USER MOD reduce.3.24.130724 H: found=0, std=0, add=1202, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1202 hydrogens (19 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 12 SER OG : rot -112:sc= -1.99 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.14! C(o=-5.1!,f=-11!) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -1.2 USER MOD Set 2.2: A 34 ASN : amide:sc= -5.46! C(o=-20!,f=-20!) USER MOD Set 2.3: A 52 GLN : amide:sc= -8.21! C(o=-20!,f=-20!) USER MOD Set 2.4: A 95 MET CE :methyl -146:sc= -5.27! (180deg=-4.83!) USER MOD Set 3.1: A 7 THR OG1 : rot -50:sc= 0.521 USER MOD Set 3.2: A 85 SER OG : rot 156:sc= 0.0974 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0762 (180deg=0) USER MOD Single : A 4 MET CE :methyl -167:sc= -1.4 (180deg=-2.01) USER MOD Single : A 6 THR OG1 : rot -134:sc= -0.735 USER MOD Single : A 13 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.088) USER MOD Single : A 15 HIS : no HE2:sc= -4.2 X(o=-4.2,f=-4.7!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.179 USER MOD Single : A 32 SER OG : rot -37:sc= 0.559 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.0522 (180deg=-0.0522) USER MOD Single : A 40 THR OG1 : rot 120:sc= -0.273 USER MOD Single : A 46 ASN : amide:sc= -4.09! K(o=-4.1!,f=-0.63) USER MOD Single : A 49 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.2!) USER MOD Single : A 57 THR OG1 : rot 122:sc= 0.704 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 61:sc= 1.28 USER MOD Single : A 69 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.12) USER MOD Single : A 70 SER OG : rot -37:sc= 0.632 USER MOD Single : A 81 MET CE :methyl -169:sc= -3.41! (180deg=-4.07!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -35:sc= 1.15 USER MOD Single : A 116 SER OG : rot 83:sc= 0.234 USER MOD Single : A 117 THR OG1 : rot -7:sc= 0.761 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.835 K(o=-0.83,f=-0.06) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -71:sc= 1.24 USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 CYS SG : rot 180:sc= -0.0584 USER MOD Single : A 149 FMN O2' : rot -11:sc= 0.629 USER MOD Single : A 149 FMN O3' : rot 179:sc= 1 USER MOD Single : A 149 FMN O4' : rot 180:sc= -0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.935 5.532 5.757 1.00 0.00 N ATOM 2 CA GLY A 1 26.280 4.087 5.651 1.00 0.00 C ATOM 3 C GLY A 1 25.210 3.285 4.937 1.00 0.00 C ATOM 4 O GLY A 1 24.164 3.821 4.569 1.00 0.00 O ATOM 0 H1 GLY A 1 26.561 6.085 5.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.947 5.675 5.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.056 5.847 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.225 3.981 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.430 3.678 6.650 1.00 0.00 H new ATOM 10 N GLU A 2 25.473 1.996 4.740 1.00 0.00 N ATOM 11 CA GLU A 2 24.525 1.114 4.066 1.00 0.00 C ATOM 12 C GLU A 2 23.688 0.343 5.081 1.00 0.00 C ATOM 13 O GLU A 2 24.191 -0.554 5.759 1.00 0.00 O ATOM 14 CB GLU A 2 25.268 0.134 3.157 1.00 0.00 C ATOM 15 CG GLU A 2 24.356 -0.628 2.209 1.00 0.00 C ATOM 16 CD GLU A 2 25.107 -1.638 1.363 1.00 0.00 C ATOM 17 OE1 GLU A 2 25.298 -2.780 1.831 1.00 0.00 O ATOM 18 OE2 GLU A 2 25.505 -1.286 0.232 1.00 0.00 O ATOM 0 H GLU A 2 26.335 1.539 5.038 1.00 0.00 H new ATOM 0 HA GLU A 2 23.859 1.730 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 2 26.008 0.682 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 2 25.814 -0.579 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 2 23.587 -1.143 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 2 23.845 0.079 1.556 1.00 0.00 H new ATOM 25 N PHE A 3 22.410 0.694 5.181 1.00 0.05 N ATOM 26 CA PHE A 3 21.509 0.032 6.117 1.00 0.05 C ATOM 27 C PHE A 3 20.567 -0.919 5.388 1.00 0.05 C ATOM 28 O PHE A 3 20.180 -0.676 4.245 1.00 0.05 O ATOM 29 CB PHE A 3 20.708 1.066 6.903 1.00 0.05 C ATOM 30 CG PHE A 3 19.944 0.482 8.057 1.00 0.05 C ATOM 31 CD1 PHE A 3 20.601 0.096 9.213 1.00 0.05 C ATOM 32 CD2 PHE A 3 18.571 0.314 7.983 1.00 0.05 C ATOM 33 CE1 PHE A 3 19.904 -0.447 10.276 1.00 0.05 C ATOM 34 CE2 PHE A 3 17.867 -0.228 9.042 1.00 0.05 C ATOM 35 CZ PHE A 3 18.535 -0.609 10.190 1.00 0.05 C ATOM 0 H PHE A 3 21.976 1.432 4.626 1.00 0.05 H new ATOM 0 HA PHE A 3 22.112 -0.551 6.812 1.00 0.05 H new ATOM 0 HB2 PHE A 3 21.387 1.832 7.278 1.00 0.05 H new ATOM 0 HB3 PHE A 3 20.009 1.562 6.229 1.00 0.05 H new ATOM 0 HD1 PHE A 3 21.671 0.221 9.285 1.00 0.05 H new ATOM 0 HD2 PHE A 3 18.045 0.610 7.088 1.00 0.05 H new ATOM 0 HE1 PHE A 3 20.429 -0.744 11.172 1.00 0.05 H new ATOM 0 HE2 PHE A 3 16.797 -0.353 8.972 1.00 0.05 H new ATOM 0 HZ PHE A 3 17.987 -1.033 11.019 1.00 0.05 H new ATOM 45 N MET A 4 20.203 -2.004 6.064 1.00 0.09 N ATOM 46 CA MET A 4 19.313 -3.008 5.491 1.00 0.09 C ATOM 47 C MET A 4 17.942 -2.418 5.169 1.00 0.09 C ATOM 48 O MET A 4 17.591 -1.338 5.642 1.00 0.09 O ATOM 49 CB MET A 4 19.169 -4.183 6.455 1.00 0.09 C ATOM 50 CG MET A 4 18.512 -3.814 7.776 1.00 0.09 C ATOM 51 SD MET A 4 18.394 -5.212 8.907 1.00 0.09 S ATOM 52 CE MET A 4 17.389 -6.342 7.946 1.00 0.09 C ATOM 0 H MET A 4 20.512 -2.211 7.014 1.00 0.09 H new ATOM 0 HA MET A 4 19.752 -3.358 4.557 1.00 0.09 H new ATOM 0 HB2 MET A 4 18.583 -4.966 5.974 1.00 0.09 H new ATOM 0 HB3 MET A 4 20.156 -4.601 6.654 1.00 0.09 H new ATOM 0 HG2 MET A 4 19.082 -3.015 8.250 1.00 0.09 H new ATOM 0 HG3 MET A 4 17.513 -3.422 7.584 1.00 0.09 H new ATOM 0 HE1 MET A 4 17.035 -7.149 8.587 1.00 0.09 H new ATOM 0 HE2 MET A 4 16.535 -5.807 7.532 1.00 0.09 H new ATOM 0 HE3 MET A 4 17.985 -6.758 7.134 1.00 0.09 H new ATOM 62 N LEU A 5 17.173 -3.142 4.360 1.00 0.06 N ATOM 63 CA LEU A 5 15.842 -2.702 3.958 1.00 0.06 C ATOM 64 C LEU A 5 14.782 -3.117 4.970 1.00 0.06 C ATOM 65 O LEU A 5 15.057 -3.849 5.920 1.00 0.06 O ATOM 66 CB LEU A 5 15.496 -3.279 2.584 1.00 0.06 C ATOM 67 CG LEU A 5 14.971 -2.268 1.566 1.00 0.06 C ATOM 68 CD1 LEU