USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot 130:sc= 0.0931 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.449 K(o=-0.36,f=-1.4) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.432 K(o=-0.41,f=-1.6) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 1 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.4!) USER MOD Single : A 1 GLN N :NH3+ -176:sc= -0.413 (180deg=-0.619) USER MOD Single : A 5 MET CE :methyl 171:sc= 0 (180deg=-0.0987) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00242) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.102 (180deg=-0.459) USER MOD Single : A 9 CYS SG : rot 170:sc= -0.287 USER MOD Single : A 14 THR OG1 : rot 69:sc= 1.06 USER MOD Single : A 17 CYS SG : rot -112:sc= 0.745 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.168 (180deg=-0.499) USER MOD Single : A 27 HIS : no HD1:sc= -0.0295 X(o=-0.029,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.3) USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.34 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.525 K(o=-0.52,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 97:sc= 1.17 USER MOD Single : A 80 THR OG1 : rot 111:sc= 1.27 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.560 0.249 -0.007 1.00 0.00 N ATOM 2 CA GLN A 1 1.349 0.398 -1.224 1.00 0.00 C ATOM 3 C GLN A 1 0.489 0.173 -2.463 1.00 0.00 C ATOM 4 O GLN A 1 0.948 -0.390 -3.456 1.00 0.00 O ATOM 5 CB GLN A 1 2.523 -0.583 -1.219 1.00 0.00 C ATOM 6 CG GLN A 1 3.574 -0.268 -0.167 1.00 0.00 C ATOM 7 CD GLN A 1 3.196 -0.784 1.208 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.715 -0.031 2.055 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.411 -2.074 1.437 1.00 0.00 N ATOM 0 H1 GLN A 1 1.151 0.473 0.819 1.00 0.00 H new ATOM 0 H2 GLN A 1 -0.252 0.898 -0.038 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.218 -0.730 0.067 1.00 0.00 H new ATOM 0 HA GLN A 1 1.735 1.417 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.143 -1.591 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.993 -0.580 -2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.526 -0.707 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.722 0.811 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.812 -2.662 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.175 -2.477 2.344 1.00 0.00 H new ATOM 18 N ARG A 2 -0.763 0.615 -2.396 1.00 0.00 N ATOM 19 CA ARG A 2 -1.689 0.460 -3.512 1.00 0.00 C ATOM 20 C ARG A 2 -1.148 1.141 -4.766 1.00 0.00 C ATOM 21 O ARG A 2 -1.205 0.582 -5.860 1.00 0.00 O ATOM 22 CB ARG A 2 -3.057 1.043 -3.152 1.00 0.00 C ATOM 23 CG ARG A 2 -3.000 2.490 -2.689 1.00 0.00 C ATOM 24 CD ARG A 2 -4.232 2.865 -1.881 1.00 0.00 C ATOM 25 NE ARG A 2 -5.416 3.012 -2.725 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.640 3.202 -2.246 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.841 3.268 -0.937 1.00 0.00 N ATOM 28 NH2 ARG A 2 -7.667 3.326 -3.078 1.00 0.00 N ATOM 0 H ARG A 2 -1.159 1.083 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.798 -0.605 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.712 0.974 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.506 0.436 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.106 2.645 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.917 3.147 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.417 2.101 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.047 3.799 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.296 2.966 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.054 3.173 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.782 3.414 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.516 3.275 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.607 3.472 -2.710 1.00 0.00 H new ATOM 42 N GLU A 3 -0.624 2.351 -4.596 1.00 0.00 N ATOM 43 CA GLU A 3 -0.074 3.108 -5.715 1.00 0.00 C ATOM 44 C GLU A 3 0.993 2.300 -6.447 1.00 0.00 C ATOM 45 O GLU A 3 1.126 2.390 -7.667 1.00 0.00 O ATOM 46 CB GLU A 3 0.519 4.430 -5.223 1.00 0.00 C ATOM 47 CG GLU A 3 1.661 4.255 -4.236 1.00 0.00 C ATOM 48 CD GLU A 3 1.878 5.482 -3.372 1.00 0.00 C ATOM 49 OE1 GLU A 3 2.066 6.580 -3.936 1.00 0.00 O ATOM 50 OE2 GLU A 3 1.860 5.343 -2.131 1.00 0.00 O ATOM 0 H GLU A 3 -0.569 2.827 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.886 3.319 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.876 5.000 -6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.269 5.019 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.455 3.397 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.578 4.033 -4.782 1.00 0.00 H new ATOM 57 N GLU A 4 1.752 1.512 -5.691 1.00 0.00 N ATOM 58 CA GLU A 4 2.809 0.689 -6.268 1.00 0.00 C ATOM 59 C GLU A 4 2.225 -0.380 -7.187 1.00 0.00 C ATOM 60 O GLU A 4 2.730 -0.612 -8.285 1.00 0.00 O ATOM 61 CB GLU A 4 3.634 0.030 -5.161 1.00 0.00 C ATOM 62 CG GLU A 4 4.320 1.025 -4.239 1.00 0.00 C ATOM 63 CD GLU A 4 5.294 1.925 -4.974 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.353 1.424 -5.408 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.998 3.130 -5.116 1.00 0.00 O ATOM 0 H GLU A 4 1.655 1.426 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 4 3.458 1.336 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.983 -0.613 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.389 -0.612 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.565 1.638 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.851 0.483 -3.456 1.00 0.00 H new ATOM 72 N MET A 5 1.160 -1.029 -6.729 1.00 0.00 N ATOM 73 CA MET A 5 0.507 -2.073 -7.510 1.00 0.00 C ATOM 74 C MET A 5 -0.111 -1.497 -8.779 1.00 0.00 C ATOM 75 O MET A 5 0.011 -2.075 -9.859 1.00 0.00 O ATOM 76 CB MET A 5 -0.569 -2.768 -6.674 1.00 0.00 C ATOM 77 CG MET A 5 -0.061 -3.285 -5.338 1.00 0.00 C ATOM 78 SD MET A 5 1.168 -4.591 -5.521 1.00 0.00 S ATOM 79 CE MET A 5 2.673 -3.694 -5.147 1.00 0.00 C ATOM 0 H MET A 5 0.731 -0.851 -5.821 1.00 0.00 H new ATOM 0 HA MET A 5 1.263 -2.804 -7.796 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.387 -2.070 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.979 -3.601 -7.245 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.373 -2.459 -4.775 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.902 -3.661 -4.755 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.503 -4.395 -5.061 1.00 0.00 H new ATOM 0 HE2 MET A 5 2.881 -2.982 -5.946 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.553 -3.158 -4.206 1.00 0.00 H new ATOM 89 N VAL A 6 -0.777 -0.354 -8.642 1.00 0.00 N ATOM 90 CA VAL A 6 -1.414 0.301 -9.778 1.00 0.00 C ATOM 91 C VAL A 6 -0.376 0.816 -10.769 1.00 0.00 C ATOM 92 O VAL A 6 -0.531 0.668 -11.981 1.00 0.00 O ATOM 93 CB VAL A 6 -2.301 1.476 -9.324 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.934 2.162 -10.524 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.366 0.993 -8.351 1.00 0.00 C ATOM 0 H VAL A 6 -0.889 0.137 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.038 -0.448 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.675 2.205 -8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.557 2.989 -10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.151 2.543 -11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.548 1.446 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.984 1.835 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.991 0.245 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.887 0.552 -7.477 1.00 0.00 H new ATOM 105 N LYS A 7 0.685 1.422 -10.245 1.00 0.00 N ATOM 106 CA LYS A 7 1.751 1.958 -11.081 1.00 0.00 C ATOM 107 C LYS A 7 2.430 0.847 -11.876 1.00 0.00 C ATOM 108 O LYS A 7 2.683 0.991 -13.073 1.00 0.00 O ATOM 109 CB LYS A 7 2.785 2.688 -10.221 1.00 0.00 C ATOM 110 CG LYS A 7 2.444 4.147 -9.967 1.00 0.00 C ATOM 111 CD LYS A 7 3.599 4.883 -9.309 1.00 0.00 C ATOM 112 CE LYS A 7 4.648 5.299 -10.328 1.00 0.00 C ATOM 113 NZ LYS A 7 4.230 6.506 -11.093 1.00 0.00 N ATOM 0 H LYS A 7 0.828 1.554 -9.244 1.00 0.00 H new ATOM 0 HA LYS A 7 1.307 2.664 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.878 2.173 -9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.758 2.631 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.192 4.632 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.561 4.210 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.222 5.766 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.057 4.243 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.590 5.501 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.830 4.476 -11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.986 6.778 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.363 6.295 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.049 7.289 -10.433 1.00 0.00 H new ATOM 127 N LYS A 8 2.722 -0.261 -11.205 1.00 0.00 N ATOM 128 CA LYS A 8 3.369 -1.399 -11.848 1.00 0.00 C ATOM 129 C LYS A 8 2.460 -2.014 -12.908 1.00 0.00 C ATOM 130 O LYS A 8 2.894 -2.288 -14.027 1.00 0.00 O ATOM 131 CB LYS A 8 3.743 -2.455 -10.806 1.00 0.00 C ATOM 132 CG LYS A 8 4.957 -3.284 -11.189 1.00 0.00 C ATOM 133 CD LYS A 8 4.565 -4.499 -12.013 1.00 0.00 C ATOM 134 CE LYS A 8 5.773 -5.366 -12.337 1.00 0.00 C ATOM 135 NZ LYS A 8 6.478 -5.817 -11.105 1.00 0.00 N ATOM 0 H LYS A 8 2.521 -0.396 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 8 4.276 -1.042 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.936 -1.961 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.893 -3.120 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.655 -2.668 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.477 -3.607 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.829 -5.088 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.090 -4.174 -12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.453 -6.235 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.464 -4.805 -12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.101 -6.618 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.047 -5.034 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.779 -6.115 -10.394 1.00 0.00 H new ATOM 149 N CYS A 9 1.199 -2.226 -12.548 1.00 0.00 N ATOM 150 CA CYS A 9 0.229 -2.808 -13.469 1.00 0.00 C ATOM 151 C CYS A 9 0.123 -1.977 -14.743 1.00 0.00 C ATOM 152 O CYS A 9 0.167 -2.513 -15.852 1.00 0.00 O ATOM 153 CB CYS A 9 -1.142 -2.914 -12.799 1.00 0.00 C ATOM 154 SG CYS A 9 -2.319 -3.959 -13.688 1.00 0.00 S ATOM 0 H CYS A 9 0.824 -2.004 -11.626 1.00 0.00 H new ATOM 0 HA CYS A 9 0.573 -3.807 -13.736 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.012 -3.308 -11.791 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.564 -1.914 -12.699 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.367 -4.160 -12.946 1.00 0.00 H new ATOM 160 N LEU A 10 -0.019 -0.667 -14.579 1.00 0.00 N ATOM 161 CA LEU A 10 -0.134 0.239 -15.716 1.00 0.00 C ATOM 162 C LEU A 10 1.139 