25.375 -3.993 12.904 1.00 0.57 C ATOM 803 O GLU A 52 26.222 -4.812 12.608 1.00 0.67 O ATOM 804 CB GLU A 52 26.797 -1.965 13.213 1.00 0.75 C ATOM 805 CG GLU A 52 26.514 -0.485 13.481 1.00 0.87 C ATOM 806 CD GLU A 52 25.986 0.169 12.203 1.00 2.00 C ATOM 807 OE1 GLU A 52 25.306 -0.511 11.453 1.00 3.34 O ATOM 808 OE2 GLU A 52 26.276 1.336 11.995 1.00 2.47 O ATOM 0 H GLU A 52 26.849 -4.072 15.124 1.00 0.28 H new ATOM 0 HA GLU A 52 24.795 -2.220 13.978 1.00 0.58 H new ATOM 0 HB2 GLU A 52 27.765 -2.242 13.630 1.00 0.75 H new ATOM 0 HB3 GLU A 52 26.849 -2.147 12.140 1.00 0.75 H new ATOM 0 HG2 GLU A 52 25.784 -0.382 14.284 1.00 0.87 H new ATOM 0 HG3 GLU A 52 27.424 0.017 13.811 1.00 0.87 H new ATOM 815 N LEU A 53 24.169 -4.058 12.413 1.00 0.45 N ATOM 816 CA LEU A 53 23.798 -5.142 11.477 1.00 0.44 C ATOM 817 C LEU A 53 23.473 -4.502 10.136 1.00 0.28 C ATOM 818 O LEU A 53 22.405 -3.968 9.924 1.00 0.14 O ATOM 819 CB LEU A 53 22.578 -5.905 11.990 1.00 0.49 C ATOM 820 CG LEU A 53 22.306 -7.077 11.044 1.00 0.62 C ATOM 821 CD1 LEU A 53 23.102 -8.296 11.516 1.00 0.83 C ATOM 822 CD2 LEU A 53 20.807 -7.405 11.026 1.00 0.71 C ATOM 0 H LEU A 53 23.421 -3.398 12.625 1.00 0.45 H new ATOM 0 HA LEU A 53 24.622 -5.850 11.383 1.00 0.44 H new ATOM 0 HB2 LEU A 53 22.756 -6.268 13.002 1.00 0.49 H new ATOM 0 HB3 LEU A 53 21.711 -5.246 12.036 1.00 0.49 H new ATOM 0 HG LEU A 53 22.614 -6.807 10.034 1.00 0.62 H new ATOM 0 HD11 LEU A 53 22.913 -9.135 10.847 1.00 0.83 H new ATOM 0 HD12 LEU A 53 24.166 -8.060 11.511 1.00 0.83 H new ATOM 0 HD13 LEU A 53 22.794 -8.562 12.527 1.00 0.83 H new ATOM 0 HD21 LEU A 53 20.625 -8.240 10.350 1.00 0.71 H new ATOM 0 HD22 LEU A 53 20.481 -7.674 12.031 1.00 0.71 H new ATOM 0 HD23 LEU A 53 20.248 -6.534 10.685 1.00 0.71 H new ATOM 834 N TYR A 54 24.402 -4.532 9.248 1.00 0.32 N ATOM 835 CA TYR A 54 24.200 -3.898 7.915 1.00 0.27 C ATOM 836 C TYR A 54 23.597 -4.877 6.929 1.00 0.14 C ATOM 837 O TYR A 54 23.931 -6.044 6.922 1.00 0.13 O ATOM 838 CB TYR A 54 25.565 -3.521 7.341 1.00 0.42 C ATOM 839 CG TYR A 54 26.253 -2.550 8.268 1.00 0.35 C ATOM 840 CD1 TYR A 54 25.907 -1.193 8.236 1.00 0.25 C ATOM 841 CD2 TYR A 54 27.229 -3.002 9.160 1.00 0.47 C ATOM 842 CE1 TYR A 54 26.539 -0.290 9.095 1.00 0.16 C ATOM 843 CE2 TYR A 54 27.863 -2.098 10.021 1.00 0.44 C ATOM 844 CZ TYR A 54 27.517 -0.741 9.989 1.00 0.25 C ATOM 845 OH TYR A 54 28.142 0.150 10.836 1.00 0.25 O ATOM 0 H TYR A 54 25.312 -4.973 9.380 1.00 0.32 H new ATOM 0 HA TYR A 54 23.543 -3.039 8.052 1.00 0.27 H new ATOM 0 HB2 TYR A 54 26.177 -4.414 7.214 1.00 0.42 H new ATOM 0 HB3 TYR A 54 25.445 -3.074 6.354 1.00 0.42 H new ATOM 0 HD1 TYR A 54 25.152 -0.845 7.547 1.00 0.25 H new ATOM 0 HD2 TYR A 54 27.494 -4.049 9.185 1.00 0.47 H new ATOM 0 HE1 TYR A 54 26.273 0.756 9.069 1.00 0.16 H new ATOM 0 HE2 TYR A 54 28.618 -2.447 10.709 1.00 0.44 H new ATOM 0 HH TYR A 54 27.636 0.989 10.860 1.00 0.25 H new ATOM 855 N LEU A 55 22.789 -4.405 6.018 1.00 0.17 N ATOM 856 CA LEU A 55 22.308 -5.344 4.993 1.00 0.22 C ATOM 857 C LEU A 55 23.611 -5.705 4.282 1.00 0.19 C ATOM 858 O LEU A 55 24.368 -4.825 3.926 1.00 0.35 O ATOM 859 CB LEU A 55 21.399 -4.651 3.959 1.00 0.43 C ATOM 860 CG LEU A 55 19.904 -4.780 4.266 1.00 0.25 C ATOM 861 CD1 LEU A 55 19.108 -4.499 2.975 1.00 2.05 C ATOM 862 CD2 LEU A 55 19.572 -6.181 4.790 1.00 1.99 C ATOM 0 H LEU A 55 22.457 -3.443 5.947 1.00 0.17 H new ATOM 0 HA LEU A 55 21.736 -6.169 5.419 1.00 0.22 H new ATOM 0 HB2 LEU A 55 21.660 -3.594 3.910 1.00 0.43 H new ATOM 0 HB3 LEU A 55 21.596 -5.074 2.974 1.00 0.43 H new ATOM 0 HG LEU A 55 19.634 -4.060 5.039 1.00 0.25 H new ATOM 0 HD11 LEU A 55 18.041 -4.587 3.179 1.00 2.05 H new ATOM 0 HD12 LEU A 55 19.328 -3.491 2.624 1.00 2.05 H new ATOM 0 HD13 LEU A 55 19.392 -5.220 2.208 1.00 2.05 H new ATOM 0 HD21 LEU A 55 18.505 -6.247 5.001 1.00 1.99 H new ATOM 0 HD22 LEU A 55 19.840 -6.924 4.039 1.00 1.99 H new ATOM 0 HD23 LEU A 55 20.135 -6.370 5.704 1.00 1.99 H new ATOM 874 N GLU A 56 23.939 -6.932 4.098 1.00 0.43 N ATOM 875 CA GLU A 56 25.246 -7.204 3.451 1.00 0.41 C ATOM 876 C GLU A 56 25.030 -7.778 2.054 1.00 0.42 C ATOM 877 O GLU A 56 25.858 -7.634 1.176 1.00 0.83 O ATOM 878 CB GLU A 56 26.050 -8.139 4.349 1.00 0.41 C ATOM 879 CG GLU A 56 27.144 -8.826 3.528 1.00 0.39 C ATOM 880 CD GLU A 56 27.966 -9.735 4.441 1.00 1.22 C ATOM 881 OE1 GLU A 56 28.359 -9.277 5.501 1.00 1.48 O ATOM 882 OE2 GLU A 56 28.186 -10.875 4.066 1.00 1.86 O ATOM 0 H GLU A 56 23.383 -7.747 4.356 1.00 0.43 H new ATOM 0 HA GLU A 56 25.813 -6.282 3.326 1.00 0.41 H new ATOM 0 HB2 GLU A 56 26.496 -7.577 5.169 1.00 0.41 H new ATOM 0 HB3 GLU A 56 25.393 -8.886 4.795 1.00 0.41 H new ATOM 0 HG2 GLU A 56 26.698 -9.409 2.722 1.00 0.39 H new ATOM 0 HG3 GLU A 56 27.788 -8.080 3.063 1.00 0.39 H new ATOM 889 N ASN A 57 23.902 -8.377 1.824 1.00 0.26 N ATOM 890 CA ASN A 57 23.602 -8.902 0.466 1.00 0.27 C ATOM 891 C ASN A 57 22.123 -8.661 0.180 1.00 0.30 C ATOM 892 O ASN A 57 21.544 -9.224 -0.727 1.00 0.36 O ATOM 893 CB ASN A 57 23.941 -10.387 0.374 1.00 0.29 C ATOM 894 CG ASN A 57 24.969 -10.582 -0.740 1.00 0.38 C ATOM 895 OD1 ASN A 57 26.158 -10.597 -0.490 1.00 0.73 O ATOM 896 ND2 ASN A 57 24.559 -10.727 -1.971 1.00 0.78 N ATOM 0 H ASN A 57 23.171 -8.527 2.519 1.00 0.26 H new ATOM 0 HA ASN A 57 24.211 -8.386 -0.277 1.00 0.27 H new ATOM 0 HB2 ASN A 57 24.339 -10.744 1.324 1.00 0.29 H new ATOM 0 HB3 ASN A 57 23.043 -10.968 0.166 1.00 0.29 H new ATOM 0 HD21 ASN A 57 25.237 -10.853 -2.723 1.00 0.78 H new ATOM 0 HD22 ASN A 57 23.561 -10.714 -2.181 1.00 0.78 H new ATOM 903 N LEU A 58 21.519 -7.794 0.952 1.00 0.30 N ATOM 904 CA LEU A 58 20.089 -7.460 0.749 1.00 0.37 C ATOM 905 C LEU A 58 20.017 -6.249 -0.170 1.00 0.23 C ATOM 906 O LEU A 58 20.391 -5.154 0.200 1.00 0.38 O ATOM 907 CB LEU A 58 19.464 -7.118 2.097 1.00 0.59 C ATOM 908 CG LEU A 58 19.173 -8.407 2.860 1.00 0.94 C ATOM 909 CD1 LEU A 58 18.148 -9.234 2.085 1.00 1.51 C ATOM 910 CD2 LEU A 58 20.468 -9.206 3.017 1.00 3.21 C ATOM 0 H LEU A 58 21.968 -7.300 1.723 1.00 0.30 H new ATOM 0 HA LEU A 58 19.553 -8.300 0.308 1.00 0.37 H new ATOM 0 HB2 LEU A 58 20.139 -6.485 2.673 1.00 0.59 H new ATOM 0 HB3 LEU A 58 18.544 -6.553 1.951 1.00 0.59 H new ATOM 0 HG LEU A 58 18.774 -8.169 3.846 1.00 0.94 H new ATOM 0 HD11 LEU A 58 17.938 -10.156 2.628 1.00 1.51 H new ATOM 0 HD12 LEU A 58 17.227 -8.661 1.974 1.00 1.51 H new ATOM 0 HD13 LEU A 58 18.546 -9.476 1.100 1.00 1.51 H new ATOM 0 HD21 LEU A 58 20.263 -10.128 3.562 1.00 3.21 H new ATOM 0 HD22 LEU A 58 20.868 -9.448 2.032 1.00 3.21 H new ATOM 0 HD23 LEU A 58 21.197 -8.613 3.569 1.00 3.21 H new ATOM 922 N TYR A 59 19.578 -6.435 -1.375 1.00 0.21 N ATOM 923 CA TYR A 59 