A 5 16.037 -1.232 1.250 1.00 0.06 C ATOM 69 CD2 LEU A 5 14.517 -2.976 0.298 1.00 0.06 C ATOM 0 H LEU A 5 17.452 -4.042 3.968 1.00 0.06 H new ATOM 0 HA LEU A 5 15.853 -1.613 3.910 1.00 0.06 H new ATOM 0 HB2 LEU A 5 16.386 -3.755 2.173 1.00 0.06 H new ATOM 0 HB3 LEU A 5 14.748 -4.061 2.714 1.00 0.06 H new ATOM 0 HG LEU A 5 14.111 -1.755 1.998 1.00 0.06 H new ATOM 0 HD11 LEU A 5 15.647 -0.519 0.523 1.00 0.06 H new ATOM 0 HD12 LEU A 5 16.314 -0.705 2.163 1.00 0.06 H new ATOM 0 HD13 LEU A 5 16.915 -1.728 0.837 1.00 0.06 H new ATOM 0 HD21 LEU A 5 14.146 -2.241 -0.416 1.00 0.06 H new ATOM 0 HD22 LEU A 5 15.358 -3.514 -0.139 1.00 0.06 H new ATOM 0 HD23 LEU A 5 13.721 -3.681 0.540 1.00 0.06 H new ATOM 81 N THR A 6 13.569 -2.629 4.747 1.00 0.10 N ATOM 82 CA THR A 6 12.436 -2.914 5.613 1.00 0.10 C ATOM 83 C THR A 6 11.138 -2.696 4.841 1.00 0.10 C ATOM 84 O THR A 6 11.125 -1.972 3.852 1.00 0.10 O ATOM 85 CB THR A 6 12.467 -2.007 6.856 1.00 0.10 C ATOM 86 OG1 THR A 6 13.680 -2.223 7.587 1.00 0.10 O ATOM 87 CG2 THR A 6 11.277 -2.273 7.765 1.00 0.10 C ATOM 0 H THR A 6 13.344 -2.023 3.958 1.00 0.10 H new ATOM 0 HA THR A 6 12.493 -3.952 5.941 1.00 0.10 H new ATOM 0 HB THR A 6 12.417 -0.972 6.516 1.00 0.10 H new ATOM 0 HG1 THR A 6 13.476 -2.310 8.542 1.00 0.10 H new ATOM 0 HG21 THR A 6 11.329 -1.616 8.633 1.00 0.10 H new ATOM 0 HG22 THR A 6 10.353 -2.082 7.220 1.00 0.10 H new ATOM 0 HG23 THR A 6 11.296 -3.312 8.094 1.00 0.10 H new ATOM 95 N THR A 7 10.052 -3.327 5.271 1.00 0.10 N ATOM 96 CA THR A 7 8.778 -3.165 4.578 1.00 0.10 C ATOM 97 C THR A 7 7.672 -2.709 5.514 1.00 0.10 C ATOM 98 O THR A 7 7.111 -3.504 6.265 1.00 0.10 O ATOM 99 CB THR A 7 8.316 -4.461 3.881 1.00 0.10 C ATOM 100 OG1 THR A 7 9.371 -4.980 3.063 1.00 0.10 O ATOM 101 CG2 THR A 7 7.078 -4.204 3.022 1.00 0.10 C ATOM 0 H THR A 7 10.025 -3.945 6.082 1.00 0.10 H new ATOM 0 HA THR A 7 8.960 -2.398 3.825 1.00 0.10 H new ATOM 0 HB THR A 7 8.061 -5.190 4.650 1.00 0.10 H new ATOM 0 HG1 THR A 7 9.721 -4.267 2.489 1.00 0.10 H new ATOM 0 HG21 THR A 7 6.770 -5.132 2.540 1.00 0.10 H new ATOM 0 HG22 THR A 7 6.268 -3.836 3.652 1.00 0.10 H new ATOM 0 HG23 THR A 7 7.312 -3.460 2.260 1.00 0.10 H new ATOM 109 N LEU A 8 7.369 -1.420 5.471 1.00 0.02 N ATOM 110 CA LEU A 8 6.303 -0.869 6.265 1.00 0.02 C ATOM 111 C LEU A 8 5.046 -0.850 5.418 1.00 0.02 C ATOM 112 O LEU A 8 5.098 -0.516 4.242 1.00 0.02 O ATOM 113 CB LEU A 8 6.636 0.541 6.710 1.00 0.02 C ATOM 114 CG LEU A 8 5.427 1.323 7.177 1.00 0.02 C ATOM 115 CD1 LEU A 8 5.640 1.857 8.578 1.00 0.02 C ATOM 116 CD2 LEU A 8 5.112 2.436 6.203 1.00 0.02 C ATOM 0 H LEU A 8 7.855 -0.739 4.887 1.00 0.02 H new ATOM 0 HA LEU A 8 6.160 -1.480 7.156 1.00 0.02 H new ATOM 0 HB2 LEU A 8 7.366 0.497 7.518 1.00 0.02 H new ATOM 0 HB3 LEU A 8 7.107 1.073 5.884 1.00 0.02 H new ATOM 0 HG LEU A 8 4.569 0.652 7.209 1.00 0.02 H new ATOM 0 HD11 LEU A 8 4.758 2.415 8.892 1.00 0.02 H new ATOM 0 HD12 LEU A 8 5.806 1.026 9.263 1.00 0.02 H new ATOM 0 HD13 LEU A 8 6.509 2.515 8.588 1.00 0.02 H new ATOM 0 HD21 LEU A 8 4.240 2.989 6.552 1.00 0.02 H new ATOM 0 HD22 LEU A 8 5.966 3.110 6.133 1.00 0.02 H new ATOM 0 HD23 LEU A 8 4.903 2.012 5.221 1.00 0.02 H new ATOM 128 N ILE A 9 3.926 -1.206 6.003 1.00 0.06 N ATOM 129 CA ILE A 9 2.676 -1.228 5.268 1.00 0.06 C ATOM 130 C ILE A 9 1.574 -0.637 6.128 1.00 0.06 C ATOM 131 O ILE A 9 1.547 -0.867 7.327 1.00 0.06 O ATOM 132 CB ILE A 9 2.352 -2.674 4.830 1.00 0.06 C ATOM 133 CG1 ILE A 9 3.481 -3.187 3.923 1.00 0.06 C ATOM 134 CG2 ILE A 9 1.005 -2.762 4.127 1.00 0.06 C ATOM 135 CD1 ILE A 9 3.238 -4.561 3.345 1.00 0.06 C ATOM 0 H ILE A 9 3.851 -1.484 6.982 1.00 0.06 H new ATOM 0 HA ILE A 9 2.760 -0.622 4.366 1.00 0.06 H new ATOM 0 HB ILE A 9 2.283 -3.302 5.718 1.00 0.06 H new ATOM 0 HG12 ILE A 9 3.623 -2.481 3.105 1.00 0.06 H new ATOM 0 HG13 ILE A 9 4.410 -3.205 4.493 1.00 0.06 H new ATOM 0 HG21 ILE A 9 0.814 -3.795 3.835 1.00 0.06 H new ATOM 0 HG22 ILE A 9 0.219 -2.425 4.803 1.00 0.06 H new ATOM 0 HG23 ILE A 9 1.016 -2.130 3.239 1.00 0.06 H new ATOM 0 HD11 ILE A 9 4.082 -4.846 2.718 1.00 0.06 H new ATOM 0 HD12 ILE A 9 3.127 -5.282 4.155 1.00 0.06 H new ATOM 0 HD13 ILE A 9 2.328 -4.547 2.745 1.00 0.06 H new ATOM 147 N TYR A 10 0.687 0.153 5.533 1.00 0.03 N ATOM 148 CA TYR A 10 -0.378 0.786 6.299 1.00 0.03 C ATOM 149 C TYR A 10 -1.653 0.911 5.480 1.00 0.03 C ATOM 150 O TYR A 10 -1.644 0.716 4.266 1.00 0.03 O ATOM 151 CB TYR A 10 0.071 2.176 6.763 1.00 0.03 C ATOM 152 CG TYR A 10 0.525 3.070 5.630 1.00 0.03 C ATOM 153 CD1 TYR A 10 -0.380 3.859 4.931 1.00 0.03 C ATOM 154 CD2 TYR A 10 1.861 3.118 5.257 1.00 0.03 C ATOM 155 CE1 TYR A 10 0.035 4.671 3.893 1.00 0.03 C ATOM 156 CE2 TYR A 10 2.285 3.926 4.219 1.00 0.03 C ATOM 157 CZ TYR A 10 1.369 4.701 3.541 1.00 0.03 C ATOM 158 OH TYR A 10 1.786 5.502 2.503 1.00 0.03 O ATOM 0 H TYR A 10 0.684 0.368 4.536 1.00 0.03 H new ATOM 0 HA TYR A 10 -0.589 0.157 7.164 1.00 0.03 H new ATOM 0 HB2 TYR A 10 -0.752 2.659 7.289 1.00 0.03 H new ATOM 0 HB3 TYR A 10 0.886 2.066 7.478 1.00 0.03 H new ATOM 0 HD1 TYR A 10 -1.425 3.837 5.203 1.00 0.03 H new ATOM 0 HD2 TYR A 10 2.582 2.513 5.787 1.00 0.03 H new ATOM 0 HE1 TYR A 10 -0.681 5.279 3.360 1.00 0.03 H new ATOM 0 HE2 TYR A 10 3.328 3.950 3.941 1.00 0.03 H new ATOM 0 HH TYR A 10 2.754 5.407 2.385 1.00 0.03 H new ATOM 168 N ARG A 11 -2.751 1.236 6.154 1.00 0.06 N ATOM 169 CA ARG A 11 -4.027 1.406 5.476 1.00 0.06 C ATOM 170 C ARG A 11 -4.883 2.457 6.168 1.00 0.06 C ATOM 171 O ARG A 11 -5.014 2.464 7.392 1.00 0.06 O ATOM 172 CB ARG A 11 -4.780 0.080 5.381 1.00 0.06 C ATOM 173 CG ARG A 11 -5.481 -0.338 6.659 1.00 0.06 C ATOM 174 CD ARG A 11 -6.162 -1.686 6.488 1.00 0.06 C ATOM 175 NE ARG A 11 -6.888 -2.095 7.686 1.00 0.06 N ATOM 176 CZ ARG A 11 -7.897 -2.962 7.674 1.00 0.06 C ATOM 177 NH1 ARG A 11 -8.295 -3.504 6.530 1.00 0.06 N ATOM 178 NH2 ARG A 11 -8.507 -3.289 8.804 1.00 0.06 N ATOM 