0.221 -16.557 1.00 0.00 C ATOM 163 O LEU A 10 1.083 0.166 -17.785 1.00 0.00 O ATOM 164 CB LEU A 10 -0.419 1.662 -15.233 1.00 0.00 C ATOM 165 CG LEU A 10 -1.793 1.894 -14.603 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.824 3.224 -13.866 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.882 1.845 -15.665 1.00 0.00 C ATOM 0 H LEU A 10 -0.057 -0.208 -13.669 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.963 -0.100 -16.337 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.344 1.937 -14.504 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.310 2.340 -16.079 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.980 1.098 -13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.809 3.372 -13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.070 3.221 -13.079 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.615 4.033 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.853 2.012 -15.199 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.699 2.620 -16.410 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.875 0.868 -16.148 1.00 0.00 H new ATOM 179 N GLY A 11 2.286 0.266 -15.886 1.00 0.00 N ATOM 180 CA GLY A 11 3.556 0.251 -16.588 1.00 0.00 C ATOM 181 C GLY A 11 3.704 -0.953 -17.496 1.00 0.00 C ATOM 182 O GLY A 11 4.035 -0.814 -18.672 1.00 0.00 O ATOM 0 H GLY A 11 2.358 0.313 -14.870 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.651 1.162 -17.179 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.369 0.256 -15.862 1.00 0.00 H new ATOM 186 N GLU A 12 3.458 -2.139 -16.947 1.00 0.00 N ATOM 187 CA GLU A 12 3.568 -3.373 -17.716 1.00 0.00 C ATOM 188 C GLU A 12 2.441 -3.479 -18.739 1.00 0.00 C ATOM 189 O GLU A 12 2.657 -3.897 -19.878 1.00 0.00 O ATOM 190 CB GLU A 12 3.541 -4.586 -16.783 1.00 0.00 C ATOM 191 CG GLU A 12 4.914 -4.997 -16.279 1.00 0.00 C ATOM 192 CD GLU A 12 5.868 -5.349 -17.404 1.00 0.00 C ATOM 193 OE1 GLU A 12 5.785 -6.484 -17.919 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.697 -4.489 -17.770 1.00 0.00 O ATOM 0 H GLU A 12 3.182 -2.271 -15.974 1.00 0.00 H new ATOM 0 HA GLU A 12 4.519 -3.355 -18.249 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.902 -4.363 -15.929 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.089 -5.428 -17.308 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.338 -4.185 -15.689 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.811 -5.854 -15.614 1.00 0.00 H new ATOM 201 N LEU A 13 1.237 -3.099 -18.325 1.00 0.00 N ATOM 202 CA LEU A 13 0.074 -3.151 -19.204 1.00 0.00 C ATOM 203 C LEU A 13 0.329 -2.374 -20.491 1.00 0.00 C ATOM 204 O LEU A 13 -0.030 -2.821 -21.582 1.00 0.00 O ATOM 205 CB LEU A 13 -1.156 -2.588 -18.490 1.00 0.00 C ATOM 206 CG LEU A 13 -1.987 -3.593 -17.691 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.133 -2.891 -16.979 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.515 -4.691 -18.601 1.00 0.00 C ATOM 0 H LEU A 13 1.041 -2.752 -17.386 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.109 -4.194 -19.461 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.829 -1.798 -17.814 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.802 -2.123 -19.234 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.344 -4.050 -16.939 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.713 -3.622 -16.416 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.733 -2.141 -16.296 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.775 -2.406 -17.714 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.104 -5.397 -18.015 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.142 -4.251 -19.376 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.678 -5.213 -19.064 1.00 0.00 H new ATOM 220 N THR A 14 0.953 -1.208 -20.359 1.00 0.00 N ATOM 221 CA THR A 14 1.258 -0.368 -21.511 1.00 0.00 C ATOM 222 C THR A 14 2.137 -1.108 -22.513 1.00 0.00 C ATOM 223 O THR A 14 1.937 -1.003 -23.722 1.00 0.00 O ATOM 224 CB THR A 14 1.965 0.933 -21.086 1.00 0.00 C ATOM 225 OG1 THR A 14 1.145 1.657 -20.163 1.00 0.00 O ATOM 226 CG2 THR A 14 2.267 1.804 -22.296 1.00 0.00 C ATOM 0 H THR A 14 1.257 -0.823 -19.465 1.00 0.00 H new ATOM 0 HA THR A 14 0.307 -0.118 -21.981 1.00 0.00 H new ATOM 0 HB THR A 14 2.906 0.669 -20.604 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.095 1.167 -19.316 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.766 2.717 -21.972 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.916 1.260 -22.983 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.336 2.060 -22.802 1.00 0.00 H new ATOM 234 N GLU A 15 3.110 -1.856 -22.001 1.00 0.00 N ATOM 235 CA GLU A 15 4.019 -2.612 -22.853 1.00 0.00 C ATOM 236 C GLU A 15 3.285 -3.750 -23.557 1.00 0.00 C ATOM 237 O GLU A 15 3.402 -3.923 -24.771 1.00 0.00 O ATOM 238 CB GLU A 15 5.179 -3.173 -22.028 1.00 0.00 C ATOM 239 CG GLU A 15 6.041 -2.101 -21.382 1.00 0.00 C ATOM 240 CD GLU A 15 7.478 -2.545 -21.189 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.702 -3.758 -20.993 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.378 -1.681 -21.233 1.00 0.00 O ATOM 0 H GLU A 15 3.288 -1.954 -21.001 1.00 0.00 H new ATOM 0 HA GLU A 15 4.415 -1.934 -23.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.779 -3.823 -21.250 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.805 -3.792 -22.671 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.022 -1.204 -22.000 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.615 -1.831 -20.416 1.00 0.00 H new ATOM 249 N VAL A 16 2.528 -4.524 -22.787 1.00 0.00 N ATOM 250 CA VAL A 16 1.774 -5.645 -23.335 1.00 0.00 C ATOM 251 C VAL A 16 0.761 -5.172 -24.371 1.00 0.00 C ATOM 252 O VAL A 16 0.661 -5.738 -25.460 1.00 0.00 O ATOM 253 CB VAL A 16 1.035 -6.420 -22.227 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.247 -7.578 -22.820 1.00 0.00 C ATOM 255 CG2 VAL A 16 2.018 -6.916 -21.178 1.00 0.00 C ATOM 0 H VAL A 16 2.420 -4.395 -21.781 1.00 0.00 H new ATOM 0 HA VAL A 16 2.495 -6.308 -23.813 1.00 0.00 H new ATOM 0 HB VAL A 16 0.331 -5.743 -21.742 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.268 -8.114 -22.023 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.485 -7.194 -23.531 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.928 -8.257 -23.332 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.479 -7.461 -20.403 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.747 -7.577 -21.646 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.534 -6.066 -20.732 1.00 0.00 H new ATOM 265 N CYS A 17 0.012 -4.130 -24.026 1.00 0.00 N ATOM 266 CA CYS A 17 -0.995 -3.580 -24.926 1.00 0.00 C ATOM 267 C CYS A 17 -0.341 -2.956 -26.155 1.00 0.00 C ATOM 268 O CYS A 17 -0.873 -3.035 -27.262 1.00 0.00 O ATOM 269 CB CYS A 17 -1.843 -2.536 -24.199 1.00 0.00 C ATOM 270 SG CYS A 17 -2.834 -3.206 -22.842 1.00 0.00 S ATOM 0 H CYS A 17 0.083 -3.649 -23.129 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.639 -4.396 -25.254 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.187 -1.759 -23.807 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.508 -2.058 -24.919 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.095 -3.134 -23.149 1.00 0.00 H new ATOM 276 N LYS A 18 0.814 -2.332 -25.952 1.00 0.00 N ATOM 277 CA LYS A 18 1.541 -1.693 -27.042 1.00 0.00 C ATOM 278 C LYS A 18 1.980 -2.721 -28.080 1.00 0.00 C ATOM 279 O LYS A 18 1.794 -2.523 -29.281 1.00 0.00 O ATOM 280 CB LYS A 18 2.762 -0.947 -26.500 1.00 0.00 C ATOM 281 CG LYS A 18 3.619 -0.314 -27.583 1.00 0.00 C ATOM 282 CD LYS A 18 4.743 0.519 -26.989 1.00 0.00 C ATOM 283 CE LYS A 18 5.782 -0.356 -26.304 1.00 0.00 C ATOM 284 NZ LYS A 18 6.955 0.436 -25.842 1.00 0.00 N ATOM 0 H LYS A 18 1.267 -2.255 -25.041 1.00 0.00 H new ATOM 0 HA LYS A 18 0.871 -0.980 -27.523 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.427 -0.170 -25.813 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.374 -1.640 -25.923 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.039 -1.094 -28.218 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.997 0.314 -28.220 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.220 1.103 -27.776 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.332 1.228 -26.270 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.327 -0.862 -25.452 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.116 -1.131 -26.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.640 -0.196 -25.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.405 0.898 -26.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.640 1.159 -25.164 1.00 0.00 H new ATOM 298 N SER A 19 2.561 -3.819 -27.610 1.00 0.00 N ATOM 299 CA SER A 19 3.028 -4.878 -28.498 1.00 0.00 C ATOM 300 C SER A 19 1.855 -5.557 -29.197 1.00 0.00 C ATOM 301 O SER A 19 1.882 -5.776 -30.409 1.00 0.00 O ATOM 302 CB SER A 19 3.837 -5.912 -27.712 1.00 0.00 C ATOM 303 OG SER A 19 4.720 -6.622 -28.563 1.00 0.00 O ATOM 0 H SER A 19 2.720 -3.999 -26.619 1.00 0.00 H new ATOM 0 HA SER A 19 3.668 -4.427 -29.256 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.406 -5.413 -26.927 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.160 -6.611 -27.220 1.00 0.00 H new ATOM 0 HG SER A 19 5.227 -7.275 -28.037 1.00 0.00 H new ATOM 309 N LEU A 20 0.826 -5.889 -28.425 1.00 0.00 N ATOM 310 CA LEU A 20 -0.359 -6.544 -28.969 1.00 0.00 C ATOM 311 C LEU A 20 -1.015 -5.680 -30.041 1.00 0.00 C ATOM 312 O LEU A 20 -1.438 -6.179 -31.083 1.00 0.00 O ATOM 313 CB LEU A 20 -1.361 -6.839 -27.851 1.00 0.00 C ATOM 314 CG LEU A 20 -1.387 -8.278 -27.337 1.00 0.00 C ATOM 315 CD1 LEU A 20 -0.006 -8.701 -26.863 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.406 -8.425 -26.216 1.00 0.00 C ATOM 0 H LEU A 20 0.788 -5.716 -27.421 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.047 -7.483 -29.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.144 -6.178 -27.012 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.359 -6.584 -28.208 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.682 -8.931 -28.158 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.045 -9.728 -26.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.699 -8.635 -27.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.319 -8.044 -26.056 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.411 -9.456 -25.