19.527 -5.294 -2.324 1.00 0.06 C ATOM 924 C TYR A 59 18.088 -4.849 -2.540 1.00 0.22 C ATOM 925 O TYR A 59 17.260 -5.598 -3.018 1.00 0.60 O ATOM 926 CB TYR A 59 20.124 -5.749 -3.645 1.00 0.15 C ATOM 927 CG TYR A 59 21.573 -6.123 -3.425 1.00 0.25 C ATOM 928 CD1 TYR A 59 22.214 -5.802 -2.212 1.00 0.28 C ATOM 929 CD2 TYR A 59 22.278 -6.789 -4.433 1.00 0.47 C ATOM 930 CE1 TYR A 59 23.558 -6.151 -2.021 1.00 0.39 C ATOM 931 CE2 TYR A 59 23.620 -7.136 -4.239 1.00 0.57 C ATOM 932 CZ TYR A 59 24.260 -6.818 -3.034 1.00 0.49 C ATOM 933 OH TYR A 59 25.582 -7.161 -2.844 1.00 0.62 O ATOM 0 H TYR A 59 19.251 -7.327 -1.747 1.00 0.21 H new ATOM 0 HA TYR A 59 20.090 -4.452 -1.920 1.00 0.06 H new ATOM 0 HB2 TYR A 59 19.569 -6.602 -4.035 1.00 0.15 H new ATOM 0 HB3 TYR A 59 20.048 -4.954 -4.387 1.00 0.15 H new ATOM 0 HD1 TYR A 59 21.671 -5.289 -1.432 1.00 0.28 H new ATOM 0 HD2 TYR A 59 21.786 -7.036 -5.362 1.00 0.47 H new ATOM 0 HE1 TYR A 59 24.053 -5.906 -1.093 1.00 0.39 H new ATOM 0 HE2 TYR A 59 24.163 -7.649 -5.019 1.00 0.57 H new ATOM 0 HH TYR A 59 25.919 -7.618 -3.642 1.00 0.62 H new ATOM 943 N ILE A 60 17.781 -3.630 -2.199 1.00 0.09 N ATOM 944 CA ILE A 60 16.399 -3.145 -2.393 1.00 0.26 C ATOM 945 C ILE A 60 16.263 -2.533 -3.788 1.00 0.34 C ATOM 946 O ILE A 60 16.755 -1.456 -4.053 1.00 0.21 O ATOM 947 CB ILE A 60 16.082 -2.077 -1.346 1.00 0.49 C ATOM 948 CG1 ILE A 60 16.412 -2.594 0.066 1.00 0.53 C ATOM 949 CG2 ILE A 60 14.592 -1.739 -1.424 1.00 0.65 C ATOM 950 CD1 ILE A 60 15.914 -1.575 1.095 1.00 2.98 C ATOM 0 H ILE A 60 18.430 -2.954 -1.796 1.00 0.09 H new ATOM 0 HA ILE A 60 15.706 -3.980 -2.289 1.00 0.26 H new ATOM 0 HB ILE A 60 16.684 -1.190 -1.544 1.00 0.49 H new ATOM 0 HG12 ILE A 60 15.939 -3.561 0.234 1.00 0.53 H new ATOM 0 HG13 ILE A 60 17.487 -2.742 0.172 1.00 0.53 H new ATOM 0 HG21 ILE A 60 14.352 -0.978 -0.682 1.00 0.65 H new ATOM 0 HG22 ILE A 60 14.356 -1.362 -2.419 1.00 0.65 H new ATOM 0 HG23 ILE A 60 14.005 -2.636 -1.227 1.00 0.65 H new ATOM 0 HD11 ILE A 60 16.142 -1.931 2.100 1.00 2.98 H new ATOM 0 HD12 ILE A 60 16.408 -0.618 0.928 1.00 2.98 H new ATOM 0 HD13 ILE A 60 14.836 -1.450 0.991 1.00 2.98 H new ATOM 962 N ALA A 61 15.581 -3.209 -4.675 1.00 0.78 N ATOM 963 CA ALA A 61 15.384 -2.662 -6.047 1.00 0.94 C ATOM 964 C ALA A 61 13.919 -2.226 -6.189 1.00 1.08 C ATOM 965 O ALA A 61 13.048 -3.048 -6.398 1.00 1.20 O ATOM 966 CB ALA A 61 15.690 -3.748 -7.083 1.00 1.03 C ATOM 0 H ALA A 61 15.151 -4.119 -4.506 1.00 0.78 H new ATOM 0 HA ALA A 61 16.050 -1.815 -6.210 1.00 0.94 H new ATOM 0 HB1 ALA A 61 15.545 -3.346 -8.086 1.00 1.03 H new ATOM 0 HB2 ALA A 61 16.723 -4.078 -6.970 1.00 1.03 H new ATOM 0 HB3 ALA A 61 15.020 -4.594 -6.932 1.00 1.03 H new ATOM 1243 N LYS A 78 21.821 -1.184 5.820 1.00 0.35 N ATOM 1244 CA LYS A 78 22.228 -0.683 7.164 1.00 0.37 C ATOM 1245 C LYS A 78 21.181 -1.067 8.217 1.00 0.28 C ATOM 1246 O LYS A 78 20.710 -0.221 8.950 1.00 0.47 O ATOM 1247 CB LYS A 78 22.355 0.846 7.132 1.00 0.76 C ATOM 1248 CG LYS A 78 22.752 1.352 8.521 1.00 1.13 C ATOM 1249 CD LYS A 78 23.939 2.311 8.391 1.00 0.82 C ATOM 1250 CE LYS A 78 23.467 3.756 8.584 1.00 0.54 C ATOM 1251 NZ LYS A 78 23.135 3.989 10.019 1.00 0.53 N ATOM 0 HA LYS A 78 23.186 -1.133 7.423 1.00 0.37 H new ATOM 0 HB2 LYS A 78 23.102 1.145 6.397 1.00 0.76 H new ATOM 0 HB3 LYS A 78 21.410 1.294 6.826 1.00 0.76 H new ATOM 0 HG2 LYS A 78 21.909 1.860 8.990 1.00 1.13 H new ATOM 0 HG3 LYS A 78 23.017 0.513 9.164 1.00 1.13 H new ATOM 0 HD2 LYS A 78 24.699 2.065 9.133 1.00 0.82 H new ATOM 0 HD3 LYS A 78 24.403 2.199 7.411 1.00 0.82 H new ATOM 0 HE2 LYS A 78 24.245 4.449 8.264 1.00 0.54 H new ATOM 0 HE3 LYS A 78 22.593 3.949 7.962 1.00 0.54 H new ATOM 0 HZ1 LYS A 78 23.179 5.008 10.225 1.00 0.53 H new ATOM 0 HZ2 LYS A 78 22.176 3.637 10.215 1.00 0.53 H new ATOM 0 HZ3 LYS A 78 23.818 3.485 10.620 1.00 0.53 H new ATOM 1265 N LEU A 79 20.806 -2.322 8.324 1.00 0.20 N ATOM 1266 CA LEU A 79 19.786 -2.673 9.372 1.00 0.26 C ATOM 1267 C LEU A 79 20.296 -2.233 10.749 1.00 0.23 C ATOM 1268 O LEU A 79 21.483 -2.151 10.989 1.00 0.26 O ATOM 1269 CB LEU A 79 19.565 -4.189 9.410 1.00 0.46 C ATOM 1270 CG LEU A 79 19.519 -4.760 7.999 1.00 0.62 C ATOM 1271 CD1 LEU A 79 20.582 -5.851 7.872 1.00 0.73 C ATOM 1272 CD2 LEU A 79 18.135 -5.363 7.746 1.00 0.70 C ATOM 0 H LEU A 79 21.147 -3.096 7.754 1.00 0.20 H new ATOM 0 HA LEU A 79 18.852 -2.168 9.128 1.00 0.26 H new ATOM 0 HB2 LEU A 79 20.367 -4.665 9.975 1.00 0.46 H new ATOM 0 HB3 LEU A 79 18.633 -4.413 9.929 1.00 0.46 H new ATOM 0 HG LEU A 79 19.711 -3.973 7.270 1.00 0.62 H new ATOM 0 HD11 LEU A 79 20.558 -6.267 6.865 1.00 0.73 H new ATOM 0 HD12 LEU A 79 21.566 -5.424 8.065 1.00 0.73 H new ATOM 0 HD13 LEU A 79 20.381 -6.641 8.596 1.00 0.73 H new ATOM 0 HD21 LEU A 79 18.096 -5.774 6.737 1.00 0.70 H new ATOM 0 HD22 LEU A 79 17.947 -6.157 8.468 1.00 0.70 H new ATOM 0 HD23 LEU A 79 17.376 -4.588 7.852 1.00 0.70 H new ATOM 1284 N LEU A 80 19.402 -1.964 11.658 1.00 0.23 N ATOM 1285 CA LEU A 80 19.827 -1.550 13.028 1.00 0.30 C ATOM 1286 C LEU A 80 19.502 -2.693 13.996 1.00 0.32 C ATOM 1287 O LEU A 80 18.370 -3.102 14.116 1.00 0.29 O ATOM 1288 CB LEU A 80 19.066 -0.285 13.433 1.00 0.34 C ATOM 1289 CG LEU A 80 19.160 0.746 12.302 1.00 1.55 C ATOM 1290 CD1 LEU A 80 17.769 1.296 11.985 1.00 2.34 C ATOM 1291 CD2 LEU A 80 20.068 1.899 12.731 1.00 2.59 C ATOM 0 H LEU A 80 18.393 -2.012 11.513 1.00 0.23 H new ATOM 0 HA LEU A 80 20.896 -1.338 13.051 1.00 0.30 H new ATOM 0 HB2 LEU A 80 18.022 -0.524 13.637 1.00 0.34 H new ATOM 0 HB3 LEU A 80 19.484 0.127 14.352 1.00 0.34 H new ATOM 0 HG LEU A 80 19.572 0.264 11.416 1.00 1.55 H new ATOM 0 HD11 LEU A 80 17.842 2.028 11.181 1.00 2.34 H new ATOM 0 HD12 LEU A 80 17.117 0.480 11.675 1.00 2.34 H new ATOM 0 HD13 LEU A 80 17.355 1.773 12.873 1.00 2.34 H new ATOM 0 HD21 LEU A 80 20.133 2.630 11.925 1.00 2.59 H new ATOM 0 HD22 LEU A 80 19.656 2.375 13.621 1.00 2.59 H new ATOM 0 HD23 LEU A 80 21.064 1.515 12.953 1.00 2.59 H new ATOM 1303 N LEU A 81 20.481 -3.233 14.673 1.00 0.38 N ATOM 1304 CA LEU A 81 20.207 -4.357 15.601 1.00 0.41 C ATOM 1305 C LEU A 81 20.605 -3.995 17.010 1.00 0.42 C ATOM 1306 O LEU A 81 21.746 -3.668 17.270 1.00 0.38 O ATOM 1307 CB LEU A 81 21.060 -5.574 15.245 1.00 0.47 C ATOM 1308 CG LEU A 81 20.208 -6.645 14.566 1.00 0.60 C ATOM 1309 CD1 LEU A 81 21.089 -7.849 14.233 1.00 0.76 C ATOM 1310 CD2 LEU A 81 19.087 -7.086 15.509 1.00 0.52 C ATOM 0 H LEU A 81 21.457 -2.941 14.620 1.00 0.38 H new ATOM 0 HA LEU A 81 19.141 -4.570 15.521 1.00 0.41 H new ATOM 0 HB2 LEU A 81 21.873 -5.275 14.584 1.00 0.47 H new ATOM 0 HB3 LEU A 81 21.516 -5.982 16.147 1.00 0.47 H new ATOM 0 HG LEU A 81 19.773 -6.239 13.653 1.00 0.60 H new ATOM 0 HD11 LEU A 81 20.487 -8.617 13.748 1.00 0.76 H new ATOM 0 HD12 LEU A 81 21.890 -7.539 13.562 1.00 0.76 H new ATOM 0 HD13 LEU A 81 21.519 -8.250 15.151 1.00 0.76 H new ATOM 0 HD21 LEU A 81 18.481 -7.850 15.022 1.00 0.52 H new ATOM 0 HD22 LEU A 81 19.519 -7.494 16.423 1.00 0.52 H new ATOM 0 HD23 LEU A 81 18.461 -6.229 15.756 1.00 0.52 H new ATOM 1322 N HIS A 82 19.730 -4.160 17.936 1.00 0.50 N ATOM 1323 CA HIS A 82 20.163 -3.945 19.332 1.00 0.54 C ATOM 1324 C HIS A 82 21.344 -4.901 19.443 1.00 0.44 C ATOM 1325 O HIS A 82 21.279 -6.005 18.943 1.00 0.44 O ATOM 1326 CB HIS A 82 19.057 -4.326 20.322 1.00 0.72 C ATOM 1327 CG HIS A 82 18.576 -3.087 21.031 1.00 0.89 C ATOM 1328 ND1 HIS A 82 17.476 -2.365 20.594 1.00 1.78 N ATOM 1329 CD2 HIS A 82 19.034 -2.430 22.148 1.00 0.89 C ATOM 1330 CE1 HIS A 82 17.313 -1.327 21.433 1.00 1.74 C ATOM 1331 NE2 HIS A 82 18.235 -1.319 22.399 1.00 1.20 N ATOM 0 H HIS A 82 18.755 -4.428 17.800 1.00 0.50 H new ATOM 0 HA HIS A 82 20.406 -2.908 19.562 1.00 0.54 H new ATOM 0 HB2 HIS A 82 18.230 -4.802 19.795 1.00 0.72 H new ATOM 0 HB3 HIS A 82 19.433 -5.050 21.045 1.00 0.72 H new ATOM 0 HD2 HIS A 82 19.885 -2.731 22.741 1.00 0.89 H new ATOM 0 HE1 HIS A 82 16.531 -0.589 21.337 1.00 1.74 H new ATOM 0 HE2 HIS A 82 18.332 -0.644 23.157 1.00 1.20 H new ATOM 1339 N LYS A 83 22.445 -4.499 19.979 1.00 0.38 N ATOM 1340 CA LYS A 83 23.604 -5.431 19.957 1.00 0.35 C ATOM 1341 C LYS A 83 23.277 -6.746 20.663 1.00 0.49 C ATOM 1342 O LYS A 83 23.760 -7.790 20.274 1.00 0.56 O ATOM 1343 CB LYS A 83 24.817 -4.794 20.625 1.00 0.30 C ATOM 1344 CG LYS A 83 25.922 -5.844 20.727 1.00 0.86 C ATOM 1345 CD LYS A 83 27.155 -5.223 21.387 1.00 1.44 C ATOM 1346 CE LYS A 83 26.950 -5.160 22.902 1.00 1.76 C ATOM 1347 NZ LYS A 83 27.171 -6.510 23.490 1.00 1.07 N ATOM 0 H LYS A 83 22.601 -3.594 20.422 1.00 0.38 H new ATOM 0 HA LYS A 83 23.830 -5.641 18.911 1.00 0.35 H new ATOM 0 HB2 LYS A 83 25.161 -3.937 20.046 1.00 0.30 H new ATOM 0 HB3 LYS A 83 24.553 -4.424 21.616 1.00 0.30 H new ATOM 0 HG2 LYS A 83 25.575 -6.697 21.310 1.00 0.86 H new ATOM 0 HG3 LYS A 83 26.176 -6.218 19.735 1.00 0.86 H new ATOM 0 HD2 LYS A 83 28.041 -5.814 21.154 1.00 1.44 H new ATOM 0 HD3 LYS A 83 27.326 -4.222 20.991 1.00 1.44 H new ATOM 0 HE2 LYS A 83 27.641 -4.442 23.344 1.00 1.76 H new ATOM 0 HE3 LYS A 83 25.942 -4.813 23.129 1.00 1.76 H new ATOM 0 HZ1 LYS A 83 27.284 -6.426 24.520 1.00 1.07 H new ATOM 0 HZ2 LYS A 83 26.354 -7.118 23.280 1.00 1.07 H new ATOM 0 HZ3 LYS A 83 28.030 -6.931 23.081 1.00 1.07 H new ATOM 1361 N HIS A 84 22.471 -6.732 21.681 1.00 0.59 N ATOM 1362 CA HIS A 84 22.156 -8.020 22.353 1.00 0.74 C ATOM 1363 C HIS A 84 21.586 -8.965 21.295 1.00 0.64 C ATOM 1364 O HIS A 84 21.789 -10.162 21.327 1.00 0.71 O ATOM 1365 CB HIS A 84 21.114 -7.785 23.450 1.00 0.87 C ATOM 1366 CG HIS A 84 20.503 -9.099 23.859 1.00 2.21 C ATOM 1367 ND1 HIS A 84 20.823 -9.723 25.055 1.00 1.64 N ATOM 1368 CD2 HIS A 84 19.582 -9.911 23.246 1.00 4.77 C ATOM 1369 CE1 HIS A 84 20.105 -10.860 25.122 1.00 3.81 C ATOM 1370 NE2 HIS A 84 19.332 -11.022 24.045 1.00 5.73 N ATOM 0 H HIS A 84 22.023 -5.903 22.073 1.00 0.59 H new ATOM 0 HA HIS A 84 23.050 -8.447 22.807 1.00 0.74 H new ATOM 0 HB2 HIS A 84 21.580 -7.306 24.311 1.00 0.87 H new ATOM 0 HB3 HIS A 84 20.339 -7.109 23.090 1.00 0.87 H new ATOM 0 HD2 HIS A 84 19.121 -9.717 22.289 1.00 4.77 H new ATOM 0 HE1 HIS A 84 20.149 -11.556 25.946 1.00 3.81 H new ATOM 0 HE2 HIS A 84 18.695 -11.794 23.850 1.00 5.73 H new ATOM 1378 N GLU A 85 20.873 -8.414 20.355 1.00 0.49 N ATOM 1379 CA GLU A 85 20.268 -9.230 19.266 1.00 0.40 C ATOM 1380 C GLU A 85 21.332 -9.700 18.259 1.00 0.38 C ATOM 1381 O GLU A 85 21.206 -10.750 17.663 1.00 0.39 O ATOM 1382 CB GLU A 85 19.235 -8.374 18.525 1.00 0.34 C ATOM 1383 CG GLU A 85 18.313 -7.692 19.542 1.00 0.47 C ATOM 1384 CD GLU A 85 16.861 -7.777 19.067 1.00 2.08 C ATOM 1385 OE1 GLU A 85 16.400 -8.879 18.824 1.00 2.92 O ATOM 1386 OE2 GLU A 85 16.234 -6.735 18.956 1.00 2.79 O ATOM 0 H GLU A 85 20.680 -7.414 20.294 1.00 0.49 H new ATOM 0 HA GLU A 85 19.803 -10.109 19.712 1.00 0.40 H new ATOM 0 HB2 GLU A 85 19.739 -7.624 17.915 1.00 0.34 H new ATOM 0 HB3 GLU A 85 18.650 -8.996 17.848 1.00 0.34 H new ATOM 0 HG2 GLU A 85 18.415 -8.170 20.516 1.00 0.47 H new ATOM 0 HG3 GLU A 85 18.603 -6.649 19.667 1.00 0.47 H new ATOM 1393 N LEU A 86 22.332 -8.896 18.004 1.00 0.39 N ATOM 1394 CA LEU A 86 23.344 -9.264 16.962 1.00 0.48 C ATOM 1395 C LEU A 86 24.239 -10.456 17.355 1.00 0.54 C ATOM 1396 O LEU A 86 24.445 -11.362 16.572 1.00 0.55 O ATOM 1397 CB LEU A 86 24.244 -8.046 16.722 1.00 0.56 C ATOM 1398 CG LEU A 86 25.202 -8.337 15.566 1.00 0.56 C ATOM 1399 CD1 LEU A 86 24.497 -9.188 14.507 1.00 1.42 C ATOM 1400 CD2 LEU A 86 25.646 -7.017 14.942 1.00 0.61 C ATOM 0 H LEU A 86 22.494 -8.003 18.469 1.00 0.39 H new ATOM 0 HA LEU A 86 22.792 -9.563 16.071 1.00 0.48 H new ATOM 0 HB2 LEU A 86 23.636 -7.171 16.492 1.00 0.56 H new ATOM 0 HB3 LEU A 86 24.808 -7.814 17.625 1.00 0.56 H new ATOM 0 HG LEU A 86 26.069 -8.881 15.942 1.00 0.56 H new ATOM 0 HD11 LEU A 86 25.185 -9.391 13.687 1.00 1.42 H new ATOM 0 HD12 LEU A 86 24.175 -10.129 14.952 1.00 1.42 H new ATOM 0 HD13 LEU A 86 23.628 -8.650 14.127 1.00 1.42 H new ATOM 0 HD21 LEU A 86 26.330 -7.216 14.117 1.00 0.61 H new ATOM 0 HD22 LEU A 86 24.774 -6.479 14.569 1.00 0.61 H new ATOM 0 HD23 LEU A 86 26.152 -6.411 15.694 1.00 0.61 H new ATOM 1412 N ARG A 87 24.813 -10.448 18.521 1.00 0.58 N ATOM 1413 CA ARG A 87 25.743 -11.562 18.913 1.00 0.65 C ATOM 1414 C ARG A 87 25.049 -12.940 19.051 1.00 0.52 C ATOM 1415 O ARG A 87 25.680 -13.961 18.866 1.00 0.56 O ATOM 1416 CB ARG A 87 26.403 -11.214 20.249 1.00 0.79 C ATOM 1417 CG ARG A 87 27.296 -12.377 20.694 1.00 1.27 C ATOM 1418 CD ARG A 87 28.728 -11.877 20.901 1.00 0.91 C ATOM 1419 NE ARG A 87 29.692 -12.894 20.388 1.00 1.00 N ATOM 1420 CZ ARG A 87 29.789 -13.118 19.104 1.00 2.04 C ATOM 1421 NH1 ARG A 87 29.215 -12.311 18.255 1.00 3.86 N ATOM 1422 NH2 ARG A 87 30.464 -14.147 18.670 1.00 2.37 N ATOM 0 H ARG A 87 24.685 -9.723 19.227 1.00 0.58 H new ATOM 0 HA ARG A 87 26.472 -11.653 18.108 1.00 0.65 H new ATOM 0 HB2 ARG A 87 26.995 -10.304 20.149 1.00 0.79 H new ATOM 0 HB3 ARG A 87 25.641 -11.017 21.003 1.00 0.79 H new ATOM 0 HG2 ARG A 87 26.914 -12.809 21.619 1.00 1.27 H new ATOM 0 HG3 ARG A 87 27.281 -13.167 19.944 1.00 1.27 H new ATOM 0 HD2 ARG A 87 28.872 -10.930 20.381 1.00 0.91 H new ATOM 0 HD3 ARG A 87 28.909 -11.690 21.959 1.00 0.91 H new ATOM 0 HE ARG A 87 30.277 -13.416 21.041 1.00 1.00 H new ATOM 0 HH11 ARG A 87 28.690 -11.504 18.593 1.00 3.86 H new ATOM 0 HH12 ARG A 87 29.291 -12.486 17.253 1.00 3.86 H new ATOM 0 HH21 ARG A 87 30.916 -14.777 19.333 1.00 2.37 H new ATOM 0 HH22 ARG A 87 30.539 -14.322 17.668 1.00 2.37 H new ATOM 1436 N ARG A 88 23.807 -12.999 19.453 1.00 0.41 N ATOM 1437 CA ARG A 88 23.166 -14.344 19.687 1.00 0.34 C ATOM 1438 C ARG A 88 22.833 -15.135 18.400 1.00 0.29 C ATOM 1439 O ARG A 88 23.124 -16.312 18.312 1.00 0.32 O ATOM 1440 CB ARG A 88 21.870 -14.138 20.469 1.00 0.37 C ATOM 1441 CG ARG A 88 20.864 -15.219 20.074 1.00 1.32 C ATOM 1442 CD ARG A 88 19.770 -15.316 21.137 1.00 2.35 C ATOM 1443 NE ARG A 88 20.127 -16.376 22.122 1.00 1.66 N ATOM 1444 CZ ARG A 88 19.644 -17.580 21.990 1.00 3.38 C ATOM 1445 NH1 ARG A 88 18.375 -17.798 22.204 1.00 4.03 N ATOM 1446 NH2 ARG A 88 20.427 -18.565 21.646 1.00 5.07 N ATOM 0 H ARG A 88 23.209 -12.192 19.630 1.00 0.41 H new ATOM 0 HA ARG A 88 23.900 -14.936 20.233 1.00 0.34 H new ATOM 0 HB2 ARG A 88 22.067 -14.183 21.540 1.00 0.37 H new ATOM 0 HB3 ARG A 88 21.460 -13.150 20.261 1.00 0.37 H new ATOM 0 HG2 ARG A 88 20.424 -14.983 19.105 1.00 1.32 H new ATOM 0 HG3 ARG A 88 21.369 -16.179 19.969 1.00 1.32 H new ATOM 0 HD2 ARG A 88 19.654 -14.358 21.644 1.00 2.35 H new ATOM 0 HD3 ARG A 88 18.813 -15.547 20.669 1.00 2.35 H new ATOM 0 HE ARG A 88 20.750 -16.159 22.900 1.00 1.66 H new ATOM 0 HH11 ARG A 88 17.764 -17.027 22.474 1.00 4.03 H new ATOM 0 HH12 ARG A 88 17.995 -18.739 22.101 1.00 4.03 H new ATOM 0 HH21 ARG A 88 21.419 -18.394 21.480 1.00 5.07 H new ATOM 0 HH22 ARG A 88 20.048 -19.506 21.543 1.00 5.07 H new ATOM 1460 N LEU A 89 22.200 -14.540 17.429 1.00 0.30 N ATOM 1461 CA LEU A 89 21.823 -15.313 16.193 1.00 0.40 C ATOM 1462 C LEU A 89 23.051 -15.535 15.305 1.00 0.43 C ATOM 1463 O LEU A 89 23.284 -16.616 14.801 1.00 0.58 O ATOM 1464 CB LEU A 89 20.756 -14.506 15.446 1.00 0.47 C ATOM 1465 CG LEU A 89 20.782 -14.738 13.921 1.00 0.61 C ATOM 1466 CD1 LEU A 89 21.973 -14.021 13.280 1.00 0.59 C ATOM 1467 CD2 LEU A 89 20.860 -16.230 13.618 1.00 0.70 C ATOM 0 H LEU A 89 21.925 -13.558 17.428 1.00 0.30 H new ATOM 0 HA LEU A 89 21.433 -16.294 16.463 1.00 0.40 H new ATOM 0 HB2 LEU A 89 19.772 -14.771 15.832 1.00 0.47 H new ATOM 0 HB3 LEU A 89 20.902 -13.445 15.649 1.00 0.47 H new ATOM 0 HG LEU A 89 19.862 -14.331 13.501 1.00 0.61 H new ATOM 0 HD11 LEU A 89 21.970 -14.200 12.205 1.00 0.59 H new ATOM 0 HD12 LEU A 89 21.898 -12.950 13.470 1.00 0.59 H new ATOM 0 HD13 LEU A 89 22.900 -14.402 13.708 1.00 0.59 H new ATOM 0 HD21 LEU A 89 20.878 -16.382 12.539 1.00 0.70 H new ATOM 0 HD22 LEU A 89 21.768 -16.644 14.058 1.00 0.70 H new ATOM 0 HD23 LEU A 89 19.990 -16.733 14.041 1.00 0.70 H new ATOM 1479 N LEU A 90 23.827 -14.512 15.106 1.00 0.36 N ATOM 1480 CA LEU A 90 25.033 -14.626 14.241 1.00 0.46 C ATOM 1481 C LEU A 90 25.977 -15.698 14.791 1.00 0.45 C ATOM 1482 O LEU A 90 26.671 -16.365 14.049 1.00 0.45 O ATOM 1483 CB LEU A 90 25.726 -13.259 14.199 1.00 0.67 C ATOM 1484 CG LEU A 90 27.131 -13.370 13.604 1.00 0.81 C ATOM 1485 CD1 LEU A 90 28.101 -13.922 14.653 1.00 0.85 C ATOM 1486 CD2 LEU A 90 27.108 -14.282 12.378 1.00 0.73 C ATOM 0 H LEU A 90 23.677 -13.588 15.511 1.00 0.36 H new ATOM 0 HA LEU A 90 24.747 -14.922 13.232 1.00 0.46 H new ATOM 0 HB2 LEU A 90 25.131 -12.565 13.606 1.00 0.67 H new ATOM 0 HB3 LEU A 90 25.786 -12.848 15.207 1.00 0.67 H new ATOM 0 HG LEU A 90 27.467 -12.379 13.300 1.00 0.81 H new ATOM 0 HD11 LEU A 90 29.099 -13.998 14.221 1.00 0.85 H new ATOM 0 HD12 LEU A 90 28.127 -13.252 15.512 1.00 0.85 H new ATOM 0 HD13 LEU A 90 27.768 -14.909 14.973 1.00 0.85 H new ATOM 0 HD21 LEU A 90 28.112 -14.356 11.960 1.00 0.73 H new ATOM 0 HD22 LEU A 90 26.762 -15.274 12.669 1.00 0.73 H new ATOM 0 HD23 LEU A 90 26.433 -13.868 11.629 1.00 0.73 H new ATOM 1498 N GLY A 91 26.033 -15.849 16.079 1.00 0.50 N ATOM 1499 CA GLY A 91 26.960 -16.852 16.676 1.00 0.57 C ATOM 1500 C GLY A 91 26.662 -18.267 16.167 1.00 0.47 C ATOM 1501 O GLY A 91 27.520 -19.127 16.208 1.00 0.49 O ATOM 0 H GLY A 91 25.476 -15.321 16.751 1.00 0.50 H new ATOM 0 HA2 GLY A 91 27.989 -16.587 16.434 1.00 0.57 H new ATOM 0 HA3 GLY A 91 26.872 -16.829 17.762 1.00 0.57 H new ATOM 1505 N LYS A 92 25.473 -18.545 15.701 1.00 0.37 N ATOM 1506 CA LYS A 92 25.195 -19.929 15.226 1.00 0.32 C ATOM 1507 C LYS A 92 25.629 -20.100 13.768 1.00 0.21 C ATOM 1508 O LYS A 92 26.125 -21.138 13.386 1.00 0.21 O ATOM 1509 CB LYS A 92 23.702 -20.211 15.343 1.00 0.33 C ATOM 1510 CG LYS A 92 23.477 -21.485 16.164 1.00 1.55 C ATOM 1511 CD LYS A 92 24.164 -21.377 17.532 1.00 1.05 C ATOM 1512 CE LYS A 92 24.686 -22.756 17.946 1.00 0.58 C ATOM 1513 NZ LYS A 92 25.997 -22.610 18.643 1.00 1.72 N ATOM 0 H LYS A 92 24.697 -17.887 15.630 1.00 0.37 H new ATOM 0 HA LYS A 92 25.759 -20.629 15.842 1.00 0.32 H new ATOM 0 HB2 LYS A 92 23.200 -19.368 15.818 1.00 0.33 H new ATOM 0 HB3 LYS A 92 23.265 -20.325 14.351 1.00 0.33 H new ATOM 0 HG2 LYS A 92 22.408 -21.652 16.300 1.00 1.55 H new ATOM 0 HG3 LYS A 92 23.868 -22.346 15.622 1.00 1.55 H new ATOM 0 HD2 LYS A 92 24.987 -20.664 17.483 1.00 1.05 H new ATOM 0 HD3 LYS A 92 23.461 -21.003 18.276 1.00 1.05 H new ATOM 0 HE2 LYS A 92 23.967 -23.245 18.603 1.00 0.58 H new ATOM 0 HE3 LYS A 92 24.799 -23.391 17.068 1.00 0.58 H new ATOM 0 HZ1 LYS A 92 26.348 -23.548 18.922 1.00 1.72 H new ATOM 0 HZ2 LYS A 92 26.682 -22.160 18.003 1.00 1.72 H new ATOM 0 HZ3 LYS A 92 25.876 -22.019 19.490 1.00 1.72 H new ATOM 1527 N VAL A 93 25.439 -19.106 12.949 1.00 0.15 N ATOM 1528 CA VAL A 93 25.829 -19.239 11.520 1.00 0.15 C ATOM 1529 C VAL A 93 27.332 -19.472 11.382 1.00 0.17 C ATOM 1530 O VAL A 93 27.789 -20.139 10.475 1.00 0.18 O ATOM 1531 CB VAL A 93 25.483 -17.950 10.792 1.00 0.28 C ATOM 1532 CG1 VAL A 93 23.979 -17.838 10.596 1.00 0.37 C ATOM 1533 CG2 VAL A 93 25.974 -16.754 11.602 1.00 0.40 C ATOM 0 H VAL A 93 25.031 -18.208 13.207 1.00 0.15 H new ATOM 0 HA VAL A 93 25.294 -20.089 11.096 1.00 0.15 H new ATOM 0 HB VAL A 93 25.970 -17.961 9.817 1.00 0.28 H new ATOM 0 HG11 VAL A 93 23.748 -16.910 10.073 1.00 0.37 H new ATOM 0 HG12 VAL A 93 23.625 -18.684 10.007 1.00 0.37 H new ATOM 0 HG13 VAL A 93 23.484 -17.840 11.567 1.00 0.37 H new ATOM 0 HG21 VAL A 93 25.724 -15.832 11.077 1.00 0.40 H new ATOM 0 HG22 VAL A 93 25.494 -16.756 12.581 1.00 0.40 H new ATOM 0 HG23 VAL A 93 27.055 -16.819 11.728 1.00 0.40 H new ATOM 1543 N GLU A 94 28.097 -18.900 12.253 1.00 0.20 N ATOM 1544 CA GLU A 94 29.580 -19.046 12.171 1.00 0.24 C ATOM 1545 C GLU A 94 29.984 -20.524 12.170 1.00 0.20 C ATOM 1546 O GLU A 94 31.104 -20.863 11.843 1.00 0.23 O ATOM 1547 CB GLU A 94 30.225 -18.350 13.369 1.00 0.28 C ATOM 1548 CG GLU A 94 31.716 -18.144 13.098 1.00 0.44 C ATOM 1549 CD GLU A 94 32.192 -16.875 13.809 1.00 