0 H ARG A 11 -2.782 1.386 7.162 1.00 0.06 H new ATOM 0 HA ARG A 11 -3.817 1.753 4.464 1.00 0.06 H new ATOM 0 HB2 ARG A 11 -5.519 0.153 4.583 1.00 0.06 H new ATOM 0 HB3 ARG A 11 -4.077 -0.703 5.094 1.00 0.06 H new ATOM 0 HG2 ARG A 11 -4.759 -0.392 7.474 1.00 0.06 H new ATOM 0 HG3 ARG A 11 -6.219 0.414 6.936 1.00 0.06 H new ATOM 0 HD2 ARG A 11 -6.853 -1.638 5.646 1.00 0.06 H new ATOM 0 HD3 ARG A 11 -5.414 -2.440 6.244 1.00 0.06 H new ATOM 0 HE ARG A 11 -6.607 -1.695 8.581 1.00 0.06 H new ATOM 0 HH11 ARG A 11 -7.827 -3.256 5.658 1.00 0.06 H new ATOM 0 HH12 ARG A 11 -9.069 -4.169 6.522 1.00 0.06 H new ATOM 0 HH21 ARG A 11 -8.203 -2.876 9.686 1.00 0.06 H new ATOM 0 HH22 ARG A 11 -9.280 -3.954 8.792 1.00 0.06 H new ATOM 192 N SER A 12 -5.467 3.340 5.369 1.00 0.09 N ATOM 193 CA SER A 12 -6.304 4.410 5.887 1.00 0.09 C ATOM 194 C SER A 12 -7.686 4.353 5.271 1.00 0.09 C ATOM 195 O SER A 12 -8.142 3.296 4.841 1.00 0.09 O ATOM 196 CB SER A 12 -5.682 5.762 5.558 1.00 0.09 C ATOM 197 OG SER A 12 -5.732 6.010 4.165 1.00 0.09 O ATOM 0 H SER A 12 -5.374 3.334 4.353 1.00 0.09 H new ATOM 0 HA SER A 12 -6.382 4.285 6.967 1.00 0.09 H new ATOM 0 HB2 SER A 12 -6.211 6.551 6.092 1.00 0.09 H new ATOM 0 HB3 SER A 12 -4.647 5.785 5.900 1.00 0.09 H new ATOM 0 HG SER A 12 -4.823 6.000 3.798 1.00 0.09 H new ATOM 203 N GLN A 13 -8.351 5.501 5.236 1.00 0.04 N ATOM 204 CA GLN A 13 -9.671 5.582 4.640 1.00 0.04 C ATOM 205 C GLN A 13 -9.721 6.671 3.588 1.00 0.04 C ATOM 206 O GLN A 13 -8.795 6.849 2.799 1.00 0.04 O ATOM 207 CB GLN A 13 -10.744 5.858 5.683 1.00 0.04 C ATOM 208 CG GLN A 13 -10.540 5.128 6.980 1.00 0.04 C ATOM 209 CD GLN A 13 -11.816 4.647 7.607 1.00 0.04 C ATOM 210 OE1 GLN A 13 -11.841 3.640 8.314 1.00 0.04 O ATOM 211 NE2 GLN A 13 -12.881 5.363 7.351 1.00 0.04 N ATOM 0 H GLN A 13 -7.998 6.381 5.612 1.00 0.04 H new ATOM 0 HA GLN A 13 -9.868 4.614 4.179 1.00 0.04 H new ATOM 0 HB2 GLN A 13 -10.775 6.929 5.882 1.00 0.04 H new ATOM 0 HB3 GLN A 13 -11.715 5.582 5.272 1.00 0.04 H new ATOM 0 HG2 GLN A 13 -9.886 4.274 6.807 1.00 0.04 H new ATOM 0 HG3 GLN A 13 -10.026 5.786 7.681 1.00 0.04 H new ATOM 0 HE21 GLN A 13 -12.809 6.190 6.759 1.00 0.04 H new ATOM 0 HE22 GLN A 13 -13.783 5.094 7.744 1.00 0.04 H new ATOM 220 N VAL A 14 -10.826 7.390 3.597 1.00 0.03 N ATOM 221 CA VAL A 14 -11.062 8.474 2.663 1.00 0.03 C ATOM 222 C VAL A 14 -12.320 9.227 3.083 1.00 0.03 C ATOM 223 O VAL A 14 -12.835 8.993 4.171 1.00 0.03 O ATOM 224 CB VAL A 14 -11.241 7.912 1.240 1.00 0.03 C ATOM 225 CG1 VAL A 14 -12.615 7.278 1.105 1.00 0.03 C ATOM 226 CG2 VAL A 14 -11.018 8.986 0.183 1.00 0.03 C ATOM 0 H VAL A 14 -11.590 7.238 4.256 1.00 0.03 H new ATOM 0 HA VAL A 14 -10.209 9.152 2.668 1.00 0.03 H new ATOM 0 HB VAL A 14 -10.486 7.144 1.074 1.00 0.03 H new ATOM 0 HG11 VAL A 14 -12.736 6.882 0.097 1.00 0.03 H new ATOM 0 HG12 VAL A 14 -12.714 6.468 1.827 1.00 0.03 H new ATOM 0 HG13 VAL A 14 -13.382 8.029 1.294 1.00 0.03 H new ATOM 0 HG21 VAL A 14 -11.152 8.554 -0.809 1.00 0.03 H new ATOM 0 HG22 VAL A 14 -11.736 9.793 0.327 1.00 0.03 H new ATOM 0 HG23 VAL A 14 -10.006 9.380 0.273 1.00 0.03 H new ATOM 236 N HIS A 15 -12.797 10.141 2.244 1.00 0.03 N ATOM 237 CA HIS A 15 -14.001 10.881 2.534 1.00 0.03 C ATOM 238 C HIS A 15 -15.225 10.161 1.959 1.00 0.03 C ATOM 239 O HIS A 15 -15.553 10.326 0.784 1.00 0.03 O ATOM 240 CB HIS A 15 -13.906 12.258 1.919 1.00 0.03 C ATOM 241 CG HIS A 15 -12.539 12.867 1.959 1.00 0.03 C ATOM 242 ND1 HIS A 15 -11.683 12.866 0.879 1.00 0.03 N ATOM 243 CD2 HIS A 15 -11.892 13.526 2.950 1.00 0.03 C ATOM 244 CE1 HIS A 15 -10.569 13.497 1.203 1.00 0.03 C ATOM 245 NE2 HIS A 15 -10.671 13.907 2.453 1.00 0.03 N ATOM 0 H HIS A 15 -12.359 10.382 1.355 1.00 0.03 H new ATOM 0 HA HIS A 15 -14.109 10.960 3.616 1.00 0.03 H new ATOM 0 HB2 HIS A 15 -14.233 12.201 0.881 1.00 0.03 H new ATOM 0 HB3 HIS A 15 -14.600 12.921 2.436 1.00 0.03 H new ATOM 0 HD1 HIS A 15 -11.879 12.444 -0.029 1.00 0.03 H new ATOM 0 HD2 HIS A 15 -12.267 13.716 3.945 1.00 0.03 H new ATOM 0 HE1 HIS A 15 -9.719 13.651 0.555 1.00 0.03 H new ATOM 254 N PRO A 16 -15.912 9.354 2.780 1.00 0.00 N ATOM 255 CA PRO A 16 -17.105 8.604 2.360 1.00 0.00 C ATOM 256 C PRO A 16 -18.220 9.504 1.851 1.00 0.00 C ATOM 257 O PRO A 16 -19.165 9.043 1.211 1.00 0.00 O ATOM 258 CB PRO A 16 -17.549 7.897 3.641 1.00 0.00 C ATOM 259 CG PRO A 16 -16.901 8.663 4.743 1.00 0.00 C ATOM 260 CD PRO A 16 -15.586 9.105 4.184 1.00 0.00 C ATOM 0 HA PRO A 16 -16.882 7.932 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.634 7.903 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.234 6.853 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.510 9.516 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.765 8.042 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.214 10.001 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.819 8.338 4.294 1.00 0.00 H new ATOM 268 N ASP A 17 -18.100 10.787 2.143 1.00 0.03 N ATOM 269 CA ASP A 17 -19.105 11.764 1.732 1.00 0.03 C ATOM 270 C ASP A 17 -18.617 12.634 0.574 1.00 0.03 C ATOM 271 O ASP A 17 -19.390 12.976 -0.322 1.00 0.03 O ATOM 272 CB ASP A 17 -19.491 12.651 2.917 1.00 0.03 C ATOM 273 CG ASP A 17 -20.603 13.623 2.574 1.00 0.03 C ATOM 274 OD1 ASP A 17 -21.786 13.245 2.713 1.00 0.03 O ATOM 275 OD2 ASP A 17 -20.291 14.761 2.166 1.00 0.03 O ATOM 0 H ASP A 17 -17.317 11.182 2.664 1.00 0.03 H new ATOM 0 HA ASP A 17 -19.978 11.209 1.387 1.00 0.03 H new ATOM 0 HB2 ASP A 17 -19.806 12.023 3.750 1.00 0.03 H new ATOM 0 HB3 ASP A 17 -18.615 13.208 3.251 1.00 0.03 H new ATOM 280 N ARG A 18 -17.336 12.988 0.593 1.00 0.03 N ATOM 281 CA ARG A 18 -16.761 13.831 -0.451 1.00 0.03 C ATOM 282 C ARG A 18 -16.449 13.012 -1.712 1.00 0.03 C ATOM 283 O ARG A 18 -16.498 11.782 -1.680 1.00 0.03 O ATOM 284 CB ARG A 18 -15.511 14.533 0.086 1.00 0.03 C ATOM 285 CG ARG A 18 -15.720 15.155 1.454 1.00 0.03 C ATOM 286 CD ARG A 18 -14.490 15.912 