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.141 -7.760 -25.394 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.397 -8.164 -26.588 1.00 0.00 H new ATOM 328 N GLY A 21 -1.095 -4.379 -29.778 1.00 0.00 N ATOM 329 CA GLY A 21 -1.699 -3.465 -30.731 1.00 0.00 C ATOM 330 C GLY A 21 -0.842 -3.263 -31.964 1.00 0.00 C ATOM 331 O GLY A 21 -1.358 -3.129 -33.074 1.00 0.00 O ATOM 0 H GLY A 21 -0.753 -3.942 -28.923 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.675 -3.849 -31.029 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.869 -2.502 -30.249 1.00 0.00 H new ATOM 335 N LYS A 22 0.473 -3.240 -31.772 1.00 0.00 N ATOM 336 CA LYS A 22 1.405 -3.052 -32.877 1.00 0.00 C ATOM 337 C LYS A 22 1.309 -4.205 -33.872 1.00 0.00 C ATOM 338 O LYS A 22 1.243 -3.990 -35.082 1.00 0.00 O ATOM 339 CB LYS A 22 2.837 -2.938 -32.350 1.00 0.00 C ATOM 340 CG LYS A 22 3.248 -1.516 -32.009 1.00 0.00 C ATOM 341 CD LYS A 22 4.738 -1.301 -32.218 1.00 0.00 C ATOM 342 CE LYS A 22 5.524 -1.572 -30.944 1.00 0.00 C ATOM 343 NZ LYS A 22 5.652 -0.351 -30.101 1.00 0.00 N ATOM 0 H LYS A 22 0.917 -3.349 -30.860 1.00 0.00 H new ATOM 0 HA LYS A 22 1.139 -2.128 -33.391 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.939 -3.560 -31.461 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.523 -3.336 -33.097 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.688 -0.816 -32.629 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.990 -1.300 -30.972 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.093 -1.957 -33.013 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.917 -0.277 -32.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.030 -2.358 -30.373 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.517 -1.941 -31.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.010 -0.614 -29.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.315 0.313 -30.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.721 0.102 -30.003 1.00 0.00 H new ATOM 357 N VAL A 23 1.299 -5.429 -33.353 1.00 0.00 N ATOM 358 CA VAL A 23 1.208 -6.615 -34.196 1.00 0.00 C ATOM 359 C VAL A 23 -0.177 -6.741 -34.821 1.00 0.00 C ATOM 360 O VAL A 23 -0.312 -7.118 -35.985 1.00 0.00 O ATOM 361 CB VAL A 23 1.517 -7.896 -33.397 1.00 0.00 C ATOM 362 CG1 VAL A 23 2.957 -7.887 -32.908 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.550 -8.042 -32.231 1.00 0.00 C ATOM 0 H VAL A 23 1.353 -5.625 -32.353 1.00 0.00 H new ATOM 0 HA VAL A 23 1.950 -6.500 -34.986 1.00 0.00 H new ATOM 0 HB VAL A 23 1.389 -8.754 -34.056 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.156 -8.799 -32.346 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.631 -7.833 -33.763 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.117 -7.022 -32.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.782 -8.952 -31.677 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.645 -7.181 -31.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.471 -8.098 -32.610 1.00 0.00 H new ATOM 373 N PHE A 24 -1.203 -6.421 -34.040 1.00 0.00 N ATOM 374 CA PHE A 24 -2.579 -6.497 -34.516 1.00 0.00 C ATOM 375 C PHE A 24 -2.924 -5.287 -35.380 1.00 0.00 C ATOM 376 O PHE A 24 -4.004 -5.217 -35.966 1.00 0.00 O ATOM 377 CB PHE A 24 -3.547 -6.587 -33.334 1.00 0.00 C ATOM 378 CG PHE A 24 -3.635 -7.961 -32.734 1.00 0.00 C ATOM 379 CD1 PHE A 24 -3.803 -9.074 -33.542 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.548 -8.140 -31.363 1.00 0.00 C ATOM 381 CE1 PHE A 24 -3.885 -10.340 -32.992 1.00 0.00 C ATOM 382 CE2 PHE A 24 -3.629 -9.403 -30.808 1.00 0.00 C ATOM 383 CZ PHE A 24 -3.797 -10.504 -31.624 1.00 0.00 C ATOM 0 H PHE A 24 -1.108 -6.106 -33.074 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.676 -7.396 -35.125 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.234 -5.882 -32.564 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.539 -6.279 -33.663 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.871 -8.951 -34.613 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.415 -7.282 -30.720 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.018 -11.200 -33.632 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.561 -9.529 -29.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.859 -11.492 -31.193 1.00 0.00 H new ATOM 393 N GLY A 25 -1.998 -4.336 -35.453 1.00 0.00 N ATOM 394 CA GLY A 25 -2.222 -3.142 -36.245 1.00 0.00 C ATOM 395 C GLY A 25 -3.398 -2.326 -35.745 1.00 0.00 C ATOM 396 O GLY A 25 -4.365 -2.106 -36.475 1.00 0.00 O ATOM 0 H GLY A 25 -1.096 -4.372 -34.977 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.323 -2.526 -36.229 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.396 -3.426 -37.283 1.00 0.00 H new ATOM 400 N VAL A 26 -3.317 -1.878 -34.497 1.00 0.00 N ATOM 401 CA VAL A 26 -4.382 -1.082 -33.899 1.00 0.00 C ATOM 402 C VAL A 26 -3.832 -0.129 -32.844 1.00 0.00 C ATOM 403 O VAL A 26 -3.056 -0.529 -31.975 1.00 0.00 O ATOM 404 CB VAL A 26 -5.457 -1.978 -33.255 1.00 0.00 C ATOM 405 CG1 VAL A 26 -4.810 -3.067 -32.413 1.00 0.00 C ATOM 406 CG2 VAL A 26 -6.414 -1.143 -32.417 1.00 0.00 C ATOM 0 H VAL A 26 -2.524 -2.053 -33.880 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.835 -0.504 -34.704 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.029 -2.458 -34.049 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.585 -3.690 -31.966 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.169 -3.682 -33.044 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.212 -2.610 -31.624 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.167 -1.792 -31.970 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.859 -0.634 -31.629 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.903 -0.404 -33.051 1.00 0.00 H new ATOM 416 N HIS A 27 -4.238 1.134 -32.926 1.00 0.00 N ATOM 417 CA HIS A 27 -3.786 2.146 -31.978 1.00 0.00 C ATOM 418 C HIS A 27 -4.060 1.706 -30.543 1.00 0.00 C ATOM 419 O HIS A 27 -5.012 0.971 -30.280 1.00 0.00 O ATOM 420 CB HIS A 27 -4.477 3.481 -32.255 1.00 0.00 C ATOM 421 CG HIS A 27 -3.935 4.198 -33.453 1.00 0.00 C ATOM 422 ND1 HIS A 27 -4.386 5.437 -33.856 1.00 0.00 N ATOM 423 CD2 HIS A 27 -2.971 3.845 -34.336 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.726 5.814 -34.936 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.860 4.866 -35.247 1.00 0.00 N ATOM 0 H HIS A 27 -4.879 1.481 -33.639 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.710 2.270 -32.103 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.543 3.306 -32.398 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.374 4.123 -31.380 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.396 2.931 -34.326 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.870 6.740 -35.473 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.214 4.889 -36.036 1.00 0.00 H new ATOM 433 N TYR A 28 -3.220 2.159 -29.619 1.00 0.00 N ATOM 434 CA TYR A 28 -3.371 1.810 -28.212 1.00 0.00 C ATOM 435 C TYR A 28 -4.708 2.303 -27.668 1.00 0.00 C ATOM 436 O TYR A 28 -5.336 1.643 -26.839 1.00 0.00 O ATOM 437 CB TYR A 28 -2.224 2.404 -27.392 1.00 0.00 C ATOM 438 CG TYR A 28 -2.135 3.911 -27.479 1.00 0.00 C ATOM 439 CD1 TYR A 28 -2.825 4.720 -26.584 1.00 0.00 C ATOM 440 CD2 TYR A 28 -1.361 4.526 -28.455 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.747 6.097 -26.660 1.00 0.00 C ATOM 442 CE2 TYR A 28 -1.276 5.902 -28.538 1.00 0.00 C ATOM 443 CZ TYR A 28 -1.971 6.684 -27.638 1.00 0.00 C ATOM 444 OH TYR A 28 -1.890 8.055 -27.717 1.00 0.00 O ATOM 0 H TYR A 28 -2.427 2.769 -29.819 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.344 0.723 -28.129 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.347 2.115 -26.348 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.283 1.972 -27.733 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.432 4.264 -25.816 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.816 3.917 -29.161 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.291 6.711 -25.957 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.669 6.363 -29.303 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.302 8.306 -28.460 1.00 0.00 H new ATOM 454 N PHE A 29 -5.139 3.467 -28.141 1.00 0.00 N ATOM 455 CA PHE A 29 -6.402 4.051 -27.703 1.00 0.00 C ATOM 456 C PHE A 29 -7.585 3.242 -28.228 1.00 0.00 C ATOM 457 O PHE A 29 -8.676 3.280 -27.661 1.00 0.00 O ATOM 458 CB PHE A 29 -6.510 5.501 -28.178 1.00 0.00 C ATOM 459 CG PHE A 29 -6.648 6.490 -27.056 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.575 6.288 -26.046 1.00 0.00 C ATOM 461 CD2 PHE A 29 -5.850 7.622 -27.011 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.704 7.197 -25.013 1.00 0.00 C ATOM 463 CE2 PHE A 29 -5.974 8.534 -25.980 1.00 0.00 C ATOM 464 CZ PHE A 29 -6.902 8.321 -24.979 1.00 0.00 C ATOM 0 H PHE A 29 -4.632 4.025 -28.828 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.425 4.031 -26.613 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.625 5.750 -28.764 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.369 5.594 -28.842 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.204 5.410 -26.066 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.123 7.794 -27.791 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.432 7.029 -24.233 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.346 9.412 -25.957 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.000 9.032 -24.172 1.00 0.00 H new ATOM 474 N ASN A 30 -7.360 2.513 -29.316 1.00 0.00 N ATOM 475 CA ASN A 30 -8.407 1.696 -29.919 1.00 0.00 C ATOM 476 C ASN A 30 -8.621 0.412 -29.124 1.00 0.00 C ATOM 477 O ASN A 30 -9.756 0.035 -28.829 1.00 0.00 O ATOM 478 CB ASN A 30 -8.048 1.358 -31.368 1.00 0.00 C ATOM 479 CG ASN A 30 -8.421 2.469 -32.330 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.858 3.543 -31.917 1.00 0.00 O ATOM 481 ND2 ASN A 30 -8.250 2.214 -33.622 1.00 0.00 N ATOM 0 H ASN A 30 -6.462 2.471 -29.798 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.334 2.269 -29.905 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.978 1.164 -31.439 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.558 0.441 -31.661 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.484 2.923 -34.317 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.885 1.309 -33.919 1.00 0.00 H new ATOM 488 N ILE A 31 -7.525 -0.254 -28.779 1.00 0.00 N ATOM 489 CA ILE A 31 -7.593 -1.494 -28.016 1.00 0.00 C ATOM 490 C ILE A 31 -8.012 -1.230 -26.574 1.00 0.00 C ATOM 491 O ILE A 31 -8.746 -2.018 -25.975 1.00 0.00 O ATOM 492 CB ILE A 31 -6.241 -2.232 -28.019 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.145 -1.335 -27.440 1.00 0.00 C ATOM 494 CG2 ILE A 31 -5.882 -2.674 -29.430 1.00 0.00 C ATOM 495 CD1 ILE A 31 -3.767 -1.960 -27.485 1.00 0.00 C ATOM 0 H ILE A 31 -6.579 0.044 -29.016 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.341 -2.122 -28.500 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.326 -3.120 -27.392 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.127 -0.395 -27.991 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.392 -1.094 -26.406 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.924 -3.194 -29.416 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.653 -3.345 -29.809 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.811 -1.800 -30.078 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.040 -1.269 -27.059 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.768 -2.886 -26.