0.32 C ATOM 1550 OE1 GLU A 94 31.951 -15.802 13.283 1.00 2.14 O ATOM 1551 OE2 GLU A 94 32.788 -16.999 14.867 1.00 1.30 O ATOM 0 H GLU A 94 27.763 -18.330 13.030 1.00 0.20 H new ATOM 0 HA GLU A 94 29.921 -18.590 11.242 1.00 0.24 H new ATOM 0 HB2 GLU A 94 29.741 -17.390 13.549 1.00 0.28 H new ATOM 0 HB3 GLU A 94 30.088 -18.950 14.269 1.00 0.28 H new ATOM 0 HG2 GLU A 94 32.283 -19.006 13.450 1.00 0.44 H new ATOM 0 HG3 GLU A 94 31.894 -18.062 12.026 1.00 0.44 H new ATOM 1558 N GLN A 95 29.099 -21.411 12.529 1.00 0.19 N ATOM 1559 CA GLN A 95 29.476 -22.853 12.532 1.00 0.22 C ATOM 1560 C GLN A 95 30.162 -23.201 11.206 1.00 0.24 C ATOM 1561 O GLN A 95 31.358 -23.050 11.057 1.00 0.30 O ATOM 1562 CB GLN A 95 28.225 -23.712 12.702 1.00 0.28 C ATOM 1563 CG GLN A 95 27.824 -23.744 14.179 1.00 0.59 C ATOM 1564 CD GLN A 95 26.918 -24.949 14.438 1.00 0.70 C ATOM 1565 OE1 GLN A 95 26.843 -25.852 13.628 1.00 1.50 O ATOM 1566 NE2 GLN A 95 26.221 -25.002 15.541 1.00 2.20 N ATOM 0 H GLN A 95 28.143 -21.205 12.817 1.00 0.19 H new ATOM 0 HA GLN A 95 30.159 -23.048 13.359 1.00 0.22 H new ATOM 0 HB2 GLN A 95 27.410 -23.309 12.102 1.00 0.28 H new ATOM 0 HB3 GLN A 95 28.414 -24.724 12.344 1.00 0.28 H new ATOM 0 HG2 GLN A 95 28.713 -23.803 14.807 1.00 0.59 H new ATOM 0 HG3 GLN A 95 27.306 -22.823 14.446 1.00 0.59 H new ATOM 0 HE21 GLN A 95 26.284 -24.244 16.221 1.00 2.20 H new ATOM 0 HE22 GLN A 95 25.614 -25.801 15.723 1.00 2.20 H new ATOM 1575 N LYS A 96 29.415 -23.660 10.238 1.00 0.32 N ATOM 1576 CA LYS A 96 30.027 -24.011 8.924 1.00 0.33 C ATOM 1577 C LYS A 96 28.927 -24.478 7.968 1.00 0.39 C ATOM 1578 O LYS A 96 28.334 -25.521 8.150 1.00 0.51 O ATOM 1579 CB LYS A 96 31.050 -25.132 9.113 1.00 0.46 C ATOM 1580 CG LYS A 96 32.459 -24.577 8.890 1.00 1.78 C ATOM 1581 CD LYS A 96 32.868 -24.804 7.435 1.00 1.79 C ATOM 1582 CE LYS A 96 34.272 -24.243 7.209 1.00 2.25 C ATOM 1583 NZ LYS A 96 35.194 -24.793 8.241 1.00 2.03 N ATOM 0 H LYS A 96 28.408 -23.807 10.300 1.00 0.32 H new ATOM 0 HA LYS A 96 30.528 -23.136 8.510 1.00 0.33 H new ATOM 0 HB2 LYS A 96 30.966 -25.550 10.116 1.00 0.46 H new ATOM 0 HB3 LYS A 96 30.851 -25.943 8.412 1.00 0.46 H new ATOM 0 HG2 LYS A 96 32.484 -23.513 9.125 1.00 1.78 H new ATOM 0 HG3 LYS A 96 33.166 -25.068 9.559 1.00 1.78 H new ATOM 0 HD2 LYS A 96 32.848 -25.869 7.202 1.00 1.79 H new ATOM 0 HD3 LYS A 96 32.158 -24.318 6.766 1.00 1.79 H new ATOM 0 HE2 LYS A 96 34.625 -24.506 6.212 1.00 2.25 H new ATOM 0 HE3 LYS A 96 34.254 -23.155 7.264 1.00 2.25 H new ATOM 0 HZ1 LYS A 96 36.151 -24.875 7.843 1.00 2.03 H new ATOM 0 HZ2 LYS A 96 35.214 -24.156 9.063 1.00 2.03 H new ATOM 0 HZ3 LYS A 96 34.861 -25.732 8.539 1.00 2.03 H new ATOM 1597 N GLY A 97 28.638 -23.700 6.961 1.00 0.30 N ATOM 1598 CA GLY A 97 27.562 -24.085 6.005 1.00 0.36 C ATOM 1599 C GLY A 97 26.256 -23.426 6.451 1.00 0.36 C ATOM 1600 O GLY A 97 25.179 -23.784 6.019 1.00 0.33 O ATOM 0 H GLY A 97 29.101 -22.814 6.759 1.00 0.30 H new ATOM 0 HA2 GLY A 97 27.821 -23.767 4.995 1.00 0.36 H new ATOM 0 HA3 GLY A 97 27.449 -25.169 5.978 1.00 0.36 H new ATOM 1604 N LEU A 98 26.358 -22.463 7.326 1.00 0.47 N ATOM 1605 CA LEU A 98 25.149 -21.761 7.836 1.00 0.48 C ATOM 1606 C LEU A 98 25.106 -20.341 7.272 1.00 0.48 C ATOM 1607 O LEU A 98 26.128 -19.773 6.948 1.00 0.47 O ATOM 1608 CB LEU A 98 25.236 -21.635 9.347 1.00 0.50 C ATOM 1609 CG LEU A 98 24.720 -22.895 10.023 1.00 0.46 C ATOM 1610 CD1 LEU A 98 25.233 -24.129 9.275 1.00 0.42 C ATOM 1611 CD2 LEU A 98 25.225 -22.930 11.465 1.00 0.52 C ATOM 0 H LEU A 98 27.241 -22.129 7.713 1.00 0.47 H new ATOM 0 HA LEU A 98 24.266 -22.328 7.539 1.00 0.48 H new ATOM 0 HB2 LEU A 98 26.270 -21.455 9.643 1.00 0.50 H new ATOM 0 HB3 LEU A 98 24.655 -20.775 9.679 1.00 0.50 H new ATOM 0 HG LEU A 98 23.630 -22.895 10.012 1.00 0.46 H new ATOM 0 HD11 LEU A 98 24.861 -25.030 9.762 1.00 0.42 H new ATOM 0 HD12 LEU A 98 24.880 -24.102 8.244 1.00 0.42 H new ATOM 0 HD13 LEU A 98 26.323 -24.134 9.286 1.00 0.42 H new ATOM 0 HD21 LEU A 98 24.859 -23.831 11.957 1.00 0.52 H new ATOM 0 HD22 LEU A 98 26.315 -22.932 11.469 1.00 0.52 H new ATOM 0 HD23 LEU A 98 24.862 -22.052 11.999 1.00 0.52 H new ATOM 1623 N THR A 99 23.945 -19.749 7.161 1.00 0.48 N ATOM 1624 CA THR A 99 23.903 -18.358 6.627 1.00 0.48 C ATOM 1625 C THR A 99 23.174 -17.418 7.588 1.00 0.46 C ATOM 1626 O THR A 99 22.293 -17.816 8.323 1.00 0.32 O ATOM 1627 CB THR A 99 23.165 -18.349 5.289 1.00 0.51 C ATOM 1628 OG1 THR A 99 22.400 -19.542 5.164 1.00 0.48 O ATOM 1629 CG2 THR A 99 24.178 -18.267 4.150 1.00 0.73 C ATOM 0 H THR A 99 23.044 -20.158 7.411 1.00 0.48 H new ATOM 0 HA THR A 99 24.930 -18.013 6.505 1.00 0.48 H new ATOM 0 HB THR A 99 22.501 -17.486 5.244 1.00 0.51 H new ATOM 0 HG1 THR A 99 21.924 -19.537 4.307 1.00 0.48 H new ATOM 0 HG21 THR A 99 23.652 -18.261 3.195 1.00 0.73 H new ATOM 0 HG22 THR A 99 24.763 -17.352 4.248 1.00 0.73 H new ATOM 0 HG23 THR A 99 24.843 -19.129 4.192 1.00 0.73 H new ATOM 1637 N LEU A 100 23.485 -16.149 7.517 1.00 0.78 N ATOM 1638 CA LEU A 100 22.769 -15.161 8.342 1.00 0.77 C ATOM 1639 C LEU A 100 22.010 -14.284 7.369 1.00 0.79 C ATOM 1640 O LEU A 100 22.542 -13.722 6.434 1.00 0.83 O ATOM 1641 CB LEU A 100 23.719 -14.308 9.188 1.00 0.74 C ATOM 1642 CG LEU A 100 25.161 -14.517 8.750 1.00 0.75 C ATOM 1643 CD1 LEU A 100 25.297 -14.040 7.313 1.00 0.75 C ATOM 1644 CD2 LEU A 100 26.073 -13.699 9.664 1.00 0.80 C ATOM 0 H LEU A 100 24.212 -15.763 6.914 1.00 0.78 H new ATOM 0 HA LEU A 100 22.111 -15.667 9.049 1.00 0.77 H new ATOM 0 HB2 LEU A 100 23.453 -13.255 9.093 1.00 0.74 H new ATOM 0 HB3 LEU A 100 23.612 -14.570 10.241 1.00 0.74 H new ATOM 0 HG LEU A 100 25.440 -15.569 8.813 1.00 0.75 H new ATOM 0 HD11 LEU A 100 26.325 -14.181 6.979 1.00 0.75 H new ATOM 0 HD12 LEU A 100 24.626 -14.614 6.674 1.00 0.75 H new ATOM 0 HD13 LEU A 100 25.038 -12.983 7.255 1.00 0.75 H new ATOM 0 HD21 LEU A 100 27.111 -13.839 9.362 1.00 0.80 H new ATOM 0 HD22 LEU A 100 25.812 -12.643 9.588 1.00 0.80 H new ATOM 0 HD23 LEU A 100 25.947 -14.031 10.695 1.00 0.80 H new ATOM 1656 N VAL A 101 20.761 -14.210 7.548 1.00 0.76 N ATOM 1657 CA VAL A 101 19.947 -13.425 6.601 1.00 0.81 C ATOM 1658 C VAL A 101 18.749 -12.740 7.283 1.00 0.70 C ATOM 1659 O VAL A 101 17.957 -13.404 7.920 1.00 0.45 O ATOM 1660 CB VAL A 101 19.441 -14.399 5.536 1.00 0.84 C ATOM 1661 CG1 VAL A 101 18.810 -15.611 6.222 1.00 1.39 C ATOM 1662 CG2 VAL A 101 18.393 -13.714 4.664 1.00 0.76 C ATOM 0 H VAL A 101 20.247 -14.655 8.308 1.00 0.76 H new ATOM 0 HA VAL A 101 20.559 -12.630 6.174 1.00 0.81 H new ATOM 0 HB VAL A 101 20.276 -14.718 4.913 1.00 0.84 H new ATOM 0 HG11 VAL A 101 18.448 -16.309 5.467 1.00 1.39 H new ATOM 0 HG12 VAL