1.926 1.00 0.03 C ATOM 287 NE ARG A 18 -14.741 16.638 3.168 1.00 0.03 N ATOM 288 CZ ARG A 18 -14.611 17.957 3.292 1.00 0.03 C ATOM 289 NH1 ARG A 18 -14.241 18.693 2.252 1.00 0.03 N ATOM 290 NH2 ARG A 18 -14.856 18.541 4.456 1.00 0.03 N ATOM 0 H ARG A 18 -16.677 12.705 1.318 1.00 0.03 H new ATOM 0 HA ARG A 18 -17.489 14.590 -0.736 1.00 0.03 H new ATOM 0 HB2 ARG A 18 -14.693 13.814 0.141 1.00 0.03 H new ATOM 0 HB3 ARG A 18 -15.207 15.309 -0.617 1.00 0.03 H new ATOM 0 HG2 ARG A 18 -16.572 15.834 1.418 1.00 0.03 H new ATOM 0 HG3 ARG A 18 -15.964 14.374 2.174 1.00 0.03 H new ATOM 0 HD2 ARG A 18 -13.668 15.212 2.074 1.00 0.03 H new ATOM 0 HD3 ARG A 18 -14.176 16.613 1.153 1.00 0.03 H new ATOM 0 HE ARG A 18 -15.032 16.104 3.987 1.00 0.03 H new ATOM 0 HH11 ARG A 18 -14.055 18.248 1.353 1.00 0.03 H new ATOM 0 HH12 ARG A 18 -14.143 19.703 2.351 1.00 0.03 H new ATOM 0 HH21 ARG A 18 -15.144 17.980 5.257 1.00 0.03 H new ATOM 0 HH22 ARG A 18 -14.756 19.552 4.551 1.00 0.03 H new ATOM 304 N PRO A 19 -16.124 13.681 -2.842 1.00 0.00 N ATOM 305 CA PRO A 19 -15.844 12.993 -4.111 1.00 0.00 C ATOM 306 C PRO A 19 -14.592 12.110 -4.074 1.00 0.00 C ATOM 307 O PRO A 19 -13.836 12.126 -3.102 1.00 0.00 O ATOM 308 CB PRO A 19 -15.678 14.131 -5.123 1.00 0.00 C ATOM 309 CG PRO A 19 -15.385 15.351 -4.322 1.00 0.00 C ATOM 310 CD PRO A 19 -16.005 15.146 -2.969 1.00 0.00 C ATOM 0 HA PRO A 19 -16.647 12.299 -4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.868 13.918 -5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.583 14.261 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.310 15.506 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.796 16.238 -4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.382 15.565 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.978 15.632 -2.899 1.00 0.00 H new ATOM 318 N PRO A 20 -14.368 11.320 -5.149 1.00 0.00 N ATOM 319 CA PRO A 20 -13.219 10.409 -5.258 1.00 0.00 C ATOM 320 C PRO A 20 -11.868 11.115 -5.161 1.00 0.00 C ATOM 321 O PRO A 20 -11.784 12.343 -5.201 1.00 0.00 O ATOM 322 CB PRO A 20 -13.384 9.774 -6.641 1.00 0.00 C ATOM 323 CG PRO A 20 -14.822 9.951 -6.978 1.00 0.00 C ATOM 324 CD PRO A 20 -15.228 11.248 -6.345 1.00 0.00 C ATOM 0 HA PRO A 20 -13.214 9.693 -4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.744 10.260 -7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.109 8.719 -6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.971 9.978 -8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.419 9.124 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.061 12.093 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.286 11.255 -6.082 1.00 0.00 H new ATOM 332 N VAL A 21 -10.814 10.312 -5.027 1.00 0.05 N ATOM 333 CA VAL A 21 -9.450 10.811 -4.916 1.00 0.05 C ATOM 334 C VAL A 21 -8.763 10.894 -6.275 1.00 0.05 C ATOM 335 O VAL A 21 -9.126 10.181 -7.211 1.00 0.05 O ATOM 336 CB VAL A 21 -8.616 9.885 -4.020 1.00 0.05 C ATOM 337 CG1 VAL A 21 -7.178 10.341 -3.969 1.00 0.05 C ATOM 338 CG2 VAL A 21 -9.189 9.811 -2.621 1.00 0.05 C ATOM 0 H VAL A 21 -10.885 9.295 -4.993 1.00 0.05 H new ATOM 0 HA VAL A 21 -9.514 11.810 -4.486 1.00 0.05 H new ATOM 0 HB VAL A 21 -8.652 8.887 -4.456 1.00 0.05 H new ATOM 0 HG11 VAL A 21 -6.606 9.670 -3.328 1.00 0.05 H new ATOM 0 HG12 VAL A 21 -6.757 10.330 -4.974 1.00 0.05 H new ATOM 0 HG13 VAL A 21 -7.131 11.353 -3.568 1.00 0.05 H new ATOM 0 HG21 VAL A 21 -8.576 9.147 -2.011 1.00 0.05 H new ATOM 0 HG22 VAL A 21 -9.197 10.807 -2.178 1.00 0.05 H new ATOM 0 HG23 VAL A 21 -10.208 9.425 -2.665 1.00 0.05 H new ATOM 348 N ASP A 22 -7.770 11.774 -6.373 1.00 0.06 N ATOM 349 CA ASP A 22 -7.002 11.926 -7.598 1.00 0.06 C ATOM 350 C ASP A 22 -5.894 10.887 -7.630 1.00 0.06 C ATOM 351 O ASP A 22 -4.721 11.216 -7.697 1.00 0.06 O ATOM 352 CB ASP A 22 -6.421 13.338 -7.699 1.00 0.06 C ATOM 353 CG ASP A 22 -7.494 14.409 -7.656 1.00 0.06 C ATOM 354 OD1 ASP A 22 -8.022 14.763 -8.731 1.00 0.06 O ATOM 355 OD2 ASP A 22 -7.806 14.893 -6.548 1.00 0.06 O ATOM 0 H ASP A 22 -7.481 12.392 -5.615 1.00 0.06 H new ATOM 0 HA ASP A 22 -7.660 11.774 -8.454 1.00 0.06 H new ATOM 0 HB2 ASP A 22 -5.719 13.498 -6.881 1.00 0.06 H new ATOM 0 HB3 ASP A 22 -5.856 13.430 -8.627 1.00 0.06 H new ATOM 360 N LEU A 23 -6.309 9.629 -7.578 1.00 0.07 N ATOM 361 CA LEU A 23 -5.421 8.470 -7.581 1.00 0.07 C ATOM 362 C LEU A 23 -4.404 8.467 -8.714 1.00 0.07 C ATOM 363 O LEU A 23 -3.677 7.497 -8.885 1.00 0.07 O ATOM 364 CB LEU A 23 -6.281 7.233 -7.664 1.00 0.07 C ATOM 365 CG LEU A 23 -7.456 7.246 -6.695 1.00 0.07 C ATOM 366 CD1 LEU A 23 -8.425 6.126 -7.011 1.00 0.07 C ATOM 367 CD2 LEU A 23 -6.952 7.114 -5.271 1.00 0.07 C ATOM 0 H LEU A 23 -7.296 9.378 -7.531 1.00 0.07 H new ATOM 0 HA LEU A 23 -4.834 8.502 -6.663 1.00 0.07 H new ATOM 0 HB2 LEU A 23 -6.660 7.131 -8.681 1.00 0.07 H new ATOM 0 HB3 LEU A 23 -5.664 6.357 -7.464 1.00 0.07 H new ATOM 0 HG LEU A 23 -7.983 8.194 -6.802 1.00 0.07 H new ATOM 0 HD11 LEU A 23 -9.256 6.154 -6.306 1.00 0.07 H new ATOM 0 HD12 LEU A 23 -8.805 6.249 -8.025 1.00 0.07 H new ATOM 0 HD13 LEU A 23 -7.913 5.168 -6.929 1.00 0.07 H new ATOM 0 HD21 LEU A 23 -7.798 7.124 -4.583 1.00 0.07 H new ATOM 0 HD22 LEU A 23 -6.408 6.176 -5.163 1.00 0.07 H new ATOM 0 HD23 LEU A 23 -6.288 7.947 -5.041 1.00 0.07 H new ATOM 379 N ASP A 24 -4.397 9.504 -9.521 1.00 0.08 N ATOM 380 CA ASP A 24 -3.427 9.621 -10.593 1.00 0.08 C ATOM 381 C ASP A 24 -2.365 10.604 -10.164 1.00 0.08 C ATOM 382 O ASP A 24 -1.167 10.398 -10.348 1.00 0.08 O ATOM 383 CB ASP A 24 -4.108 10.106 -11.858 1.00 0.08 C ATOM 384 CG ASP A 24 -3.379 9.681 -13.118 1.00 0.08 C ATOM 385 OD1 ASP A 24 -2.466 10.415 -13.551 1.00 0.08 O ATOM 386 OD2 ASP A 24 -3.721 8.615 -13.671 1.00 0.08 O ATOM 0 H ASP A 24 -5.053 10.282 -9.457 1.00 0.08 H new ATOM 0 HA ASP A 24 -2.976 8.651 -10.799 1.00 0.08 H new ATOM 0 HB2 ASP A 24 -5.128 9.722 -11.886 1.00 0.08 H new ATOM 0 HB3 ASP