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.499 -2.176 -28.519 1.00 0.00 H new ATOM 507 N PHE A 32 -7.543 -0.116 -26.022 1.00 0.00 N ATOM 508 CA PHE A 32 -7.870 0.253 -24.649 1.00 0.00 C ATOM 509 C PHE A 32 -7.867 1.769 -24.478 1.00 0.00 C ATOM 510 O PHE A 32 -7.077 2.473 -25.106 1.00 0.00 O ATOM 511 CB PHE A 32 -6.874 -0.383 -23.677 1.00 0.00 C ATOM 512 CG PHE A 32 -7.129 -1.842 -23.427 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.329 -2.266 -22.880 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.167 -2.790 -23.739 1.00 0.00 C ATOM 515 CE1 PHE A 32 -8.567 -3.608 -22.650 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.399 -4.133 -23.511 1.00 0.00 C ATOM 517 CZ PHE A 32 -7.600 -4.543 -22.965 1.00 0.00 C ATOM 0 H PHE A 32 -6.936 0.547 -26.504 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.871 -0.118 -24.428 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.865 -0.261 -24.071 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.912 0.152 -22.728 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.088 -1.539 -22.630 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.226 -2.475 -24.165 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.508 -3.925 -22.225 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.642 -4.862 -23.760 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.783 -5.592 -22.785 1.00 0.00 H new ATOM 527 N ASN A 33 -8.757 2.264 -23.624 1.00 0.00 N ATOM 528 CA ASN A 33 -8.859 3.696 -23.371 1.00 0.00 C ATOM 529 C ASN A 33 -8.285 4.049 -22.002 1.00 0.00 C ATOM 530 O ASN A 33 -8.110 3.180 -21.147 1.00 0.00 O ATOM 531 CB ASN A 33 -10.318 4.148 -23.457 1.00 0.00 C ATOM 532 CG ASN A 33 -10.451 5.597 -23.885 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.349 6.510 -23.065 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.679 5.814 -25.175 1.00 0.00 N ATOM 0 H ASN A 33 -9.418 1.694 -23.096 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.279 4.216 -24.133 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.851 3.513 -24.164 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.795 4.014 -22.486 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.777 6.768 -25.522 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.756 5.027 -25.819 1.00 0.00 H new ATOM 541 N THR A 34 -7.993 5.330 -21.801 1.00 0.00 N ATOM 542 CA THR A 34 -7.439 5.799 -20.537 1.00 0.00 C ATOM 543 C THR A 34 -8.284 5.329 -19.358 1.00 0.00 C ATOM 544 O THR A 34 -7.770 4.735 -18.411 1.00 0.00 O ATOM 545 CB THR A 34 -7.339 7.335 -20.503 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.436 7.914 -21.217 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.026 7.806 -21.111 1.00 0.00 C ATOM 0 H THR A 34 -8.131 6.062 -22.498 1.00 0.00 H new ATOM 0 HA THR A 34 -6.438 5.376 -20.454 1.00 0.00 H new ATOM 0 HB THR A 34 -7.375 7.656 -19.462 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.365 8.891 -21.189 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.978 8.894 -21.076 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.193 7.388 -20.546 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.965 7.474 -22.147 1.00 0.00 H new ATOM 555 N VAL A 35 -9.584 5.599 -19.423 1.00 0.00 N ATOM 556 CA VAL A 35 -10.501 5.202 -18.362 1.00 0.00 C ATOM 557 C VAL A 35 -10.478 3.692 -18.151 1.00 0.00 C ATOM 558 O VAL A 35 -10.427 3.212 -17.018 1.00 0.00 O ATOM 559 CB VAL A 35 -11.943 5.644 -18.672 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.879 5.246 -17.540 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.999 7.144 -18.918 1.00 0.00 C ATOM 0 H VAL A 35 -10.026 6.091 -20.200 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.165 5.698 -17.452 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.273 5.137 -19.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.893 5.567 -17.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.860 4.163 -17.416 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.555 5.723 -16.615 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.026 7.439 -19.136 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.650 7.672 -18.030 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.361 7.398 -19.765 1.00 0.00 H new ATOM 571 N THR A 36 -10.515 2.946 -19.251 1.00 0.00 N ATOM 572 CA THR A 36 -10.499 1.490 -19.188 1.00 0.00 C ATOM 573 C THR A 36 -9.244 0.984 -18.487 1.00 0.00 C ATOM 574 O THR A 36 -9.318 0.156 -17.578 1.00 0.00 O ATOM 575 CB THR A 36 -10.576 0.866 -20.594 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.801 1.243 -21.231 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.483 -0.650 -20.518 1.00 0.00 C ATOM 0 H THR A 36 -10.556 3.327 -20.196 1.00 0.00 H new ATOM 0 HA THR A 36 -11.377 1.189 -18.617 1.00 0.00 H new ATOM 0 HB THR A 36 -9.734 1.237 -21.179 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.517 0.637 -20.948 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.540 -1.069 -21.523 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.536 -0.934 -20.059 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.307 -1.035 -19.917 1.00 0.00 H new ATOM 585 N LEU A 37 -8.090 1.487 -18.914 1.00 0.00 N ATOM 586 CA LEU A 37 -6.817 1.086 -18.326 1.00 0.00 C ATOM 587 C LEU A 37 -6.789 1.385 -16.831 1.00 0.00 C ATOM 588 O LEU A 37 -6.329 0.569 -16.032 1.00 0.00 O ATOM 589 CB LEU A 37 -5.661 1.806 -19.024 1.00 0.00 C ATOM 590 CG LEU A 37 -5.410 1.417 -20.481 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.712 2.547 -21.222 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.588 0.139 -20.558 1.00 0.00 C ATOM 0 H LEU A 37 -8.010 2.173 -19.665 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.704 0.011 -18.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.850 2.879 -18.983 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.749 1.621 -18.457 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.372 1.236 -20.960 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.541 2.252 -22.257 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.337 3.439 -21.197 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.756 2.760 -20.743 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.419 -0.123 -21.603 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.629 0.293 -20.063 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.126 -0.670 -20.064 1.00 0.00 H new ATOM 604 N LYS A 38 -7.286 2.559 -16.458 1.00 0.00 N ATOM 605 CA LYS A 38 -7.322 2.966 -15.059 1.00 0.00 C ATOM 606 C LYS A 38 -8.190 2.017 -14.238 1.00 0.00 C ATOM 607 O LYS A 38 -7.836 1.646 -13.119 1.00 0.00 O ATOM 608 CB LYS A 38 -7.854 4.396 -14.935 1.00 0.00 C ATOM 609 CG LYS A 38 -6.760 5.445 -14.829 1.00 0.00 C ATOM 610 CD LYS A 38 -6.063 5.660 -16.162 1.00 0.00 C ATOM 611 CE LYS A 38 -4.776 6.454 -15.996 1.00 0.00 C ATOM 612 NZ LYS A 38 -5.041 7.859 -15.582 1.00 0.00 N ATOM 0 H LYS A 38 -7.670 3.246 -17.106 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.304 2.928 -14.670 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.477 4.619 -15.801 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.495 4.461 -14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.189 6.386 -14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.030 5.136 -14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.840 4.695 -16.617 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.732 6.187 -16.843 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.144 5.969 -15.252 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.223 6.450 -16.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.139 8.367 -15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.623 8.330 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.546 7.864 -14.673 1.00 0.00 H new ATOM 626 N LYS A 39 -9.328 1.627 -14.802 1.00 0.00 N ATOM 627 CA LYS A 39 -10.246 0.719 -14.125 1.00 0.00 C ATOM 628 C LYS A 39 -9.589 -0.634 -13.876 1.00 0.00 C ATOM 629 O LYS A 39 -9.631 -1.162 -12.764 1.00 0.00 O ATOM 630 CB LYS A 39 -11.519 0.535 -14.955 1.00 0.00 C ATOM 631 CG LYS A 39 -12.361 1.794 -15.066 1.00 0.00 C ATOM 632 CD LYS A 39 -13.376 1.887 -13.939 1.00 0.00 C ATOM 633 CE LYS A 39 -14.712 1.281 -14.343 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.628 1.132 -13.178 1.00 0.00 N ATOM 0 H LYS A 39 -9.637 1.926 -15.727 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.507 1.158 -13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.245 0.202 -15.956 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.122 -0.257 -14.510 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.712 2.670 -15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.879 1.803 -16.025 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.992 1.371 -13.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.518 2.931 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.183 1.911 -15.097 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.545 0.306 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.527 0.716 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.189 0.510 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.808 2.065 -12.756 1.00 0.00 H new ATOM 648 N LEU A 40 -8.980 -1.191 -14.917 1.00 0.00 N ATOM 649 CA LEU A 40 -8.311 -2.483 -14.811 1.00 0.00 C ATOM 650 C LEU A 40 -7.209 -2.441 -13.758 1.00 0.00 C ATOM 651 O LEU A 40 -7.239 -3.191 -12.783 1.00 0.00 O ATOM 652 CB LEU A 40 -7.723 -2.888 -16.164 1.00 0.00 C ATOM 653 CG LEU A 40 -8.703 -2.926 -17.337 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.961 -2.786 -18.658 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.515 -4.212 -17.314 1.00 0.00 C ATOM 0 H LEU A 40 -8.936 -0.768 -15.844 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.051 -3.223 -14.507 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.919 -2.195 -16.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.272 -3.875 -16.061 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.389 -2.085 -17.238 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.675 -2.815 -19.481 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.425 -1.837 -18.676 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.250 -3.606 -18.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.207 -4.221 -18.