A 101 19.555 -16.105 6.845 1.00 1.39 H new ATOM 0 HG13 VAL A 101 17.977 -15.284 6.844 1.00 1.39 H new ATOM 0 HG21 VAL A 101 18.036 -14.413 3.907 1.00 0.76 H new ATOM 0 HG22 VAL A 101 17.556 -13.393 5.285 1.00 0.76 H new ATOM 0 HG23 VAL A 101 18.837 -12.846 4.176 1.00 0.76 H new ATOM 1672 N PRO A 102 18.611 -11.452 7.060 1.00 0.90 N ATOM 1673 CA PRO A 102 17.454 -10.666 7.549 1.00 0.91 C ATOM 1674 C PRO A 102 16.340 -10.894 6.496 1.00 1.23 C ATOM 1675 O PRO A 102 15.860 -9.981 5.853 1.00 1.62 O ATOM 1676 CB PRO A 102 17.959 -9.221 7.498 1.00 1.16 C ATOM 1677 CG PRO A 102 19.113 -9.202 6.468 1.00 1.41 C ATOM 1678 CD PRO A 102 19.607 -10.652 6.322 1.00 1.24 C ATOM 0 HA PRO A 102 17.081 -10.919 8.541 1.00 0.91 H new ATOM 0 HB2 PRO A 102 17.161 -8.540 7.201 1.00 1.16 H new ATOM 0 HB3 PRO A 102 18.307 -8.896 8.478 1.00 1.16 H new ATOM 0 HG2 PRO A 102 18.769 -8.813 5.510 1.00 1.41 H new ATOM 0 HG3 PRO A 102 19.920 -8.551 6.805 1.00 1.41 H new ATOM 0 HD2 PRO A 102 19.660 -10.951 5.275 1.00 1.24 H new ATOM 0 HD3 PRO A 102 20.606 -10.776 6.740 1.00 1.24 H new ATOM 1686 N LEU A 103 16.035 -12.146 6.263 1.00 1.16 N ATOM 1687 CA LEU A 103 15.079 -12.589 5.199 1.00 1.56 C ATOM 1688 C LEU A 103 13.723 -11.869 5.171 1.00 1.34 C ATOM 1689 O LEU A 103 13.128 -11.772 4.121 1.00 1.37 O ATOM 1690 CB LEU A 103 14.879 -14.101 5.363 1.00 2.06 C ATOM 1691 CG LEU A 103 14.691 -14.765 3.996 1.00 4.02 C ATOM 1692 CD1 LEU A 103 15.919 -14.549 3.104 1.00 6.48 C ATOM 1693 CD2 LEU A 103 14.499 -16.256 4.209 1.00 3.43 C ATOM 0 H LEU A 103 16.432 -12.919 6.797 1.00 1.16 H new ATOM 0 HA LEU A 103 15.528 -12.324 4.242 1.00 1.56 H new ATOM 0 HB2 LEU A 103 15.740 -14.535 5.870 1.00 2.06 H new ATOM 0 HB3 LEU A 103 14.009 -14.293 5.991 1.00 2.06 H new ATOM 0 HG LEU A 103 13.824 -14.322 3.506 1.00 4.02 H new ATOM 0 HD11 LEU A 103 15.758 -15.031 2.140 1.00 6.48 H new ATOM 0 HD12 LEU A 103 16.076 -13.481 2.954 1.00 6.48 H new ATOM 0 HD13 LEU A 103 16.797 -14.981 3.583 1.00 6.48 H new ATOM 0 HD21 LEU A 103 14.363 -16.747 3.245 1.00 3.43 H new ATOM 0 HD22 LEU A 103 15.377 -16.669 4.706 1.00 3.43 H new ATOM 0 HD23 LEU A 103 13.619 -16.425 4.829 1.00 3.43 H new ATOM 1705 N LYS A 104 13.190 -11.387 6.251 1.00 1.20 N ATOM 1706 CA LYS A 104 11.846 -10.721 6.126 1.00 1.10 C ATOM 1707 C LYS A 104 11.905 -9.275 6.613 1.00 0.92 C ATOM 1708 O LYS A 104 12.496 -8.973 7.629 1.00 1.14 O ATOM 1709 CB LYS A 104 10.796 -11.484 6.935 1.00 1.23 C ATOM 1710 CG LYS A 104 9.465 -11.461 6.173 1.00 1.11 C ATOM 1711 CD LYS A 104 8.555 -12.577 6.688 1.00 1.44 C ATOM 1712 CE LYS A 104 7.466 -11.980 7.581 1.00 0.91 C ATOM 1713 NZ LYS A 104 7.792 -12.264 9.006 1.00 2.08 N ATOM 0 H LYS A 104 13.597 -11.415 7.186 1.00 1.20 H new ATOM 0 HA LYS A 104 11.569 -10.727 5.072 1.00 1.10 H new ATOM 0 HB2 LYS A 104 11.119 -12.512 7.097 1.00 1.23 H new ATOM 0 HB3 LYS A 104 10.675 -11.029 7.918 1.00 1.23 H new ATOM 0 HG2 LYS A 104 8.979 -10.494 6.301 1.00 1.11 H new ATOM 0 HG3 LYS A 104 9.644 -11.589 5.105 1.00 1.11 H new ATOM 0 HD2 LYS A 104 8.102 -13.107 5.850 1.00 1.44 H new ATOM 0 HD3 LYS A 104 9.139 -13.307 7.248 1.00 1.44 H new ATOM 0 HE2 LYS A 104 7.395 -10.904 7.419 1.00 0.91 H new ATOM 0 HE3 LYS A 104 6.496 -12.406 7.326 1.00 0.91 H new ATOM 0 HZ1 LYS A 104 7.087 -12.920 9.399 1.00 2.08 H new ATOM 0 HZ2 LYS A 104 8.737 -12.694 9.067 1.00 2.08 H new ATOM 0 HZ3 LYS A 104 7.780 -11.377 9.548 1.00 2.08 H new ATOM 1727 N ILE A 105 11.289 -8.375 5.890 1.00 0.62 N ATOM 1728 CA ILE A 105 11.309 -6.942 6.319 1.00 0.53 C ATOM 1729 C ILE A 105 9.888 -6.351 6.313 1.00 0.52 C ATOM 1730 O ILE A 105 9.170 -6.430 5.338 1.00 0.62 O ATOM 1731 CB ILE A 105 12.205 -6.128 5.376 1.00 0.49 C ATOM 1732 CG1 ILE A 105 13.573 -5.919 6.035 1.00 0.55 C ATOM 1733 CG2 ILE A 105 11.560 -4.767 5.098 1.00 0.75 C ATOM 1734 CD1 ILE A 105 14.511 -5.180 5.072 1.00 0.55 C ATOM 0 H ILE A 105 10.777 -8.567 5.029 1.00 0.62 H new ATOM 0 HA ILE A 105 11.704 -6.893 7.334 1.00 0.53 H new ATOM 0 HB ILE A 105 12.328 -6.667 4.436 1.00 0.49 H new ATOM 0 HG12 ILE A 105 13.459 -5.347 6.956 1.00 0.55 H new ATOM 0 HG13 ILE A 105 14.005 -6.882 6.309 1.00 0.55 H new ATOM 0 HG21 ILE A 105 12.199 -4.192 4.428 1.00 0.75 H new ATOM 0 HG22 ILE A 105 10.586 -4.914 4.632 1.00 0.75 H new ATOM 0 HG23 ILE A 105 11.436 -4.225 6.035 1.00 0.75 H new ATOM 0 HD11 ILE A 105 15.481 -5.035 5.548 1.00 0.55 H new ATOM 0 HD12 ILE A 105 14.637 -5.769 4.163 1.00 0.55 H new ATOM 0 HD13 ILE A 105 14.083 -4.210 4.820 1.00 0.55 H new ATOM 1746 N TYR A 106 9.506 -5.727 7.397 1.00 0.53 N ATOM 1747 CA TYR A 106 8.164 -5.080 7.494 1.00 0.46 C ATOM 1748 C TYR A 106 8.411 -3.597 7.749 1.00 0.35 C ATOM 1749 O TYR A 106 9.343 -3.244 8.438 1.00 0.27 O ATOM 1750 CB TYR A 106 7.375 -5.678 8.662 1.00 0.49 C ATOM 1751 CG TYR A 106 6.453 -6.755 8.147 1.00 0.65 C ATOM 1752 CD1 TYR A 106 6.933 -7.705 7.238 1.00 0.87 C ATOM 1753 CD2 TYR A 106 5.120 -6.805 8.573 1.00 0.86 C ATOM 1754 CE1 TYR A 106 6.081 -8.706 6.755 1.00 1.10 C ATOM 1755 CE2 TYR A 106 4.268 -7.807 8.090 1.00 1.14 C ATOM 1756 CZ TYR A 106 4.749 -8.757 7.181 1.00 1.20 C ATOM 1757 OH TYR A 106 3.909 -9.744 6.703 1.00 1.50 O ATOM 0 H TYR A 106 10.080 -5.637 8.236 1.00 0.53 H new ATOM 0 HA TYR A 106 7.589 -5.237 6.582 1.00 0.46 H new ATOM 0 HB2 TYR A 106 8.059 -6.093 9.402 1.00 0.49 H new ATOM 0 HB3 TYR A 106 6.799 -4.900 9.162 1.00 0.49 H new ATOM 0 HD1 TYR A 106 7.961 -7.666 6.909 1.00 0.87 H new ATOM 0 HD2 TYR A 106 4.749 -6.072 9.274 1.00 0.86 H new ATOM 0 HE1 TYR A 106 6.452 -9.439 6.054 1.00 1.10 H new ATOM 0 HE2 TYR A 106 3.240 -7.847 8.419 1.00 1.14 H new ATOM 0 HH TYR A 106 3.019 -9.637 7.100 1.00 1.50 H new ATOM 1767 N PHE A 107 7.636 -2.713 7.186 1.00 0.34 N ATOM 1768 CA PHE A 107 7.939 -1.271 7.412 1.00 0.22 C ATOM 1769 C PHE A 107 6.709 -0.470 7.856 1.00 0.14 C ATOM 1770 O PHE A 107 5.589 -0.744 7.470 1.00 0.25 O ATOM 1771 CB PHE A 107 8.489 -0.685 6.108 1.00 0.27 C ATOM 1772 CG PHE A 107 9.991 -0.621 6.200 1.00 0.22 C ATOM 1773 CD1 PHE A 107 10.752 -1.782 6.021 1.00 0.21 C ATOM 1774 CD2 PHE A 107 10.620 0.599 6.458 1.00 0.22 C ATOM 1775 CE1 PHE A 107 12.147 -1.723 6.098 1.00 0.19 C ATOM 1776 CE2 PHE A 107 12.019 0.659 6.534 1.00 0.20 C ATOM 1777 CZ PHE A 107 12.780 -0.501 6.355 1.00 0.19 C ATOM 0 H PHE A 107 6.829 -2.916 6.596 1.00 0.34 H new ATOM 0 HA PHE A 107 8.669 -1.200 8.218 1.00 0.22 H new ATOM 0 HB2 PHE A 107 8.189 -1.302 5.261 1.00 0.27 H new ATOM 0 HB3 PHE A 107 8.078 0.310 5.939 1.00 0.27 H new ATOM 0 HD1 PHE A 107 10.262 -2.724 5.823 1.00 0.21 H new ATOM 0 HD2 PHE A 107 10.031 1.493 6.599 1.00 0.22 H new ATOM 0 HE1 PHE A 107 12.735 -2.618 5.959 1.00 0.19 H new ATOM 0 HE2 PHE A 107 12.509 1.601 