A 24 -4.178 11.193 -11.833 1.00 0.08 H new ATOM 391 N ALA A 25 -2.858 11.677 -9.584 1.00 0.04 N ATOM 392 CA ALA A 25 -2.030 12.754 -9.072 1.00 0.04 C ATOM 393 C ALA A 25 -1.546 12.438 -7.658 1.00 0.04 C ATOM 394 O ALA A 25 -0.505 12.928 -7.212 1.00 0.04 O ATOM 395 CB ALA A 25 -2.835 14.045 -9.077 1.00 0.04 C ATOM 0 H ALA A 25 -3.858 11.830 -9.452 1.00 0.04 H new ATOM 0 HA ALA A 25 -1.153 12.866 -9.710 1.00 0.04 H new ATOM 0 HB1 ALA A 25 -2.220 14.859 -8.694 1.00 0.04 H new ATOM 0 HB2 ALA A 25 -3.147 14.275 -10.096 1.00 0.04 H new ATOM 0 HB3 ALA A 25 -3.715 13.927 -8.445 1.00 0.04 H new ATOM 401 N LEU A 26 -2.313 11.594 -6.979 1.00 0.12 N ATOM 402 CA LEU A 26 -2.035 11.191 -5.609 1.00 0.12 C ATOM 403 C LEU A 26 -0.794 10.314 -5.541 1.00 0.12 C ATOM 404 O LEU A 26 0.055 10.479 -4.664 1.00 0.12 O ATOM 405 CB LEU A 26 -3.270 10.452 -5.061 1.00 0.12 C ATOM 406 CG LEU A 26 -3.020 9.373 -4.001 1.00 0.12 C ATOM 407 CD1 LEU A 26 -4.270 9.162 -3.169 1.00 0.12 C ATOM 408 CD2 LEU A 26 -2.621 8.062 -4.651 1.00 0.12 C ATOM 0 H LEU A 26 -3.153 11.167 -7.369 1.00 0.12 H new ATOM 0 HA LEU A 26 -1.835 12.071 -4.998 1.00 0.12 H new ATOM 0 HB2 LEU A 26 -3.948 11.193 -4.637 1.00 0.12 H new ATOM 0 HB3 LEU A 26 -3.788 9.989 -5.901 1.00 0.12 H new ATOM 0 HG LEU A 26 -2.206 9.710 -3.359 1.00 0.12 H new ATOM 0 HD11 LEU A 26 -4.082 8.394 -2.419 1.00 0.12 H new ATOM 0 HD12 LEU A 26 -4.539 10.095 -2.674 1.00 0.12 H new ATOM 0 HD13 LEU A 26 -5.088 8.846 -3.816 1.00 0.12 H new ATOM 0 HD21 LEU A 26 -2.449 7.311 -3.880 1.00 0.12 H new ATOM 0 HD22 LEU A 26 -3.419 7.726 -5.313 1.00 0.12 H new ATOM 0 HD23 LEU A 26 -1.708 8.205 -5.228 1.00 0.12 H new ATOM 420 N VAL A 27 -0.703 9.384 -6.477 1.00 0.05 N ATOM 421 CA VAL A 27 0.420 8.462 -6.542 1.00 0.05 C ATOM 422 C VAL A 27 1.600 9.081 -7.288 1.00 0.05 C ATOM 423 O VAL A 27 2.757 8.782 -6.994 1.00 0.05 O ATOM 424 CB VAL A 27 0.004 7.140 -7.220 1.00 0.05 C ATOM 425 CG1 VAL A 27 -1.033 7.407 -8.295 1.00 0.05 C ATOM 426 CG2 VAL A 27 1.206 6.408 -7.803 1.00 0.05 C ATOM 0 H VAL A 27 -1.400 9.247 -7.209 1.00 0.05 H new ATOM 0 HA VAL A 27 0.732 8.251 -5.519 1.00 0.05 H new ATOM 0 HB VAL A 27 -0.434 6.495 -6.459 1.00 0.05 H new ATOM 0 HG11 VAL A 27 -1.319 6.467 -8.766 1.00 0.05 H new ATOM 0 HG12 VAL A 27 -1.912 7.870 -7.846 1.00 0.05 H new ATOM 0 HG13 VAL A 27 -0.614 8.077 -9.046 1.00 0.05 H new ATOM 0 HG21 VAL A 27 0.875 5.482 -8.272 1.00 0.05 H new ATOM 0 HG22 VAL A 27 1.690 7.039 -8.548 1.00 0.05 H new ATOM 0 HG23 VAL A 27 1.914 6.179 -7.006 1.00 0.05 H new ATOM 436 N HIS A 28 1.298 9.947 -8.249 1.00 0.02 N ATOM 437 CA HIS A 28 2.334 10.603 -9.040 1.00 0.02 C ATOM 438 C HIS A 28 3.297 11.376 -8.146 1.00 0.02 C ATOM 439 O HIS A 28 4.505 11.136 -8.166 1.00 0.02 O ATOM 440 CB HIS A 28 1.705 11.546 -10.063 1.00 0.02 C ATOM 441 CG HIS A 28 2.671 12.045 -11.092 1.00 0.02 C ATOM 442 ND1 HIS A 28 2.987 11.336 -12.233 1.00 0.02 N ATOM 443 CD2 HIS A 28 3.391 13.190 -11.151 1.00 0.02 C ATOM 444 CE1 HIS A 28 3.860 12.024 -12.948 1.00 0.02 C ATOM 445 NE2 HIS A 28 4.121 13.152 -12.314 1.00 0.02 N ATOM 0 H HIS A 28 0.345 10.211 -8.499 1.00 0.02 H new ATOM 0 HA HIS A 28 2.895 9.830 -9.565 1.00 0.02 H new ATOM 0 HB2 HIS A 28 0.887 11.030 -10.565 1.00 0.02 H new ATOM 0 HB3 HIS A 28 1.271 12.399 -9.540 1.00 0.02 H new ATOM 0 HD2 HIS A 28 3.391 13.985 -10.420 1.00 0.02 H new ATOM 0 HE1 HIS A 28 4.287 11.716 -13.891 1.00 0.02 H new ATOM 0 HE2 HIS A 28 4.761 13.878 -12.636 1.00 0.02 H new ATOM 454 N ARG A 29 2.757 12.304 -7.364 1.00 0.10 N ATOM 455 CA ARG A 29 3.574 13.111 -6.462 1.00 0.10 C ATOM 456 C ARG A 29 4.283 12.241 -5.426 1.00 0.10 C ATOM 457 O ARG A 29 5.301 12.640 -4.860 1.00 0.10 O ATOM 458 CB ARG A 29 2.714 14.167 -5.763 1.00 0.10 C ATOM 459 CG ARG A 29 2.547 15.449 -6.567 1.00 0.10 C ATOM 460 CD ARG A 29 1.825 15.201 -7.882 1.00 0.10 C ATOM 461 NE ARG A 29 1.756 16.407 -8.703 1.00 0.10 N ATOM 462 CZ ARG A 29 0.730 16.704 -9.495 1.00 0.10 C ATOM 463 NH1 ARG A 29 -0.312 15.887 -9.574 1.00 0.10 N ATOM 464 NH2 ARG A 29 0.746 17.821 -10.211 1.00 0.10 N ATOM 0 H ARG A 29 1.760 12.517 -7.335 1.00 0.10 H new ATOM 0 HA ARG A 29 4.335 13.612 -7.061 1.00 0.10 H new ATOM 0 HB2 ARG A 29 1.730 13.745 -5.560 1.00 0.10 H new ATOM 0 HB3 ARG A 29 3.162 14.409 -4.799 1.00 0.10 H new ATOM 0 HG2 ARG A 29 1.990 16.177 -5.978 1.00 0.10 H new ATOM 0 HG3 ARG A 29 3.527 15.883 -6.767 1.00 0.10 H new ATOM 0 HD2 ARG A 29 2.339 14.415 -8.435 1.00 0.10 H new ATOM 0 HD3 ARG A 29 0.816 14.842 -7.680 1.00 0.10 H new ATOM 0 HE ARG A 29 2.540 17.059 -8.667 1.00 0.10 H new ATOM 0 HH11 ARG A 29 -0.328 15.027 -9.026 1.00 0.10 H new ATOM 0 HH12 ARG A 29 -1.097 16.119 -10.183 1.00 0.10 H new ATOM 0 HH21 ARG A 29 1.545 18.452 -10.154 1.00 0.10 H new ATOM 0 HH22 ARG A 29 -0.041 18.049 -10.819 1.00 0.10 H new ATOM 478 N ALA A 30 3.741 11.054 -5.180 1.00 0.08 N ATOM 479 CA ALA A 30 4.325 10.131 -4.214 1.00 0.08 C ATOM 480 C ALA A 30 5.569 9.452 -4.777 1.00 0.08 C ATOM 481 O ALA A 30 6.632 9.468 -4.158 1.00 0.08 O ATOM 482 CB ALA A 30 3.303 9.086 -3.802 1.00 0.08 C ATOM 0 H ALA A 30 2.897 10.708 -5.637 1.00 0.08 H new ATOM 0 HA ALA A 30 4.622 10.708 -3.338 1.00 0.08 H new ATOM 0 HB1 ALA A 30 3.752 8.403 -3.081 1.00 0.08 H new ATOM 0 HB2 ALA A 30 2.442 9.578 -3.349 1.00 0.08 H new ATOM 0 HB3 ALA A 30 2.981 8.526 -4.680 1.00 0.08 H new ATOM 488 N SER A 31 5.420 8.852 -5.954 1.00 0.18 N ATOM 489 CA SER A 31 6.521 8.160 -6.614 1.00 0.18 C ATOM 490 C SER A 31 7.732 9.071 -6.767 1.00 0.18 C ATOM 491 O SER A 31 8.862 8.652 -6.538 1.00 0.18 O ATOM 492 CB SER A 31 6.080 7.650 -7.987 1.00 0.18 C ATOM 493 OG SER A 31 7.149 7.009 -8.662 1.00 0.18 O ATOM 0 H SER A 31 4.542 8.832 -6.473 1.00 0.18 H new ATOM 0 HA SER A 31 6.805 7.313 -5.989 1.00 0.18 H new ATOM 0 HB2 SER A 31 5.250 6.953 -7.870 1.00 0.18 H new ATOM 0 HB3 SER A 31 5.714 8.483 -8.587 1.00 0.18 H new ATOM 0 HG SER A 31 6.840 6.691 -9.536 