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.844 -5.068 -17.387 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.077 -4.271 -16.382 1.00 0.00 H new ATOM 667 N ALA A 41 -6.238 -1.556 -13.960 1.00 0.00 N ATOM 668 CA ALA A 41 -5.128 -1.413 -13.026 1.00 0.00 C ATOM 669 C ALA A 41 -5.632 -1.152 -11.611 1.00 0.00 C ATOM 670 O ALA A 41 -5.040 -1.613 -10.636 1.00 0.00 O ATOM 671 CB ALA A 41 -4.202 -0.292 -13.474 1.00 0.00 C ATOM 0 H ALA A 41 -6.198 -0.927 -14.762 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.569 -2.349 -13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.378 -0.197 -12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.807 -0.520 -14.464 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.757 0.645 -13.512 1.00 0.00 H new ATOM 677 N GLU A 42 -6.729 -0.408 -11.506 1.00 0.00 N ATOM 678 CA GLU A 42 -7.312 -0.085 -10.209 1.00 0.00 C ATOM 679 C GLU A 42 -7.803 -1.346 -9.503 1.00 0.00 C ATOM 680 O GLU A 42 -7.532 -1.553 -8.320 1.00 0.00 O ATOM 681 CB GLU A 42 -8.468 0.903 -10.376 1.00 0.00 C ATOM 682 CG GLU A 42 -8.039 2.359 -10.320 1.00 0.00 C ATOM 683 CD GLU A 42 -8.074 2.924 -8.913 1.00 0.00 C ATOM 684 OE1 GLU A 42 -8.970 2.530 -8.137 1.00 0.00 O ATOM 685 OE2 GLU A 42 -7.206 3.760 -8.588 1.00 0.00 O ATOM 0 H GLU A 42 -7.232 -0.018 -12.303 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.537 0.375 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.960 0.715 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.206 0.720 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.029 2.452 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.692 2.951 -10.962 1.00 0.00 H new ATOM 692 N SER A 43 -8.527 -2.184 -10.238 1.00 0.00 N ATOM 693 CA SER A 43 -9.060 -3.422 -9.682 1.00 0.00 C ATOM 694 C SER A 43 -7.938 -4.417 -9.399 1.00 0.00 C ATOM 695 O SER A 43 -7.847 -4.972 -8.303 1.00 0.00 O ATOM 696 CB SER A 43 -10.076 -4.042 -10.644 1.00 0.00 C ATOM 697 OG SER A 43 -10.728 -5.151 -10.051 1.00 0.00 O ATOM 0 H SER A 43 -8.758 -2.028 -11.219 1.00 0.00 H new ATOM 0 HA SER A 43 -9.558 -3.185 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.814 -3.293 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.571 -4.358 -11.557 1.00 0.00 H new ATOM 0 HG SER A 43 -11.373 -5.529 -10.685 1.00 0.00 H new ATOM 703 N LEU A 44 -7.087 -4.639 -10.394 1.00 0.00 N ATOM 704 CA LEU A 44 -5.970 -5.567 -10.254 1.00 0.00 C ATOM 705 C LEU A 44 -6.445 -6.913 -9.716 1.00 0.00 C ATOM 706 O LEU A 44 -6.281 -7.213 -8.533 1.00 0.00 O ATOM 707 CB LEU A 44 -4.907 -4.980 -9.324 1.00 0.00 C ATOM 708 CG LEU A 44 -3.754 -4.241 -10.005 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.148 -3.213 -9.062 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.694 -5.225 -10.477 1.00 0.00 C ATOM 0 H LEU A 44 -7.149 -4.189 -11.307 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.534 -5.724 -11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.396 -4.292 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.490 -5.789 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.148 -3.717 -10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.329 -2.697 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.911 -2.489 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.769 -3.715 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.882 -4.681 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.304 -5.777 -9.622 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.136 -5.922 -11.189 1.00 0.00 H new ATOM 722 N SER A 45 -7.033 -7.721 -10.593 1.00 0.00 N ATOM 723 CA SER A 45 -7.533 -9.035 -10.206 1.00 0.00 C ATOM 724 C SER A 45 -7.853 -9.878 -11.436 1.00 0.00 C ATOM 725 O SER A 45 -8.313 -9.362 -12.454 1.00 0.00 O ATOM 726 CB SER A 45 -8.781 -8.891 -9.333 1.00 0.00 C ATOM 727 OG SER A 45 -8.944 -10.017 -8.487 1.00 0.00 O ATOM 0 H SER A 45 -7.175 -7.489 -11.576 1.00 0.00 H new ATOM 0 HA SER A 45 -6.754 -9.540 -9.634 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.704 -7.987 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.661 -8.778 -9.966 1.00 0.00 H new ATOM 0 HG SER A 45 -9.747 -9.900 -7.938 1.00 0.00 H new ATOM 733 N SER A 46 -7.605 -11.180 -11.333 1.00 0.00 N ATOM 734 CA SER A 46 -7.862 -12.096 -12.438 1.00 0.00 C ATOM 735 C SER A 46 -9.361 -12.251 -12.678 1.00 0.00 C ATOM 736 O SER A 46 -9.802 -12.456 -13.809 1.00 0.00 O ATOM 737 CB SER A 46 -7.236 -13.463 -12.152 1.00 0.00 C ATOM 738 OG SER A 46 -6.544 -13.457 -10.915 1.00 0.00 O ATOM 0 H SER A 46 -7.227 -11.624 -10.496 1.00 0.00 H new ATOM 0 HA SER A 46 -7.409 -11.678 -13.337 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.014 -14.226 -12.134 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.549 -13.727 -12.956 1.00 0.00 H new ATOM 0 HG SER A 46 -6.828 -14.225 -10.377 1.00 0.00 H new ATOM 744 N ASP A 47 -10.138 -12.151 -11.606 1.00 0.00 N ATOM 745 CA ASP A 47 -11.588 -12.279 -11.698 1.00 0.00 C ATOM 746 C ASP A 47 -12.133 -11.457 -12.862 1.00 0.00 C ATOM 747 O ASP A 47 -12.210 -10.230 -12.805 1.00 0.00 O ATOM 748 CB ASP A 47 -12.245 -11.833 -10.391 1.00 0.00 C ATOM 749 CG ASP A 47 -11.919 -12.757 -9.234 1.00 0.00 C ATOM 750 OD1 ASP A 47 -11.265 -13.794 -9.470 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.318 -12.444 -8.093 1.00 0.00 O ATOM 0 H ASP A 47 -9.789 -11.982 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.825 -13.328 -11.875 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.916 -10.822 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.326 -11.793 -10.526 1.00 0.00 H new ATOM 756 N PRO A 48 -12.520 -12.148 -13.945 1.00 0.00 N ATOM 757 CA PRO A 48 -13.064 -11.503 -15.143 1.00 0.00 C ATOM 758 C PRO A 48 -14.449 -10.911 -14.905 1.00 0.00 C ATOM 759 O PRO A 48 -14.987 -10.205 -15.757 1.00 0.00 O ATOM 760 CB PRO A 48 -13.137 -12.645 -16.159 1.00 0.00 C ATOM 761 CG PRO A 48 -13.247 -13.880 -15.333 1.00 0.00 C ATOM 762 CD PRO A 48 -12.456 -13.613 -14.082 1.00 0.00 C ATOM 0 HA PRO A 48 -12.449 -10.664 -15.469 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.997 -12.533 -16.820 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.250 -12.669 -16.792 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.288 -14.100 -15.097 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.852 -14.744 -15.868 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.889 -14.117 -13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.428 -13.964 -14.174 1.00 0.00 H new ATOM 770 N GLU A 49 -15.020 -11.205 -13.741 1.00 0.00 N ATOM 771 CA GLU A 49 -16.344 -10.702 -13.392 1.00 0.00 C ATOM 772 C GLU A 49 -16.298 -9.204 -13.102 1.00 0.00 C ATOM 773 O GLU A 49 -17.112 -8.436 -13.614 1.00 0.00 O ATOM 774 CB GLU A 49 -16.895 -11.451 -12.177 1.00 0.00 C ATOM 775 CG GLU A 49 -17.453 -12.824 -12.510 1.00 0.00 C ATOM 776 CD GLU A 49 -18.696 -12.753 -13.376 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.282 -11.656 -13.484 1.00 0.00 O ATOM 778 OE2 GLU A 49 -19.084 -13.795 -13.945 1.00 0.00 O ATOM 0 H GLU A 49 -14.587 -11.788 -13.025 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.004 -10.870 -14.243 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.102 -11.560 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.680 -10.851 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.689 -13.408 -13.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.688 -13.351 -11.585 1.00 0.00 H new ATOM 785 N VAL A 50 -15.339 -8.796 -12.277 1.00 0.00 N ATOM 786 CA VAL A 50 -15.185 -7.391 -11.918 1.00 0.00 C ATOM 787 C VAL A 50 -14.771 -6.558 -13.125 1.00 0.00 C ATOM 788 O VAL A 50 -15.152 -5.394 -13.250 1.00 0.00 O ATOM 789 CB VAL A 50 -14.142 -7.209 -10.799 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.704 -7.674 -9.464 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.862 -7.956 -11.138 1.00 0.00 C ATOM 0 H VAL A 50 -14.657 -9.419 -11.844 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.155 -7.047 -11.559 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.905 -6.148 -10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.953 -7.538 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.591 -7.089 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.972 -8.729 -9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.136 -7.817 -10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.079 -9.018 -11.250 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.451 -7.570 -12.071 1.00 0.00 H new ATOM 801 N LEU A 51 -13.988 -7.162 -14.013 1.00 0.00 N ATOM 802 CA LEU A 51 -13.521 -6.476 -15.213 1.00 0.00 C ATOM 803 C LEU A 51 -14.680 -6.194 -16.165 1.00 0.00 C ATOM 804 O LEU A 51 -14.717 -5.153 -16.823 1.00 0.00 O ATOM 805 CB LEU A 51 -12.457 -7.315 -15.922 1.00 0.00 C ATOM 806 CG LEU A 51 -11.369 -7.913 -15.029 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.505 -8.885 -15.818 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.515 -6.812 -14.418 1.00 0.00 C ATOM 0 H LEU A 51 -13.663 -8.125 -13.925 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.083 -5.525 -14.911 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.956 -8.129 -16.448 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.977 -6.694 -16.678 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.851 -8.462 -14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.736 -9.300 -15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.127 -9.692 -16.206 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.032 -8.360 -16.648 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.746 -7.256 -13.786 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.042 -6.235 -15.213 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.144 -6.155 -13.817 1.00 0.00 H new ATOM 820 N LEU A 52 -15.624 -7.125 -16.231 1.00 0.00 N ATOM 821 CA LEU A 52 -16.786 -6.976 -17.100 1.00 0.00 C ATOM 822 C LEU A 52 -17.570 -5.716 -16.750 1.00 0.00 C ATOM 823 O LEU A 52 -18.297 -5.175 -17.583 1.00 0.00 O ATOM 824 CB LEU A 52 -17.693 -8.203 -16.987 1.00 0.00 C ATOM 825 CG LEU A 52 -18.478 -8.576 -18.246 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.751 -10.072 -18.280 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.780 -7.792 -18.314 1.00 0.00 C ATOM 0 H LEU A 52 -15.608 -7.992 -15.693 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.432 -6.887 -18.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.081 -9.057 -16.698 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.403 -8.032 -16.178 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.876 -8.317 -19.117 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.310 -10.319 -19.182 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.806 -10.614 -18.279 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.333 -10.356 -17.403 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.325 -8.070 -19.216 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.388 -8.019 -17.438 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.561 -6.724 -18.337 1.00 0.00 H new ATOM 839 N GLN A 53 -17.416 -5.254 -15.514 1.00 0.00 N ATOM 840 CA GLN A 53 -18.109 -4.056 -15.054 1.00 0.00 C ATOM 841 C GLN A 53 -17.378 -2.797 -15.508 1.00 0.00 C ATOM 842 O GLN A 53 -17.813 -1.679 -15.227 1.00 0.00 O ATOM 843 CB GLN A 53 -18.233 -4.066 -13.530 1.00 0.00 C ATOM 844 CG GLN A 53 -17.111 -3.323 -12.823 1.00 0.00 C ATOM 845 CD GLN A 53 -16.817 -3.884 -11.446 1.00 0.00 C ATOM 846 OE1 GLN A 53 -17.654 -4.559 -10.846 1.00 0.00 O ATOM 847 NE2 GLN A 53 -15.622 -3.608 -10.936 1.00 0.00 N ATOM 0 H GLN A 53 -16.818 -5.691 -14.813 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.107 -4.053 -15.492 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -19.187 -3.620 -13.249 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.249 -5.099 -13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.208 -3.372 -13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -17.378 -2.270 -12.733 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.958 -3.045 -11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.368 -3.959 -10.013 1.00 0.00 H new ATOM 856 N ILE A 54 -16.266 -2.985 -16.211 1.00 0.00 N ATOM 857 CA ILE A 54 -15.476 -1.863 -16.704 1.00 0.00 C ATOM 858 C ILE A 54 -15.909 -1.462 -18.110 1.00 0.00 C ATOM 859 O ILE A 54 -16.178 -2.316 -18.955 1.00 0.00 O ATOM 860 CB ILE A 54 -13.972 -2.197 -16.717 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.496 -2.558 -15.309 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.175 -1.024 -17.267 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.059 -3.029 -15.260 1.00 0.00 C ATOM 0 H ILE A 54 -15.892 -3.903 -16.452 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.649 -1.030 -16.022 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.811 -3.057 -17.366 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.607 -1.688 -14.662 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.140 -3.339 -14.905 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.114 -1.274 -17.