6.731 1.00 0.20 H new ATOM 0 HZ PHE A 107 13.857 -0.454 6.415 1.00 0.19 H new ATOM 1787 N ASN A 108 6.938 0.545 8.656 1.00 0.10 N ATOM 1788 CA ASN A 108 5.832 1.420 9.139 1.00 0.20 C ATOM 1789 C ASN A 108 6.362 2.855 9.196 1.00 0.27 C ATOM 1790 O ASN A 108 7.502 3.078 9.539 1.00 0.30 O ATOM 1791 CB ASN A 108 5.384 0.972 10.532 1.00 0.26 C ATOM 1792 CG ASN A 108 5.241 -0.551 10.554 1.00 1.48 C ATOM 1793 OD1 ASN A 108 6.212 -1.262 10.735 1.00 3.83 O ATOM 1794 ND2 ASN A 108 4.065 -1.089 10.376 1.00 0.46 N ATOM 0 H ASN A 108 7.863 0.805 8.998 1.00 0.10 H new ATOM 0 HA ASN A 108 4.976 1.358 8.468 1.00 0.20 H new ATOM 0 HB2 ASN A 108 6.110 1.291 11.280 1.00 0.26 H new ATOM 0 HB3 ASN A 108 4.434 1.441 10.789 1.00 0.26 H new ATOM 0 HD21 ASN A 108 3.961 -2.104 10.389 1.00 0.46 H new ATOM 0 HD22 ASN A 108 3.250 -0.495 10.224 1.00 0.46 H new ATOM 1801 N GLU A 109 5.557 3.826 8.850 1.00 0.30 N ATOM 1802 CA GLU A 109 6.038 5.245 8.848 1.00 0.37 C ATOM 1803 C GLU A 109 6.461 5.703 10.246 1.00 0.39 C ATOM 1804 O GLU A 109 6.951 6.803 10.417 1.00 0.44 O ATOM 1805 CB GLU A 109 4.924 6.157 8.335 1.00 0.40 C ATOM 1806 CG GLU A 109 5.420 6.926 7.107 1.00 0.79 C ATOM 1807 CD GLU A 109 5.048 8.403 7.247 1.00 1.02 C ATOM 1808 OE1 GLU A 109 3.959 8.761 6.831 1.00 0.52 O ATOM 1809 OE2 GLU A 109 5.860 9.152 7.763 1.00 2.67 O ATOM 0 H GLU A 109 4.585 3.700 8.568 1.00 0.30 H new ATOM 0 HA GLU A 109 6.909 5.303 8.196 1.00 0.37 H new ATOM 0 HB2 GLU A 109 4.045 5.566 8.077 1.00 0.40 H new ATOM 0 HB3 GLU A 109 4.621 6.854 9.116 1.00 0.40 H new ATOM 0 HG2 GLU A 109 6.500 6.820 7.010 1.00 0.79 H new ATOM 0 HG3 GLU A 109 4.976 6.512 6.202 1.00 0.79 H new ATOM 1816 N ARG A 110 6.307 4.883 11.245 1.00 0.38 N ATOM 1817 CA ARG A 110 6.736 5.298 12.608 1.00 0.42 C ATOM 1818 C ARG A 110 8.240 5.044 12.764 1.00 0.39 C ATOM 1819 O ARG A 110 8.753 4.988 13.863 1.00 0.42 O ATOM 1820 CB ARG A 110 5.972 4.482 13.654 1.00 0.46 C ATOM 1821 CG ARG A 110 4.486 4.844 13.607 1.00 1.16 C ATOM 1822 CD ARG A 110 3.656 3.577 13.386 1.00 2.16 C ATOM 1823 NE ARG A 110 3.927 2.604 14.483 1.00 3.18 N ATOM 1824 CZ ARG A 110 3.358 1.429 14.467 1.00 3.88 C ATOM 1825 NH1 ARG A 110 2.998 0.893 13.332 1.00 4.17 N ATOM 1826 NH2 ARG A 110 3.145 0.791 15.586 1.00 4.56 N ATOM 0 H ARG A 110 5.905 3.948 11.178 1.00 0.38 H new ATOM 0 HA ARG A 110 6.526 6.358 12.750 1.00 0.42 H new ATOM 0 HB2 ARG A 110 6.103 3.417 13.464 1.00 0.46 H new ATOM 0 HB3 ARG A 110 6.373 4.680 14.648 1.00 0.46 H new ATOM 0 HG2 ARG A 110 4.189 5.327 14.538 1.00 1.16 H new ATOM 0 HG3 ARG A 110 4.300 5.557 12.804 1.00 1.16 H new ATOM 0 HD2 ARG A 110 2.595 3.825 13.360 1.00 2.16 H new ATOM 0 HD3 ARG A 110 3.903 3.132 12.422 1.00 2.16 H new ATOM 0 HE ARG A 110 4.556 2.856 15.245 1.00 3.18 H new ATOM 0 HH11 ARG A 110 3.161 1.392 12.458 1.00 4.17 H new ATOM 0 HH12 ARG A 110 2.554 -0.025 13.320 1.00 4.17 H new ATOM 0 HH21 ARG A 110 3.423 1.211 16.473 1.00 4.56 H new ATOM 0 HH22 ARG A 110 2.700 -0.127 15.573 1.00 4.56 H new ATOM 1840 N GLY A 111 8.950 4.867 11.676 1.00 0.33 N ATOM 1841 CA GLY A 111 10.411 4.592 11.781 1.00 0.29 C ATOM 1842 C GLY A 111 10.590 3.244 12.448 1.00 0.31 C ATOM 1843 O GLY A 111 11.594 2.973 13.075 1.00 0.39 O ATOM 0 H GLY A 111 8.580 4.901 10.726 1.00 0.33 H new ATOM 0 HA2 GLY A 111 10.870 4.591 10.792 1.00 0.29 H new ATOM 0 HA3 GLY A 111 10.904 5.372 12.361 1.00 0.29 H new ATOM 1847 N TYR A 112 9.621 2.388 12.305 1.00 0.29 N ATOM 1848 CA TYR A 112 9.743 1.050 12.916 1.00 0.36 C ATOM 1849 C TYR A 112 9.493 -0.012 11.857 1.00 0.23 C ATOM 1850 O TYR A 112 8.379 -0.251 11.434 1.00 0.18 O ATOM 1851 CB TYR A 112 8.730 0.894 14.047 1.00 0.53 C ATOM 1852 CG TYR A 112 9.420 0.266 15.233 1.00 0.87 C ATOM 1853 CD1 TYR A 112 10.135 1.067 16.132 1.00 1.09 C ATOM 1854 CD2 TYR A 112 9.356 -1.119 15.427 1.00 1.13 C ATOM 1855 CE1 TYR A 112 10.783 0.483 17.225 1.00 1.46 C ATOM 1856 CE2 TYR A 112 10.004 -1.702 16.521 1.00 1.55 C ATOM 1857 CZ TYR A 112 10.718 -0.902 17.421 1.00 1.68 C ATOM 1858 OH TYR A 112 11.356 -1.478 18.499 1.00 2.09 O ATOM 0 H TYR A 112 8.756 2.560 11.793 1.00 0.29 H new ATOM 0 HA TYR A 112 10.747 0.933 13.323 1.00 0.36 H new ATOM 0 HB2 TYR A 112 8.317 1.865 14.321 1.00 0.53 H new ATOM 0 HB3 TYR A 112 7.895 0.273 13.723 1.00 0.53 H new ATOM 0 HD1 TYR A 112 10.186 2.135 15.981 1.00 1.09 H new ATOM 0 HD2 TYR A 112 8.807 -1.737 14.732 1.00 1.13 H new ATOM 0 HE1 TYR A 112 11.334 1.101 17.919 1.00 1.46 H new ATOM 0 HE2 TYR A 112 9.953 -2.770 16.671 1.00 1.55 H new ATOM 0 HH TYR A 112 11.209 -2.447 18.487 1.00 2.09 H new ATOM 1868 N ALA A 113 10.532 -0.672 11.463 1.00 0.25 N ATOM 1869 CA ALA A 113 10.412 -1.759 10.465 1.00 0.23 C ATOM 1870 C ALA A 113 10.849 -3.020 11.178 1.00 0.29 C ATOM 1871 O ALA A 113 11.826 -3.013 11.899 1.00 0.36 O ATOM 1872 CB ALA A 113 11.332 -1.490 9.271 1.00 0.25 C ATOM 0 H ALA A 113 11.481 -0.502 11.796 1.00 0.25 H new ATOM 0 HA ALA A 113 9.395 -1.839 10.082 1.00 0.23 H new ATOM 0 HB1 ALA A 113 11.233 -2.298 8.546 1.00 0.25 H new ATOM 0 HB2 ALA A 113 11.054 -0.546 8.803 1.00 0.25 H new ATOM 0 HB3 ALA A 113 12.365 -1.435 9.613 1.00 0.25 H new ATOM 1878 N LYS A 114 10.150 -4.094 11.032 1.00 0.28 N ATOM 1879 CA LYS A 114 10.589 -5.297 11.777 1.00 0.35 C ATOM 1880 C LYS A 114 11.361 -6.223 10.846 1.00 0.42 C ATOM 1881 O LYS A 114 10.930 -6.545 9.760 1.00 0.43 O ATOM 1882 CB LYS A 114 9.354 -6.027 12.319 1.00 0.34 C ATOM 1883 CG LYS A 114 9.148 -5.670 13.793 1.00 0.58 C ATOM 1884 CD LYS A 114 8.407 -4.333 13.899 1.00 2.08 C ATOM 1885 CE LYS A 114 7.085 -4.537 14.643 1.00 1.56 C ATOM 1886 NZ LYS A 114 6.730 -3.290 15.377 1.00 1.15 N ATOM 0 H LYS A 114 9.319 -4.197 10.450 1.00 0.28 H new ATOM 0 HA LYS A 114 11.235 -5.002 12.603 1.00 0.35 H new ATOM 0 HB2 LYS A 114 8.473 -5.749 11.741 1.00 0.34 H new ATOM 0 HB3 LYS A 114 9.480 -7.104 12.210 1.00 0.34 H new ATOM 0 HG2 LYS A 114 8.578 -6.454 14.291 1.00 0.58 H new ATOM 0 HG3 LYS A 114 10.111 -5.605 14.300 1.00 0.58 H new ATOM 0 HD2 LYS A 114 9.024 -3.605 14.425 1.00 2.08 H new ATOM 0 HD3 LYS A 114 8.218 -3.931 12.904 1.00 2.08 H new ATOM 0 HE2 LYS A 114 6.295 -4.794 13.938 1.00 1.56 H new ATOM 0 HE3 LYS A 114 7.173 -5.370 15.341 1.00 1.56 H new ATOM 0 HZ1 LYS A 114 6.216 -3.534 16.248 1.00 1.15 H new ATOM 0 HZ2 LYS A 114 7.598 -2.772 15.621 1.00 1.15 H new ATOM 0 HZ3 LYS A 114 6.128 -2.693 14.775 1.00 1.15 H new ATOM 1900 N VAL A 115 12.507 -6.660 11.279 1.00 0.46 N ATOM 1901 CA VAL A 115 13.324 -7.570 10.433 1.00 0.51 C ATOM 1902 C VAL A 115 13.440 -8.934 11.109 1.00 0.56 C ATOM 1903 O VAL A 115 13.787 -9.035 12.269 1.00 0.58 O ATOM 1904 CB VAL A 115 14.725 -6.982 10.257 1.00 0.50 C ATOM 1905 CG1 VAL A 115 15.710 -8.107 