1.00 0.18 H new ATOM 499 N SER A 32 7.488 10.316 -7.154 1.00 0.17 N ATOM 500 CA SER A 32 8.539 11.281 -7.345 1.00 0.17 C ATOM 501 C SER A 32 9.372 11.473 -6.080 1.00 0.17 C ATOM 502 O SER A 32 10.548 11.823 -6.152 1.00 0.17 O ATOM 503 CB SER A 32 7.907 12.592 -7.767 1.00 0.17 C ATOM 504 OG SER A 32 7.155 13.166 -6.713 1.00 0.17 O ATOM 0 H SER A 32 6.552 10.676 -7.342 1.00 0.17 H new ATOM 0 HA SER A 32 9.219 10.919 -8.116 1.00 0.17 H new ATOM 0 HB2 SER A 32 8.685 13.288 -8.082 1.00 0.17 H new ATOM 0 HB3 SER A 32 7.260 12.425 -8.629 1.00 0.17 H new ATOM 0 HG SER A 32 6.701 12.457 -6.212 1.00 0.17 H new ATOM 510 N LYS A 33 8.747 11.268 -4.924 1.00 0.05 N ATOM 511 CA LYS A 33 9.431 11.419 -3.644 1.00 0.05 C ATOM 512 C LYS A 33 10.150 10.138 -3.222 1.00 0.05 C ATOM 513 O LYS A 33 11.325 10.159 -2.866 1.00 0.05 O ATOM 514 CB LYS A 33 8.435 11.837 -2.560 1.00 0.05 C ATOM 515 CG LYS A 33 9.083 12.129 -1.217 1.00 0.05 C ATOM 516 CD LYS A 33 8.067 12.641 -0.209 1.00 0.05 C ATOM 517 CE LYS A 33 8.126 11.852 1.088 1.00 0.05 C ATOM 518 NZ LYS A 33 7.798 12.696 2.270 1.00 0.05 N ATOM 0 H LYS A 33 7.767 10.997 -4.848 1.00 0.05 H new ATOM 0 HA LYS A 33 10.185 12.196 -3.769 1.00 0.05 H new ATOM 0 HB2 LYS A 33 7.898 12.724 -2.895 1.00 0.05 H new ATOM 0 HB3 LYS A 33 7.696 11.046 -2.433 1.00 0.05 H new ATOM 0 HG2 LYS A 33 9.553 11.223 -0.834 1.00 0.05 H new ATOM 0 HG3 LYS A 33 9.874 12.868 -1.346 1.00 0.05 H new ATOM 0 HD2 LYS A 33 8.255 13.695 -0.004 1.00 0.05 H new ATOM 0 HD3 LYS A 33 7.065 12.572 -0.633 1.00 0.05 H new ATOM 0 HE2 LYS A 33 7.429 11.015 1.035 1.00 0.05 H new ATOM 0 HE3 LYS A 33 9.123 11.429 1.210 1.00 0.05 H new ATOM 0 HZ1 LYS A 33 7.850 12.119 3.134 1.00 0.05 H new ATOM 0 HZ2 LYS A 33 8.478 13.480 2.336 1.00 0.05 H new ATOM 0 HZ3 LYS A 33 6.837 13.079 2.167 1.00 0.05 H new ATOM 532 N ASN A 34 9.430 9.027 -3.275 1.00 0.07 N ATOM 533 CA ASN A 34 9.966 7.727 -2.869 1.00 0.07 C ATOM 534 C ASN A 34 11.087 7.251 -3.786 1.00 0.07 C ATOM 535 O ASN A 34 12.056 6.650 -3.327 1.00 0.07 O ATOM 536 CB ASN A 34 8.844 6.685 -2.844 1.00 0.07 C ATOM 537 CG ASN A 34 7.834 6.949 -1.743 1.00 0.07 C ATOM 538 OD1 ASN A 34 7.765 8.053 -1.205 1.00 0.07 O ATOM 539 ND2 ASN A 34 7.033 5.940 -1.409 1.00 0.07 N ATOM 0 H ASN A 34 8.463 8.996 -3.598 1.00 0.07 H new ATOM 0 HA ASN A 34 10.387 7.848 -1.871 1.00 0.07 H new ATOM 0 HB2 ASN A 34 8.334 6.681 -3.807 1.00 0.07 H new ATOM 0 HB3 ASN A 34 9.276 5.693 -2.707 1.00 0.07 H new ATOM 0 HD21 ASN A 34 6.329 6.067 -0.682 1.00 0.07 H new ATOM 0 HD22 ASN A 34 7.123 5.040 -1.880 1.00 0.07 H new ATOM 546 N LEU A 35 10.958 7.521 -5.078 1.00 0.12 N ATOM 547 CA LEU A 35 11.960 7.095 -6.049 1.00 0.12 C ATOM 548 C LEU A 35 13.368 7.519 -5.628 1.00 0.12 C ATOM 549 O LEU A 35 14.238 6.672 -5.423 1.00 0.12 O ATOM 550 CB LEU A 35 11.646 7.660 -7.430 1.00 0.12 C ATOM 551 CG LEU A 35 11.621 6.633 -8.558 1.00 0.12 C ATOM 552 CD1 LEU A 35 10.209 6.112 -8.770 1.00 0.12 C ATOM 553 CD2 LEU A 35 12.176 7.239 -9.837 1.00 0.12 C ATOM 0 H LEU A 35 10.171 8.032 -5.479 1.00 0.12 H new ATOM 0 HA LEU A 35 11.928 6.006 -6.090 1.00 0.12 H new ATOM 0 HB2 LEU A 35 10.677 8.157 -7.390 1.00 0.12 H new ATOM 0 HB3 LEU A 35 12.386 8.423 -7.670 1.00 0.12 H new ATOM 0 HG LEU A 35 12.254 5.791 -8.279 1.00 0.12 H new ATOM 0 HD11 LEU A 35 10.209 5.380 -9.578 1.00 0.12 H new ATOM 0 HD12 LEU A 35 9.854 5.641 -7.854 1.00 0.12 H new ATOM 0 HD13 LEU A 35 9.551 6.941 -9.031 1.00 0.12 H new ATOM 0 HD21 LEU A 35 12.152 6.494 -10.633 1.00 0.12 H new ATOM 0 HD22 LEU A 35 11.570 8.098 -10.125 1.00 0.12 H new ATOM 0 HD23 LEU A 35 13.205 7.560 -9.671 1.00 0.12 H new ATOM 565 N PRO A 36 13.614 8.837 -5.490 1.00 0.00 N ATOM 566 CA PRO A 36 14.924 9.353 -5.098 1.00 0.00 C ATOM 567 C PRO A 36 15.264 8.993 -3.659 1.00 0.00 C ATOM 568 O PRO A 36 16.432 8.894 -3.284 1.00 0.00 O ATOM 569 CB PRO A 36 14.778 10.861 -5.254 1.00 0.00 C ATOM 570 CG PRO A 36 13.322 11.113 -5.086 1.00 0.00 C ATOM 571 CD PRO A 36 12.640 9.921 -5.688 1.00 0.00 C ATOM 0 HA PRO A 36 15.730 8.933 -5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.362 11.396 -4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.129 11.195 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.061 11.225 -4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.022 12.033 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.693 9.706 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.419 10.075 -6.744 1.00 0.00 H new ATOM 579 N LEU A 37 14.221 8.802 -2.861 1.00 0.15 N ATOM 580 CA LEU A 37 14.369 8.446 -1.456 1.00 0.15 C ATOM 581 C LEU A 37 14.868 7.017 -1.310 1.00 0.15 C ATOM 582 O LEU A 37 15.432 6.641 -0.282 1.00 0.15 O ATOM 583 CB LEU A 37 13.027 8.613 -0.747 1.00 0.15 C ATOM 584 CG LEU A 37 12.875 9.902 0.056 1.00 0.15 C ATOM 585 CD1 LEU A 37 13.174 11.115 -0.815 1.00 0.15 C ATOM 586 CD2 LEU A 37 11.475 9.993 0.640 1.00 0.15 C ATOM 0 H LEU A 37 13.252 8.889 -3.168 1.00 0.15 H new ATOM 0 HA LEU A 37 15.105 9.108 -1.000 1.00 0.15 H new ATOM 0 HB2 LEU A 37 12.232 8.572 -1.492 1.00 0.15 H new ATOM 0 HB3 LEU A 37 12.880 7.766 -0.077 1.00 0.15 H new ATOM 0 HG LEU A 37 13.593 9.888 0.876 1.00 0.15 H new ATOM 0 HD11 LEU A 37 13.060 12.024 -0.224 1.00 0.15 H new ATOM 0 HD12 LEU A 37 14.196 11.051 -1.189 1.00 0.15 H new ATOM 0 HD13 LEU A 37 12.480 11.139 -1.656 1.00 0.15 H new ATOM 0 HD21 LEU A 37 11.378 10.917 1.211 1.00 0.15 H new ATOM 0 HD22 LEU A 37 10.743 9.987 -0.167 1.00 0.15 H new ATOM 0 HD23 LEU A 37 11.298 9.141 1.296 1.00 0.15 H new ATOM 598 N GLY A 38 14.651 6.229 -2.352 1.00 0.12 N ATOM 599 CA GLY A 38 15.076 4.842 -2.342 1.00 0.12 C ATOM 600 C GLY A 38 13.953 3.914 -1.931 1.00 0.12 C ATOM 601 O GLY A 38 14.152 2.709 -1.779 1.00 0.12 O ATOM 0 H GLY A 38 14.186 6.526 -3.210 1.00 0.12 H new ATOM 0 HA2 GLY A 38 15.433 4.564 -3.334 1.00 0.12 H new ATOM 0 HA3 GLY A 38 15.915 4.724 -1.656 1.00 0.12 H new ATOM 605 N ILE A 39 