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.500 -0.809 -18.285 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.339 -0.147 -16.641 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.789 -3.268 -14.231 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.946 -3.918 -15.880 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.405 -2.241 -15.633 1.00 0.00 H new ATOM 875 N ASP A 55 -15.971 -0.158 -18.354 1.00 0.00 N ATOM 876 CA ASP A 55 -16.368 0.357 -19.660 1.00 0.00 C ATOM 877 C ASP A 55 -15.333 0.001 -20.722 1.00 0.00 C ATOM 878 O ASP A 55 -14.134 0.185 -20.521 1.00 0.00 O ATOM 879 CB ASP A 55 -16.554 1.874 -19.598 1.00 0.00 C ATOM 880 CG ASP A 55 -16.764 2.488 -20.968 1.00 0.00 C ATOM 881 OD1 ASP A 55 -17.600 1.962 -21.732 1.00 0.00 O ATOM 882 OD2 ASP A 55 -16.091 3.493 -21.278 1.00 0.00 O ATOM 0 H ASP A 55 -15.752 0.562 -17.665 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.316 -0.106 -19.934 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.409 2.107 -18.964 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.679 2.326 -19.131 1.00 0.00 H new ATOM 887 N GLY A 56 -15.806 -0.511 -21.854 1.00 0.00 N ATOM 888 CA GLY A 56 -14.908 -0.886 -22.931 1.00 0.00 C ATOM 889 C GLY A 56 -14.317 -2.268 -22.738 1.00 0.00 C ATOM 890 O GLY A 56 -13.120 -2.473 -22.939 1.00 0.00 O ATOM 0 H GLY A 56 -16.795 -0.673 -22.045 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.448 -0.854 -23.878 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.102 -0.156 -22.999 1.00 0.00 H new ATOM 894 N VAL A 57 -15.158 -3.220 -22.346 1.00 0.00 N ATOM 895 CA VAL A 57 -14.711 -4.591 -22.125 1.00 0.00 C ATOM 896 C VAL A 57 -15.669 -5.590 -22.763 1.00 0.00 C ATOM 897 O VAL A 57 -16.878 -5.543 -22.534 1.00 0.00 O ATOM 898 CB VAL A 57 -14.586 -4.905 -20.622 1.00 0.00 C ATOM 899 CG1 VAL A 57 -14.101 -6.331 -20.413 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.652 -3.911 -19.947 1.00 0.00 C ATOM 0 H VAL A 57 -16.152 -3.068 -22.175 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.730 -4.683 -22.591 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.571 -4.812 -20.165 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -14.019 -6.535 -19.345 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.811 -7.026 -20.861 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.125 -6.456 -20.882 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.575 -4.147 -18.886 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.665 -3.971 -20.405 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.047 -2.902 -20.066 1.00 0.00 H new ATOM 910 N THR A 58 -15.121 -6.497 -23.567 1.00 0.00 N ATOM 911 CA THR A 58 -15.926 -7.508 -24.239 1.00 0.00 C ATOM 912 C THR A 58 -15.247 -8.872 -24.192 1.00 0.00 C ATOM 913 O THR A 58 -14.076 -8.980 -23.830 1.00 0.00 O ATOM 914 CB THR A 58 -16.190 -7.130 -25.709 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.177 -5.706 -25.858 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.528 -7.682 -26.178 1.00 0.00 C ATOM 0 H THR A 58 -14.122 -6.551 -23.768 1.00 0.00 H new ATOM 0 HA THR A 58 -16.876 -7.559 -23.708 1.00 0.00 H new ATOM 0 HB THR A 58 -15.401 -7.566 -26.321 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.344 -5.474 -26.795 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.692 -7.402 -27.219 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.524 -8.768 -26.091 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.327 -7.271 -25.561 1.00 0.00 H new ATOM 924 N GLU A 59 -15.990 -9.911 -24.560 1.00 0.00 N ATOM 925 CA GLU A 59 -15.458 -11.269 -24.559 1.00 0.00 C ATOM 926 C GLU A 59 -14.249 -11.380 -25.483 1.00 0.00 C ATOM 927 O GLU A 59 -13.241 -11.996 -25.133 1.00 0.00 O ATOM 928 CB GLU A 59 -16.537 -12.264 -24.991 1.00 0.00 C ATOM 929 CG GLU A 59 -16.205 -13.707 -24.653 1.00 0.00 C ATOM 930 CD GLU A 59 -17.071 -14.698 -25.406 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.188 -14.564 -26.642 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.632 -15.607 -24.759 1.00 0.00 O ATOM 0 H GLU A 59 -16.961 -9.839 -24.862 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.141 -11.507 -23.544 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.479 -11.995 -24.513 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.689 -12.178 -26.067 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.157 -13.898 -24.883 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.329 -13.863 -23.581 1.00 0.00 H new ATOM 939 N ASP A 60 -14.357 -10.781 -26.664 1.00 0.00 N ATOM 940 CA ASP A 60 -13.273 -10.812 -27.639 1.00 0.00 C ATOM 941 C ASP A 60 -12.072 -10.014 -27.141 1.00 0.00 C ATOM 942 O ASP A 60 -10.929 -10.457 -27.253 1.00 0.00 O ATOM 943 CB ASP A 60 -13.750 -10.255 -28.981 1.00 0.00 C ATOM 944 CG ASP A 60 -14.753 -11.166 -29.662 1.00 0.00 C ATOM 945 OD1 ASP A 60 -15.353 -12.012 -28.967 1.00 0.00 O ATOM 946 OD2 ASP A 60 -14.937 -11.034 -30.890 1.00 0.00 O ATOM 0 H ASP A 60 -15.184 -10.268 -26.969 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.967 -11.850 -27.773 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.201 -9.275 -28.825 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.891 -10.110 -29.637 1.00 0.00 H new ATOM 951 N LYS A 61 -12.338 -8.833 -26.594 1.00 0.00 N ATOM 952 CA LYS A 61 -11.281 -7.972 -26.079 1.00 0.00 C ATOM 953 C LYS A 61 -10.520 -8.660 -24.950 1.00 0.00 C ATOM 954 O LYS A 61 -9.290 -8.727 -24.967 1.00 0.00 O ATOM 955 CB LYS A 61 -11.868 -6.649 -25.580 1.00 0.00 C ATOM 956 CG LYS A 61 -12.477 -5.800 -26.682 1.00 0.00 C ATOM 957 CD LYS A 61 -12.503 -4.329 -26.303 1.00 0.00 C ATOM 958 CE LYS A 61 -12.917 -3.458 -27.479 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.670 -2.013 -27.213 1.00 0.00 N ATOM 0 H LYS A 61 -13.278 -8.450 -26.496 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.585 -7.769 -26.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.631 -6.859 -24.831 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.084 -6.077 -25.084 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.905 -5.930 -27.601 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.491 -6.142 -26.887 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.196 -4.178 -25.475 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.517 -4.025 -25.953 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.366 -3.763 -28.369 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.975 -3.613 -27.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.965 -1.453 -28.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.216 -1.715 -26.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.657 -1.861 -27.036 1.00 0.00 H new ATOM 973 N LEU A 62 -11.258 -9.171 -23.971 1.00 0.00 N ATOM 974 CA LEU A 62 -10.653 -9.856 -22.834 1.00 0.00 C ATOM 975 C LEU A 62 -10.022 -11.176 -23.266 1.00 0.00 C ATOM 976 O LEU A 62 -9.085 -11.662 -22.635 1.00 0.00 O ATOM 977 CB LEU A 62 -11.702 -10.110 -21.749 1.00 0.00 C ATOM 978 CG LEU A 62 -12.837 -11.064 -22.124 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.414 -12.508 -21.908 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.088 -10.745 -21.318 1.00 0.00 C ATOM 0 H LEU A 62 -12.276 -9.124 -23.942 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.869 -9.215 -22.430 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.196 -10.507 -20.869 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.138 -9.153 -21.462 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.066 -10.930 -23.181 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.234 -13.172 -22.180 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.546 -12.730 -22.529 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.158 -12.659 -20.859 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.886 -11.433 -21.597 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.873 -10.851 -20.255 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.403 -9.722 -21.524 1.00 0.00 H new ATOM 992 N GLU A 63 -10.541 -11.748 -24.348 1.00 0.00 N ATOM 993 CA GLU A 63 -10.027 -13.010 -24.865 1.00 0.00 C ATOM 994 C GLU A 63 -8.685 -12.807 -25.563 1.00 0.00 C ATOM 995 O GLU A 63 -7.819 -13.681 -25.535 1.00 0.00 O ATOM 996 CB GLU A 63 -11.030 -13.635 -25.838 1.00 0.00 C ATOM 997 CG GLU A 63 -10.494 -14.860 -26.561 1.00 0.00 C ATOM 998 CD GLU A 63 -11.596 -15.706 -27.169 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.971 -15.443 -28.331 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -12.082 -16.629 -26.484 1.00 0.00 O ATOM 0 H GLU A 63 -11.317 -11.357 -24.883 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.880 -13.685 -24.022 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.931 -13.912 -25.290 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.323 -12.887 -26.575 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.809 -14.543 -27.347 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.918 -15.467 -25.862 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.521 -11.646 -26.188 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.285 -11.325 -26.893 1.00 0.00 C ATOM 1009 C LYS A 64 -6.278 -10.668 -25.955 1.00 0.00 C ATOM 1010 O LYS A 64 -5.130 -11.101 -25.860 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.575 -10.398 -28.076 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.247 -11.097 -29.246 1.00 0.00 C ATOM 1013 CD LYS A 64 -8.902 -10.102 -30.189 1.00 0.00 C ATOM 1014 CE LYS A 64 -7.896 -9.517 -31.169 1.00 0.00 C ATOM 1015 NZ LYS A 64 -7.928 -10.220 -32.481 1.00 0.00 N ATOM 0 H LYS A 64 -9.228 -10.912 -26.221 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.856 -12.256 -27.264 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.211 -9.580 -27.738 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.640 -9.954 -28.417 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.509 -11.685 -29.