9.935 1.00 0.42 C ATOM 1906 CG2 VAL A 115 14.715 -5.970 9.109 1.00 0.67 C ATOM 0 H VAL A 115 12.915 -6.426 12.184 1.00 0.46 H new ATOM 0 HA VAL A 115 12.844 -7.682 9.461 1.00 0.51 H new ATOM 0 HB VAL A 115 15.028 -6.483 11.177 1.00 0.50 H new ATOM 0 HG11 VAL A 115 16.709 -7.691 9.809 1.00 0.42 H new ATOM 0 HG12 VAL A 115 15.718 -8.829 10.752 1.00 0.42 H new ATOM 0 HG13 VAL A 115 15.406 -8.605 9.014 1.00 0.42 H new ATOM 0 HG21 VAL A 115 15.714 -5.551 8.984 1.00 0.67 H new ATOM 0 HG22 VAL A 115 14.412 -6.468 8.188 1.00 0.67 H new ATOM 0 HG23 VAL A 115 14.012 -5.169 9.336 1.00 0.67 H new ATOM 1916 N LEU A 116 13.170 -9.988 10.390 1.00 0.57 N ATOM 1917 CA LEU A 116 13.286 -11.339 10.993 1.00 0.60 C ATOM 1918 C LEU A 116 14.534 -12.016 10.433 1.00 0.49 C ATOM 1919 O LEU A 116 14.677 -12.203 9.241 1.00 0.51 O ATOM 1920 CB LEU A 116 12.045 -12.167 10.664 1.00 0.67 C ATOM 1921 CG LEU A 116 11.245 -12.401 11.946 1.00 0.89 C ATOM 1922 CD1 LEU A 116 9.834 -12.862 11.590 1.00 1.35 C ATOM 1923 CD2 LEU A 116 11.930 -13.479 12.787 1.00 0.72 C ATOM 0 H LEU A 116 12.875 -9.970 9.414 1.00 0.57 H new ATOM 0 HA LEU A 116 13.366 -11.257 12.077 1.00 0.60 H new ATOM 0 HB2 LEU A 116 11.431 -11.648 9.927 1.00 0.67 H new ATOM 0 HB3 LEU A 116 12.335 -13.120 10.223 1.00 0.67 H new ATOM 0 HG LEU A 116 11.194 -11.472 12.514 1.00 0.89 H new ATOM 0 HD11 LEU A 116 9.264 -13.029 12.504 1.00 1.35 H new ATOM 0 HD12 LEU A 116 9.342 -12.097 10.990 1.00 1.35 H new ATOM 0 HD13 LEU A 116 9.887 -13.790 11.021 1.00 1.35 H new ATOM 0 HD21 LEU A 116 11.359 -13.645 13.701 1.00 0.72 H new ATOM 0 HD22 LEU A 116 11.981 -14.407 12.217 1.00 0.72 H new ATOM 0 HD23 LEU A 116 12.938 -13.154 13.043 1.00 0.72 H new ATOM 1935 N LEU A 117 15.445 -12.367 11.290 1.00 0.39 N ATOM 1936 CA LEU A 117 16.705 -13.013 10.836 1.00 0.24 C ATOM 1937 C LEU A 117 16.589 -14.501 11.032 1.00 0.06 C ATOM 1938 O LEU A 117 16.277 -14.979 12.106 1.00 0.26 O ATOM 1939 CB LEU A 117 17.850 -12.448 11.683 1.00 0.49 C ATOM 1940 CG LEU A 117 19.256 -12.969 11.272 1.00 0.25 C ATOM 1941 CD1 LEU A 117 19.301 -14.500 11.157 1.00 0.47 C ATOM 1942 CD2 LEU A 117 19.683 -12.343 9.942 1.00 0.32 C ATOM 0 H LEU A 117 15.371 -12.233 12.298 1.00 0.39 H new ATOM 0 HA LEU A 117 16.894 -12.815 9.781 1.00 0.24 H new ATOM 0 HB2 LEU A 117 17.841 -11.361 11.609 1.00 0.49 H new ATOM 0 HB3 LEU A 117 17.672 -12.698 12.729 1.00 0.49 H new ATOM 0 HG LEU A 117 19.948 -12.676 12.061 1.00 0.25 H new ATOM 0 HD11 LEU A 117 20.304 -14.814 10.868 1.00 0.47 H new ATOM 0 HD12 LEU A 117 19.045 -14.945 12.119 1.00 0.47 H new ATOM 0 HD13 LEU A 117 18.586 -14.829 10.403 1.00 0.47 H new ATOM 0 HD21 LEU A 117 20.669 -12.715 9.665 1.00 0.32 H new ATOM 0 HD22 LEU A 117 18.964 -12.609 9.167 1.00 0.32 H new ATOM 0 HD23 LEU A 117 19.721 -11.259 10.046 1.00 0.32 H new ATOM 1954 N GLY A 118 16.870 -15.248 10.017 1.00 0.13 N ATOM 1955 CA GLY A 118 16.803 -16.700 10.183 1.00 0.13 C ATOM 1956 C GLY A 118 18.152 -17.318 9.842 1.00 0.16 C ATOM 1957 O GLY A 118 18.543 -17.413 8.696 1.00 0.23 O ATOM 0 H GLY A 118 17.140 -14.916 9.091 1.00 0.13 H new ATOM 0 HA2 GLY A 118 16.528 -16.946 11.209 1.00 0.13 H new ATOM 0 HA3 GLY A 118 16.029 -17.114 9.537 1.00 0.13 H new ATOM 1961 N LEU A 119 18.821 -17.811 10.839 1.00 0.22 N ATOM 1962 CA LEU A 119 20.103 -18.510 10.609 1.00 0.23 C ATOM 1963 C LEU A 119 19.702 -19.903 10.171 1.00 0.24 C ATOM 1964 O LEU A 119 18.840 -20.522 10.760 1.00 0.35 O ATOM 1965 CB LEU A 119 20.935 -18.549 11.911 1.00 0.24 C ATOM 1966 CG LEU A 119 21.813 -19.821 12.005 1.00 0.41 C ATOM 1967 CD1 LEU A 119 21.000 -21.012 12.471 1.00 2.27 C ATOM 1968 CD2 LEU A 119 22.432 -20.143 10.651 1.00 2.52 C ATOM 0 H LEU A 119 18.529 -17.758 11.815 1.00 0.22 H new ATOM 0 HA LEU A 119 20.726 -18.014 9.865 1.00 0.23 H new ATOM 0 HB2 LEU A 119 21.572 -17.666 11.960 1.00 0.24 H new ATOM 0 HB3 LEU A 119 20.265 -18.507 12.770 1.00 0.24 H new ATOM 0 HG LEU A 119 22.601 -19.622 12.731 1.00 0.41 H new ATOM 0 HD11 LEU A 119 21.642 -21.891 12.528 1.00 2.27 H new ATOM 0 HD12 LEU A 119 20.582 -20.804 13.456 1.00 2.27 H new ATOM 0 HD13 LEU A 119 20.191 -21.199 11.765 1.00 2.27 H new ATOM 0 HD21 LEU A 119 23.046 -21.040 10.736 1.00 2.52 H new ATOM 0 HD22 LEU A 119 21.641 -20.312 9.920 1.00 2.52 H new ATOM 0 HD23 LEU A 119 23.053 -19.308 10.327 1.00 2.52 H new ATOM 1980 N ALA A 120 20.260 -20.399 9.135 1.00 0.41 N ATOM 1981 CA ALA A 120 19.833 -21.737 8.704 1.00 0.38 C ATOM 1982 C ALA A 120 21.032 -22.641 8.638 1.00 0.29 C ATOM 1983 O ALA A 120 22.045 -22.312 8.052 1.00 0.23 O ATOM 1984 CB ALA A 120 19.187 -21.652 7.333 1.00 0.39 C ATOM 0 H ALA A 120 20.982 -19.951 8.571 1.00 0.41 H new ATOM 0 HA ALA A 120 19.111 -22.135 9.417 1.00 0.38 H new ATOM 0 HB1 ALA A 120 18.872 -22.646 7.017 1.00 0.39 H new ATOM 0 HB2 ALA A 120 18.319 -20.994 7.380 1.00 0.39 H new ATOM 0 HB3 ALA A 120 19.906 -21.254 6.616 1.00 0.39 H new ATOM 1990 N ARG A 121 20.925 -23.796 9.200 1.00 0.28 N ATOM 1991 CA ARG A 121 22.066 -24.711 9.116 1.00 0.19 C ATOM 1992 C ARG A 121 21.778 -25.628 7.929 1.00 0.12 C ATOM 1993 O ARG A 121 20.871 -26.417 7.951 1.00 0.13 O ATOM 1994 CB ARG A 121 22.199 -25.501 10.422 1.00 0.26 C ATOM 1995 CG ARG A 121 20.845 -25.580 11.135 1.00 0.35 C ATOM 1996 CD ARG A 121 20.941 -26.587 12.284 1.00 0.49 C ATOM 1997 NE ARG A 121 20.209 -27.834 11.922 1.00 0.60 N ATOM 1998 CZ ARG A 121 20.173 -28.834 12.761 1.00 0.85 C ATOM 1999 NH1 ARG A 121 21.243 -29.157 13.436 1.00 1.01 N ATOM 2000 NH2 ARG A 121 19.071 -29.515 12.925 1.00 1.39 N ATOM 0 H ARG A 121 20.109 -24.140 9.706 1.00 0.28 H new ATOM 0 HA ARG A 121 23.010 -24.184 8.974 1.00 0.19 H new ATOM 0 HB2 ARG A 121 22.566 -26.505 10.212 1.00 0.26 H new ATOM 0 HB3 ARG A 121 22.932 -25.023 11.071 1.00 0.26 H new ATOM 0 HG2 ARG A 121 20.564 -24.599 11.518 1.00 0.35 H new ATOM 0 HG3 ARG A 121 20.068 -25.883 10.433 1.00 0.35 H new ATOM 0 HD2 ARG A 121 21.986 -26.815 12.494 1.00 0.49 H new ATOM 0 HD3 ARG A 121 20.520 -26.157 13.193 1.00 0.49 H new ATOM 0 HE ARG A 121 19.737 -27.906 11.021 1.00 0.60 H new ATOM 0 HH11 ARG A 121 22.106 -28.628 13.308 1.00 1.01 H new ATOM 0 HH12 ARG A 121 21.216 -29.938 14.092 1.00 1.01 H new ATOM 0 HH21 ARG A 121 18.235 -29.266 12.397 1.00 1.39 H new ATOM 0 HH22 ARG A 121 19.047 -30.295 13.581 1.00 1.39 H new ATOM 2014 N GLY A 122 22.517 -25.511 6.872 1.00 0.12 N ATOM 2015 CA GLY A 122 22.213 -26.361 5.681 1.00 0.20 C ATOM 2016 C GLY A 122 22.824 -25.726 4.434 1.00 2.58 C ATOM 2017 O GLY A 122 22.998 -26.371 3.419 1.00 3.16 O ATOM 0 H GLY A 122 23.309 -24.876 6.772 1.00 0.12 H new ATOM 0 HA2 GLY A 122 22.614 -27.364 5.825 1.00 0.20 H new ATOM 0 HA3 GLY A 122 21.135 -26.463 5.559 1.00 0.20 H new