12.770 4.488 -1.752 1.00 0.02 N ATOM 606 CA ILE A 39 11.594 3.729 -1.354 1.00 0.02 C ATOM 607 C ILE A 39 10.856 3.176 -2.569 1.00 0.02 C ATOM 608 O ILE A 39 10.984 3.693 -3.679 1.00 0.02 O ATOM 609 CB ILE A 39 10.628 4.607 -0.539 1.00 0.02 C ATOM 610 CG1 ILE A 39 11.374 5.308 0.595 1.00 0.02 C ATOM 611 CG2 ILE A 39 9.476 3.776 0.008 1.00 0.02 C ATOM 612 CD1 ILE A 39 10.677 6.557 1.084 1.00 0.02 C ATOM 0 H ILE A 39 12.600 5.486 -1.878 1.00 0.02 H new ATOM 0 HA ILE A 39 11.939 2.898 -0.739 1.00 0.02 H new ATOM 0 HB ILE A 39 10.213 5.367 -1.200 1.00 0.02 H new ATOM 0 HG12 ILE A 39 11.490 4.615 1.428 1.00 0.02 H new ATOM 0 HG13 ILE A 39 12.376 5.569 0.255 1.00 0.02 H new ATOM 0 HG21 ILE A 39 8.805 4.416 0.581 1.00 0.02 H new ATOM 0 HG22 ILE A 39 8.928 3.325 -0.819 1.00 0.02 H new ATOM 0 HG23 ILE A 39 9.868 2.991 0.655 1.00 0.02 H new ATOM 0 HD11 ILE A 39 11.258 7.007 1.889 1.00 0.02 H new ATOM 0 HD12 ILE A 39 10.585 7.267 0.263 1.00 0.02 H new ATOM 0 HD13 ILE A 39 9.685 6.299 1.454 1.00 0.02 H new ATOM 624 N THR A 40 10.084 2.121 -2.345 1.00 0.11 N ATOM 625 CA THR A 40 9.310 1.488 -3.404 1.00 0.11 C ATOM 626 C THR A 40 8.033 0.890 -2.837 1.00 0.11 C ATOM 627 O THR A 40 7.951 0.628 -1.638 1.00 0.11 O ATOM 628 CB THR A 40 10.115 0.377 -4.098 1.00 0.11 C ATOM 629 OG1 THR A 40 11.301 0.095 -3.348 1.00 0.11 O ATOM 630 CG2 THR A 40 10.487 0.779 -5.517 1.00 0.11 C ATOM 0 H THR A 40 9.977 1.682 -1.430 1.00 0.11 H new ATOM 0 HA THR A 40 9.067 2.258 -4.137 1.00 0.11 H new ATOM 0 HB THR A 40 9.493 -0.517 -4.146 1.00 0.11 H new ATOM 0 HG1 THR A 40 11.292 -0.842 -3.063 1.00 0.11 H new ATOM 0 HG21 THR A 40 11.056 -0.024 -5.985 1.00 0.11 H new ATOM 0 HG22 THR A 40 9.580 0.965 -6.092 1.00 0.11 H new ATOM 0 HG23 THR A 40 11.092 1.685 -5.492 1.00 0.11 H new ATOM 638 N GLY A 41 7.031 0.678 -3.683 1.00 0.00 N ATOM 639 CA GLY A 41 5.797 0.107 -3.188 1.00 0.00 C ATOM 640 C GLY A 41 4.612 0.269 -4.114 1.00 0.00 C ATOM 641 O GLY A 41 4.763 0.529 -5.308 1.00 0.00 O ATOM 0 H GLY A 41 7.050 0.887 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.953 -0.956 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.558 0.567 -2.229 1.00 0.00 H new ATOM 645 N ILE A 42 3.425 0.106 -3.537 1.00 0.10 N ATOM 646 CA ILE A 42 2.172 0.212 -4.280 1.00 0.10 C ATOM 647 C ILE A 42 1.036 0.676 -3.377 1.00 0.10 C ATOM 648 O ILE A 42 0.975 0.319 -2.205 1.00 0.10 O ATOM 649 CB ILE A 42 1.779 -1.142 -4.901 1.00 0.10 C ATOM 650 CG1 ILE A 42 0.307 -1.151 -5.318 1.00 0.10 C ATOM 651 CG2 ILE A 42 2.023 -2.238 -3.893 1.00 0.10 C ATOM 652 CD1 ILE A 42 0.023 -2.007 -6.527 1.00 0.10 C ATOM 0 H ILE A 42 3.304 -0.102 -2.546 1.00 0.10 H new ATOM 0 HA ILE A 42 2.334 0.945 -5.071 1.00 0.10 H new ATOM 0 HB ILE A 42 2.387 -1.305 -5.791 1.00 0.10 H new ATOM 0 HG12 ILE A 42 -0.296 -1.507 -4.482 1.00 0.10 H new ATOM 0 HG13 ILE A 42 -0.009 -0.129 -5.526 1.00 0.10 H new ATOM 0 HG21 ILE A 42 1.747 -3.199 -4.327 1.00 0.10 H new ATOM 0 HG22 ILE A 42 3.078 -2.253 -3.620 1.00 0.10 H new ATOM 0 HG23 ILE A 42 1.421 -2.055 -3.003 1.00 0.10 H new ATOM 0 HD11 ILE A 42 -1.040 -1.963 -6.762 1.00 0.10 H new ATOM 0 HD12 ILE A 42 0.598 -1.639 -7.377 1.00 0.10 H new ATOM 0 HD13 ILE A 42 0.306 -3.038 -6.317 1.00 0.10 H new ATOM 664 N LEU A 43 0.131 1.456 -3.940 1.00 0.16 N ATOM 665 CA LEU A 43 -1.013 1.966 -3.202 1.00 0.16 C ATOM 666 C LEU A 43 -2.300 1.314 -3.688 1.00 0.16 C ATOM 667 O LEU A 43 -2.332 0.706 -4.757 1.00 0.16 O ATOM 668 CB LEU A 43 -1.120 3.480 -3.351 1.00 0.16 C ATOM 669 CG LEU A 43 -0.889 4.273 -2.072 1.00 0.16 C ATOM 670 CD1 LEU A 43 -1.162 5.739 -2.314 1.00 0.16 C ATOM 671 CD2 LEU A 43 -1.757 3.741 -0.945 1.00 0.16 C ATOM 0 H LEU A 43 0.166 1.753 -4.915 1.00 0.16 H new ATOM 0 HA LEU A 43 -0.867 1.723 -2.150 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -0.398 3.808 -4.099 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -2.110 3.722 -3.737 1.00 0.16 H new ATOM 0 HG LEU A 43 0.153 4.159 -1.774 1.00 0.16 H new ATOM 0 HD11 LEU A 43 -0.994 6.297 -1.393 1.00 0.16 H new ATOM 0 HD12 LEU A 43 -0.493 6.110 -3.091 1.00 0.16 H new ATOM 0 HD13 LEU A 43 -2.196 5.869 -2.633 1.00 0.16 H new ATOM 0 HD21 LEU A 43 -1.576 4.322 -0.041 1.00 0.16 H new ATOM 0 HD22 LEU A 43 -2.807 3.823 -1.225 1.00 0.16 H new ATOM 0 HD23 LEU A 43 -1.512 2.695 -0.759 1.00 0.16 H new ATOM 683 N LEU A 44 -3.355 1.436 -2.893 1.00 0.19 N ATOM 684 CA LEU A 44 -4.640 0.854 -3.240 1.00 0.19 C ATOM 685 C LEU A 44 -5.797 1.744 -2.810 1.00 0.19 C ATOM 686 O LEU A 44 -5.663 2.565 -1.906 1.00 0.19 O ATOM 687 CB LEU A 44 -4.786 -0.519 -2.594 1.00 0.19 C ATOM 688 CG LEU A 44 -4.088 -1.654 -3.329 1.00 0.19 C ATOM 689 CD1 LEU A 44 -2.657 -1.813 -2.851 1.00 0.19 C ATOM 690 CD2 LEU A 44 -4.858 -2.946 -3.149 1.00 0.19 C ATOM 0 H LEU A 44 -3.344 1.934 -2.003 1.00 0.19 H new ATOM 0 HA LEU A 44 -4.673 0.757 -4.325 1.00 0.19 H new ATOM 0 HB2 LEU A 44 -4.394 -0.469 -1.578 1.00 0.19 H new ATOM 0 HB3 LEU A 44 -5.847 -0.756 -2.515 1.00 0.19 H new ATOM 0 HG LEU A 44 -4.060 -1.409 -4.391 1.00 0.19 H new ATOM 0 HD11 LEU A 44 -2.181 -2.631 -3.392 1.00 0.19 H new ATOM 0 HD12 LEU A 44 -2.108 -0.889 -3.033 1.00 0.19 H new ATOM 0 HD13 LEU A 44 -2.652 -2.033 -1.784 1.00 0.19 H new ATOM 0 HD21 LEU A 44 -4.348 -3.750 -3.680 1.00 0.19 H new ATOM 0 HD22 LEU A 44 -4.916 -3.190 -2.088 1.00 0.19 H new ATOM 0 HD23 LEU A 44 -5.865 -2.828 -3.549 1.00 0.19 H new ATOM 702 N PHE A 45 -6.929 1.574 -3.479 1.00 0.10 N ATOM 703 CA PHE A 45 -8.134 2.331 -3.170 1.00 0.10 C ATOM 704 C PHE A 45 -9.362 1.492 -3.505 1.00 0.10 C ATOM 705 O PHE A 45 -9.422 0.874 -4.565 1.00 0.10 O ATOM 706 CB PHE A 45 -8.149 3.652 -3.940 1.00 0.10 C ATOM 707 CG PHE A 45 -9.270 4.572 -3.547 1.00 0.10 C ATOM 708 CD1 PHE A 45 -9.314 5.127 -2.278 1.00 0.10 C ATOM 709 CD2 PHE A 45 -10.274 4.887 -4.447 1.00 0.10 C ATOM 710 CE1 PHE A 45 -10.339 5.979 -1.914 1.00 0.10 C ATOM 711 CE2 PHE A 45 -11.302 5.738 -4.089 1.00 0.10 