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.997 -11.794 -28.872 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.704 -10.594 -30.739 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.359 -9.298 -29.612 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.108 -8.458 -31.319 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.894 -9.585 -30.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.229 -9.792 -33.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.701 -11.225 -32.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.877 -10.134 -32.898 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.716 -9.622 -25.262 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.853 -8.906 -24.331 1.00 0.00 C ATOM 1031 C TYR A 65 -6.072 -9.391 -22.902 1.00 0.00 C ATOM 1032 O TYR A 65 -5.124 -9.746 -22.202 1.00 0.00 O ATOM 1033 CB TYR A 65 -6.113 -7.401 -24.417 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.755 -6.971 -25.717 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -6.120 -7.188 -26.933 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.996 -6.346 -25.728 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.702 -6.796 -28.123 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.586 -5.951 -26.913 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.936 -6.178 -28.107 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.520 -5.786 -29.290 1.00 0.00 O ATOM 0 H TYR A 65 -7.664 -9.252 -25.328 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.818 -9.105 -24.608 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.756 -7.104 -23.588 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.169 -6.870 -24.295 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.154 -7.672 -26.949 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.508 -6.166 -24.794 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.195 -6.972 -29.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.551 -5.467 -26.904 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.387 -5.368 -29.104 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.331 -9.402 -22.474 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.654 -9.845 -21.130 1.00 0.00 C ATOM 1052 C GLY A 66 -6.883 -11.087 -20.728 1.00 0.00 C ATOM 1053 O GLY A 66 -6.535 -11.259 -19.560 1.00 0.00 O ATOM 0 H GLY A 66 -8.133 -9.112 -23.034 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.438 -9.043 -20.425 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.723 -10.048 -21.065 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.618 -11.956 -21.698 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.884 -13.189 -21.439 1.00 0.00 C ATOM 1059 C ALA A 67 -4.589 -12.908 -20.683 1.00 0.00 C ATOM 1060 O ALA A 67 -4.346 -13.477 -19.619 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.588 -13.911 -22.745 1.00 0.00 C ATOM 0 H ALA A 67 -6.900 -11.829 -22.670 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.507 -13.830 -20.815 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.040 -14.830 -22.537 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.525 -14.153 -23.247 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.987 -13.268 -23.388 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.763 -12.029 -21.240 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.492 -11.675 -20.617 1.00 0.00 C ATOM 1069 C GLU A 68 -2.717 -11.018 -19.258 1.00 0.00 C ATOM 1070 O GLU A 68 -1.938 -11.213 -18.325 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.698 -10.735 -21.526 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.011 -11.442 -22.682 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.996 -12.026 -23.676 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -2.882 -11.278 -24.141 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.881 -13.229 -23.989 1.00 0.00 O ATOM 0 H GLU A 68 -3.950 -11.549 -22.120 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.921 -12.592 -20.468 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.370 -9.975 -21.924 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.947 -10.216 -20.931 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.356 -10.738 -23.196 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.379 -12.239 -22.291 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.788 -10.237 -19.155 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.116 -9.551 -17.911 1.00 0.00 C ATOM 1084 C VAL A 69 -4.398 -10.547 -16.791 1.00 0.00 C ATOM 1085 O VAL A 69 -3.853 -10.432 -15.693 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.339 -8.630 -18.084 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.521 -7.748 -16.858 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.197 -7.787 -19.341 1.00 0.00 C ATOM 0 H VAL A 69 -4.443 -10.064 -19.918 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.249 -8.946 -17.645 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.228 -9.252 -18.190 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.389 -7.104 -16.998 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.672 -8.374 -15.979 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.632 -7.133 -16.717 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.070 -7.143 -19.447 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.299 -7.173 -19.268 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.120 -8.440 -20.210 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.251 -11.524 -17.077 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.604 -12.542 -16.095 1.00 0.00 C ATOM 1100 C ILE A 70 -4.398 -13.404 -15.740 1.00 0.00 C ATOM 1101 O ILE A 70 -4.172 -13.723 -14.572 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.737 -13.450 -16.607 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.981 -12.619 -16.930 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.063 -14.522 -15.578 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.173 -13.451 -17.346 1.00 0.00 C ATOM 0 H ILE A 70 -5.711 -11.633 -17.981 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.947 -12.016 -15.204 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.403 -13.941 -17.521 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.249 -12.027 -16.055 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.742 -11.917 -17.729 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.866 -15.156 -15.955 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.177 -15.130 -15.393 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.380 -14.050 -14.648 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.017 -12.796 -17.559 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.923 -14.023 -18.239 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.439 -14.135 -16.540 1.00 0.00 H new ATOM 1117 N SER A 71 -3.624 -13.776 -16.754 1.00 0.00 N ATOM 1118 CA SER A 71 -2.441 -14.604 -16.549 1.00 0.00 C ATOM 1119 C SER A 71 -1.466 -13.929 -15.588 1.00 0.00 C ATOM 1120 O SER A 71 -0.948 -14.560 -14.667 1.00 0.00 O ATOM 1121 CB SER A 71 -1.748 -14.880 -17.885 1.00 0.00 C ATOM 1122 OG SER A 71 -0.970 -16.063 -17.821 1.00 0.00 O ATOM 0 H SER A 71 -3.795 -13.517 -17.726 1.00 0.00 H new ATOM 0 HA SER A 71 -2.761 -15.550 -16.111 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.495 -14.974 -18.673 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.111 -14.036 -18.149 1.00 0.00 H new ATOM 0 HG SER A 71 -0.539 -16.218 -18.687 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.221 -12.642 -15.811 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.310 -11.880 -14.965 1.00 0.00 C ATOM 1130 C VAL A 72 -0.853 -11.753 -13.546 1.00 0.00 C ATOM 1131 O VAL A 72 -0.138 -11.989 -12.572 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.060 -10.472 -15.536 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.861 -9.680 -14.620 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.519 -10.561 -16.940 1.00 0.00 C ATOM 0 H VAL A 72 -1.640 -12.105 -16.570 1.00 0.00 H new ATOM 0 HA VAL A 72 0.632 -12.427 -14.942 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.014 -9.948 -15.594 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.026 -8.688 -15.040 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.402 -9.586 -13.636 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.815 -10.198 -14.527 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.689 -9.557 -17.328 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.464 -11.103 -16.910 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.181 -11.087 -17.590 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.123 -11.378 -13.437 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.765 -11.220 -12.136 1.00 0.00 C ATOM 1146 C LEU A 73 -2.762 -12.535 -11.364 1.00 0.00 C ATOM 1147 O LEU A 73 -2.724 -12.542 -10.134 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.200 -10.721 -12.311 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.356 -9.308 -12.875 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.672 -9.174 -13.625 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.269 -8.276 -11.759 1.00 0.00 C ATOM 0 H LEU A 73 -2.728 -11.178 -14.233 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.198 -10.484 -11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.726 -11.413 -12.968 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.698 -10.761 -11.342 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.542 -9.126 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.765 -8.162 -14.019 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.696 -9.888 -14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.500 -9.376 -12.946 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.382 -7.276 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.062 -8.457 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.301 -8.355 -11.265 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.801 -13.645 -12.094 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.801 -14.965 -11.477 1.00 0.00 C ATOM 1165 C GLN A 74 -1.378 -15.427 -11.178 1.00 0.00 C ATOM 1166 O GLN A 74 -1.141 -16.166 -10.222 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.498 -15.977 -12.388 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.927 -16.288 -11.972 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.026 -16.767 -10.537 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.034 -17.185 -9.940 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.227 -16.708 -9.975 1.00 0.00 N ATOM 0 H GLN A 74 -2.833 -13.656 -13.113 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.347 -14.898 -10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.501 -15.593 -13.408 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.922 -16.902 -12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.540 -15.395 -12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.337 -17.050 -12.635 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.022 -16.354 -10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.355 -17.016 -9.011 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.434 -14.987 -12.003 1.00 0.00 N ATOM 1181 CA LYS A 75 0.967 -15.354 -11.828 1.00 0.00 C ATOM 1182 C LYS A 75 1.530 -14.752 -10.544 1.00 0.00 C ATOM 1183 O LYS A 75 2.075 -15.464 -9.701 1.00 0.00 O ATOM 1184 CB LYS A 75 1.792 -14.885 -13.028 1.00 0.00 C ATOM 1185 CG LYS A 75 1.843 -15.895 -14.162 1.00 0.00 C ATOM 1186 CD LYS A 75 3.172 -15.841 -14.897 1.00 0.00 C ATOM 1187 CE LYS A 75 3.359 -14.512 -15.613 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.333 -14.619 -16.734 1.00 0.00 N ATOM 0 H LYS A 75 -0.613 -14.376 -12.800 1.00 0.00 H new ATOM 0 HA LYS A 75 1.026 -16.440 -11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.374 -13.951 -13.403 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.808 -14.670 -12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.686 -16.898 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.031 -15.699 -14.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.987 -15.992 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.223 -16.655 -15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.399 -14.168 -15.998 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.705 -13.762 -14.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.433 -13.693 -17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.256 -14.923 -16.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.991 -15.316 -17.426 1.00 0.00 H new ATOM 1202 N TYR A 76 1.394 -13.438 -10.403 1.00 0.00 N ATOM 1203 CA TYR A 76 1.891 -12.740 -9.223 1.00 0.00 C ATOM 1204 C TYR A 76 1.057 -13.088 -7.994 1.00 0.00 C ATOM 1205 O TYR A 76 1.544 -13.036 -6.864 1.00 0.00 O ATOM 1206 CB TYR A 76 1.875 -11.228 -9.454 1.00 0.00 C ATOM 1207 CG TYR A 76 0.639 -10.547 -8.912 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -0.587 -10.673 -9.555 1.00 0.00 C ATOM 1209 CD2 TYR A 76 0.696 -9.775 -7.758 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -1.718 -10.051 -9.064 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -0.431 -9.151 -7.259 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.635 -9.292 -7.916 1.00 0.00 C ATOM 1213 OH TYR A 76 -2.760 -8.671 -7.423 1.00 0.00 O ATOM 0 H TYR A 76 0.944 -12.835 -11.091 1.00 0.00 H new ATOM 0 HA TYR A 76 2.917 -13.062 -9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.756 -10.788 -8.987 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.949 -11.031 -10.524 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.656 -11.268 -10.454 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.638 -9.661 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.663 -10.159 -9.577 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.369 -8.556 -6.360 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.531 -8.177 -6.608 1.00 0.00 H new ATOM 1223 N SER A 77 -0.203 -13.443 -8.223 1.00 0.00 N ATOM 1224 CA SER A 77 -1.108 -13.796 -7.135 1.00 0.00 C ATOM 1225 C SER A 77 -0.597 -15.018 -6.379 1.00 0.00 C ATOM 1226 O SER A 77 -0.833 -15.162 -5.180 1.00 0.00 O ATOM 1227 CB SER A 77 -2.512 -14.069 -7.679 1.00 0.00 C ATOM 1228 OG SER A 77 -3.328 -12.914 -7.587 1.00 0.00 O ATOM 0 H SER A 77 -0.621 -13.494 -9.152 1.00 0.00 H new ATOM 0 HA SER A 77 -1.151 -12.954 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.447 -14.390 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.969 -14.886 -7.121 1.00 0.00 H new ATOM 0 HG SER A 77 -3.333 -12.447 -8.449 1.00 0.00 H new ATOM 1234 N GLU A 78 0.105 -15.895 -7.090 1.00 0.00 N ATOM 1235 CA GLU A 78 0.649 -17.106 -6.486 1.00 0.00 C ATOM 1236 C GLU A 78 2.102 -16.901 -6.069 1.00 0.00 C ATOM 1237 O GLU A 78 2.866 -17.859 -5.952 1.00 0.00 O ATOM 1238 CB GLU A 78 0.547 -18.280 -7.462 1.00 0.00 C ATOM 1239 CG GLU A 78 -0.882 -18.699 -7.764 1.00 0.00 C ATOM 1240 CD GLU A 78 -0.972 -20.109 -8.315 1.00 0.00 C ATOM 1241 OE1 GLU A 78 0.048 -20.829 -8.271 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.061 -20.493 -8.789 1.00 0.00 O ATOM 0 H GLU A 78 0.310 -15.790 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 78 0.062 -17.332 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.042 -18.010 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.087 -19.132 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.477 -18.630 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.317 -18.004 -8.482 1.00 0.00 H new ATOM 1249 N TRP A 79 2.476 -15.646 -5.848 1.00 0.00 N ATOM 1250 CA TRP A 79 3.838 -15.314 -5.446 1.00 0.00 C ATOM 1251 C TRP A 79 4.854 -15.936 -6.397 1.00 0.00 C ATOM 1252 O TRP A 79 5.968 -16.276 -5.997 1.00 0.00 O ATOM 1253 CB TRP A 79 4.100 -15.792 -4.017 1.00 0.00 C ATOM 1254 CG TRP A 79 3.093 -15.287 -3.028 1.00 0.00 C ATOM 1255 CD1 TRP A 79 3.090 -14.069 -2.410 1.00 0.00 C ATOM 1256 CD2 TRP A 79 1.943 -15.988 -2.542 1.00 0.00 C ATOM 1257 NE1 TRP A 79 2.008 -13.971 -1.569 1.00 0.00 N ATOM 1258 CE2 TRP A 79 1.288 -15.135 -1.632 1.00 0.00 C ATOM 1259 CE3 TRP A 79 1.402 -17.253 -2.788 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 0.122 -15.508 -0.970 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 0.245 -17.622 -2.129 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -0.386 -16.752 -1.230 1.00 0.00 C ATOM 0 H TRP A 79 1.856 -14.842 -5.940 1.00 0.00 H new ATOM 0 HA TRP A 79 3.948 -14.230 -5.486 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.100 -16.882 -4.000 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.094 -15.468 -3.710 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.830 -13.296 -2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.778 -13.163 -0.991 1.00 0.00 H new ATOM 0 HE3 TRP A 79 1.880 -17.930 -3.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.365 -14.839 -0.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.180 -18.598 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.291 -17.069 -0.733 1.00 0.00 H new ATOM 1273 N THR A 80 4.464 -16.083 -7.660 1.00 0.00 N ATOM 1274 CA THR A 80 5.340 -16.665 -8.668 1.00 0.00 C ATOM 1275 C THR A 80 6.593 -15.819 -8.863 1.00 0.00 C ATOM 1276 O THR A 80 7.675 -16.344 -9.124 1.00 0.00 O ATOM 1277 CB THR A 80 4.619 -16.814 -10.021 1.00 0.00 C ATOM 1278 OG1 THR A 80 3.469 -17.654 -9.873 1.00 0.00 O ATOM 1279 CG2 THR A 80 5.552 -17.403 -11.069 1.00 0.00 C ATOM 0 H THR A 80 3.546 -15.806 -8.008 1.00 0.00 H new ATOM 0 HA THR A 80 5.625 -17.653 -8.306 1.00 0.00 H new ATOM 0 HB THR A 80 4.305 -15.824 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.656 -17.117 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.021 -17.499 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.412 -16.747 -11.200 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.892 -18.386 -10.742 1.00 0.00 H new ATOM 1287 N SER A 81 6.439 -14.505 -8.733 1.00 0.00 N ATOM 1288 CA SER A 81 7.558 -13.584 -8.899 1.00 0.00 C ATOM 1289 C SER A 81 8.181 -13.730 -10.284 1.00 0.00 C ATOM 1290 O SER A 81 9.284 -14.252 -10.445 1.00 0.00 O ATOM 1291 CB SER A 81 8.616 -13.836 -7.822 1.00 0.00 C ATOM 1292 OG SER A 81 9.608 -12.824 -7.836 1.00 0.00 O ATOM 0 H SER A 81 5.551 -14.054 -8.513 1.00 0.00 H new ATOM 0 HA SER A 81 7.179 -12.567 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.141 -13.870 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.081 -14.808 -7.985 1.00 0.00 H new ATOM 0 HG SER A 81 10.271 -13.007 -7.138 1.00 0.00 H new ATOM 1298 N PRO A 82 7.458 -13.256 -11.310 1.00 0.00 N ATOM 1299 CA PRO A 82 7.919 -13.321 -12.700 1.00 0.00 C ATOM 1300 C PRO A 82 9.091 -12.383 -12.966 1.00 0.00 C ATOM 1301 O PRO A 82 9.651 -11.795 -12.041 1.00 0.00 O ATOM 1302 CB PRO A 82 6.691 -12.883 -13.501 1.00 0.00 C ATOM 1303 CG PRO A 82 5.904 -12.039 -12.558 1.00 0.00 C ATOM 1304 CD PRO A 82 6.135 -12.621 -11.191 1.00 0.00 C ATOM 0 HA PRO A 82 8.285 -14.314 -12.963 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.978 -12.321 -14.390 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.113 -13.742 -13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.229 -11.000 -12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.845 -12.052 -12.814 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.127 -11.851 -10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.364 -13.345 -10.927 1.00 0.00 H new ATOM 1312 N ALA A 83 9.458 -12.248 -14.236 1.00 0.00 N ATOM 1313 CA ALA A 83 10.563 -11.380 -14.624 1.00 0.00 C ATOM 1314 C ALA A 83 10.114 -10.347 -15.652 1.00 0.00 C ATOM 1315 O ALA A 83 8.975 -10.375 -16.116 1.00 0.00 O ATOM 1316 CB ALA A 83 11.717 -12.206 -15.172 1.00 0.00 C ATOM 0 H ALA A 83 9.006 -12.729 -15.014 1.00 0.00 H new ATOM 0 HA ALA A 83 10.903 -10.847 -13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.535 -11.544 -15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.063 -12.901 -14.407 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.381 -12.766 -16.045 1.00 0.00 H new ATOM 1322 N GLU A 84 11.017 -9.436 -16.002 1.00 0.00 N ATOM 1323 CA GLU A 84 10.712 -8.393 -16.975 1.00 0.00 C ATOM 1324 C GLU A 84 11.284 -8.743 -18.345 1.00 0.00 C ATOM 1325 O GLU A 84 11.605 -7.859 -19.140 1.00 0.00 O ATOM 1326 CB GLU A 84 11.270 -7.048 -16.505 1.00 0.00 C ATOM 1327 CG GLU A 84 10.524 -6.461 -15.318 1.00 0.00 C ATOM 1328 CD GLU A 84 11.403 -5.573 -14.459 1.00 0.00 C ATOM 1329 OE1 GLU A 84 12.091 -4.696 -15.023 1.00 0.00 O ATOM 1330 OE2 GLU A 84 11.403 -5.754 -13.223 1.00 0.00 O ATOM 0 H GLU A 84 11.965 -9.399 -15.627 1.00 0.00 H new ATOM 0 HA GLU A 84 9.628 -8.318 -17.062 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.319 -7.173 -16.238 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.234 -6.340 -17.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.672 -5.884 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.125 -7.271 -14.707 1.00 0.00 H new ATOM 1337 N ASP A 85 11.410 -10.038 -18.614 1.00 0.00 N ATOM 1338 CA ASP A 85 11.943 -10.506 -19.889 1.00 0.00 C ATOM 1339 C ASP A 85 10.941 -11.411 -20.597 1.00 0.00 C ATOM 1340 O ASP A 85 10.693 -12.537 -20.164 1.00 0.00 O ATOM 1341 CB ASP A 85 13.260 -11.253 -19.671 1.00 0.00 C ATOM 1342 CG ASP A 85 14.029 -11.459 -20.962 1.00 0.00 C ATOM 1343 OD1 ASP A 85 13.418 -11.332 -22.044 1.00 0.00 O ATOM 1344 OD2 ASP A 85 15.242 -11.745 -20.890 1.00 0.00 O ATOM 0 H ASP A 85 11.151 -10.782 -17.967 1.00 0.00 H new ATOM 0 HA ASP A 85 12.128 -9.636 -20.520 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.879 -10.695 -18.968 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.054 -12.222 -19.216 1.00 0.00 H new TER 1349 ASP A 85