C ATOM 712 CZ PHE A 45 -11.335 6.285 -2.821 1.00 0.10 C ATOM 0 H PHE A 45 -7.038 0.911 -4.247 1.00 0.10 H new ATOM 0 HA PHE A 45 -8.148 2.566 -2.106 1.00 0.10 H new ATOM 0 HB2 PHE A 45 -7.200 4.164 -3.783 1.00 0.10 H new ATOM 0 HB3 PHE A 45 -8.223 3.439 -5.006 1.00 0.10 H new ATOM 0 HD1 PHE A 45 -8.538 4.891 -1.565 1.00 0.10 H new ATOM 0 HD2 PHE A 45 -10.253 4.463 -5.440 1.00 0.10 H new ATOM 0 HE1 PHE A 45 -10.361 6.405 -0.922 1.00 0.10 H new ATOM 0 HE2 PHE A 45 -12.079 5.975 -4.800 1.00 0.10 H new ATOM 0 HZ PHE A 45 -12.138 6.950 -2.539 1.00 0.10 H new ATOM 722 N ASN A 46 -10.342 1.471 -2.612 1.00 0.03 N ATOM 723 CA ASN A 46 -11.542 0.679 -2.834 1.00 0.03 C ATOM 724 C ASN A 46 -12.781 1.550 -2.723 1.00 0.03 C ATOM 725 O ASN A 46 -13.906 1.051 -2.687 1.00 0.03 O ATOM 726 CB ASN A 46 -11.614 -0.467 -1.824 1.00 0.03 C ATOM 727 CG ASN A 46 -12.036 0.003 -0.446 1.00 0.03 C ATOM 728 OD1 ASN A 46 -13.222 0.002 -0.115 1.00 0.03 O ATOM 729 ND2 ASN A 46 -11.068 0.413 0.364 1.00 0.03 N ATOM 0 H ASN A 46 -10.330 1.989 -1.734 1.00 0.03 H new ATOM 0 HA ASN A 46 -11.499 0.261 -3.840 1.00 0.03 H new ATOM 0 HB2 ASN A 46 -12.319 -1.218 -2.180 1.00 0.03 H new ATOM 0 HB3 ASN A 46 -10.639 -0.951 -1.757 1.00 0.03 H new ATOM 0 HD21 ASN A 46 -11.294 0.744 1.302 1.00 0.03 H new ATOM 0 HD22 ASN A 46 -10.098 0.397 0.049 1.00 0.03 H new ATOM 736 N GLY A 47 -12.565 2.859 -2.668 1.00 0.00 N ATOM 737 CA GLY A 47 -13.671 3.780 -2.556 1.00 0.00 C ATOM 738 C GLY A 47 -13.945 4.175 -1.125 1.00 0.00 C ATOM 739 O GLY A 47 -14.864 4.946 -0.849 1.00 0.00 O ATOM 0 H GLY A 47 -11.643 3.295 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.458 4.674 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.565 3.325 -2.982 1.00 0.00 H new ATOM 743 N LEU A 48 -13.144 3.643 -0.210 1.00 0.04 N ATOM 744 CA LEU A 48 -13.308 3.940 1.201 1.00 0.04 C ATOM 745 C LEU A 48 -11.967 3.946 1.923 1.00 0.04 C ATOM 746 O LEU A 48 -11.762 4.730 2.846 1.00 0.04 O ATOM 747 CB LEU A 48 -14.244 2.910 1.840 1.00 0.04 C ATOM 748 CG LEU A 48 -14.943 3.345 3.137 1.00 0.04 C ATOM 749 CD1 LEU A 48 -13.969 3.337 4.303 1.00 0.04 C ATOM 750 CD2 LEU A 48 -15.576 4.723 2.980 1.00 0.04 C ATOM 0 H LEU A 48 -12.377 3.005 -0.423 1.00 0.04 H new ATOM 0 HA LEU A 48 -13.744 4.935 1.293 1.00 0.04 H new ATOM 0 HB2 LEU A 48 -15.009 2.643 1.111 1.00 0.04 H new ATOM 0 HB3 LEU A 48 -13.670 2.006 2.046 1.00 0.04 H new ATOM 0 HG LEU A 48 -15.737 2.628 3.347 1.00 0.04 H new ATOM 0 HD11 LEU A 48 -14.486 3.648 5.211 1.00 0.04 H new ATOM 0 HD12 LEU A 48 -13.572 2.331 4.438 1.00 0.04 H new ATOM 0 HD13 LEU A 48 -13.150 4.026 4.097 1.00 0.04 H new ATOM 0 HD21 LEU A 48 -16.064 5.007 3.912 1.00 0.04 H new ATOM 0 HD22 LEU A 48 -14.803 5.453 2.738 1.00 0.04 H new ATOM 0 HD23 LEU A 48 -16.314 4.695 2.178 1.00 0.04 H new ATOM 762 N GLN A 49 -11.049 3.083 1.493 1.00 0.04 N ATOM 763 CA GLN A 49 -9.742 2.991 2.144 1.00 0.04 C ATOM 764 C GLN A 49 -8.566 3.094 1.180 1.00 0.04 C ATOM 765 O GLN A 49 -8.723 3.059 -0.040 1.00 0.04 O ATOM 766 CB GLN A 49 -9.633 1.677 2.910 1.00 0.04 C ATOM 767 CG GLN A 49 -10.571 1.583 4.097 1.00 0.04 C ATOM 768 CD GLN A 49 -10.435 0.274 4.850 1.00 0.04 C ATOM 769 OE1 GLN A 49 -11.145 -0.691 4.573 1.00 0.04 O ATOM 770 NE2 GLN A 49 -9.516 0.236 5.809 1.00 0.04 N ATOM 0 H GLN A 49 -11.181 2.445 0.708 1.00 0.04 H new ATOM 0 HA GLN A 49 -9.683 3.847 2.817 1.00 0.04 H new ATOM 0 HB2 GLN A 49 -9.840 0.852 2.229 1.00 0.04 H new ATOM 0 HB3 GLN A 49 -8.607 1.554 3.258 1.00 0.04 H new ATOM 0 HG2 GLN A 49 -10.373 2.411 4.778 1.00 0.04 H new ATOM 0 HG3 GLN A 49 -11.599 1.693 3.752 1.00 0.04 H new ATOM 0 HE21 GLN A 49 -8.949 1.061 6.005 1.00 0.04 H new ATOM 0 HE22 GLN A 49 -9.378 -0.618 6.349 1.00 0.04 H new ATOM 779 N PHE A 50 -7.380 3.217 1.776 1.00 0.03 N ATOM 780 CA PHE A 50 -6.122 3.303 1.042 1.00 0.03 C ATOM 781 C PHE A 50 -5.119 2.320 1.625 1.00 0.03 C ATOM 782 O PHE A 50 -4.799 2.393 2.806 1.00 0.03 O ATOM 783 CB PHE A 50 -5.524 4.705 1.139 1.00 0.03 C ATOM 784 CG PHE A 50 -6.005 5.663 0.096 1.00 0.03 C ATOM 785 CD1 PHE A 50 -5.631 5.518 -1.231 1.00 0.03 C ATOM 786 CD2 PHE A 50 -6.815 6.727 0.447 1.00 0.03 C ATOM 787 CE1 PHE A 50 -6.058 6.411 -2.180 1.00 0.03 C ATOM 788 CE2 PHE A 50 -7.243 7.627 -0.501 1.00 0.03 C ATOM 789 CZ PHE A 50 -6.862 7.465 -1.817 1.00 0.03 C ATOM 0 H PHE A 50 -7.267 3.260 2.789 1.00 0.03 H new ATOM 0 HA PHE A 50 -6.330 3.069 -0.002 1.00 0.03 H new ATOM 0 HB2 PHE A 50 -5.752 5.115 2.123 1.00 0.03 H new ATOM 0 HB3 PHE A 50 -4.439 4.628 1.070 1.00 0.03 H new ATOM 0 HD1 PHE A 50 -4.997 4.693 -1.520 1.00 0.03 H new ATOM 0 HD2 PHE A 50 -7.115 6.853 1.477 1.00 0.03 H new ATOM 0 HE1 PHE A 50 -5.763 6.286 -3.211 1.00 0.03 H new ATOM 0 HE2 PHE A 50 -7.874 8.456 -0.217 1.00 0.03 H new ATOM 0 HZ PHE A 50 -7.197 8.169 -2.565 1.00 0.03 H new ATOM 799 N PHE A 51 -4.621 1.408 0.808 1.00 0.08 N ATOM 800 CA PHE A 51 -3.650 0.431 1.279 1.00 0.08 C ATOM 801 C PHE A 51 -2.306 0.658 0.606 1.00 0.08 C ATOM 802 O PHE A 51 -2.215 0.631 -0.616 1.00 0.08 O ATOM 803 CB PHE A 51 -4.155 -0.974 0.989 1.00 0.08 C ATOM 804 CG PHE A 51 -3.191 -2.052 1.374 1.00 0.08 C ATOM 805 CD1 PHE A 51 -3.186 -2.578 2.653 1.00 0.08 C ATOM 806 CD2 PHE A 51 -2.290 -2.540 0.449 1.00 0.08 C ATOM 807 CE1 PHE A 51 -2.294 -3.573 2.998 1.00 0.08 C ATOM 808 CE2 PHE A 51 -1.401 -3.532 0.788 1.00 0.08 C ATOM 809 CZ PHE A 51 -1.400 -4.050 2.063 1.00 0.08 C ATOM 0 H PHE A 51 -4.869 1.322 -0.178 1.00 0.08 H new ATOM 0 HA PHE A 51 -3.521 0.547 2.355 1.00 0.08 H new ATOM 0 HB2 PHE A 51 -5.093 -1.130 1.522 1.00 0.08 H new ATOM 0 HB3 PHE A 51 -4.375 -1.059 -0.075 1.00 0.08 H new ATOM 0 HD1 PHE A 51 -3.886 -2.207 3.388 1.00 0.08 H new ATOM 0 HD2 PHE A 51 -2.284 -2.137 -0.553 1.00 0.08 H new ATOM 0 HE1 PHE A 51 -2.296 -3.978 3.999 1.00 0.08 H new ATOM 0 HE2 PHE A 51 -0.703 -3.905 0.053 1.00 0.08 H new ATOM 0 HZ PHE A 51 -0.701 -4.828 2.331 1.00 0.08 H new ATOM 819 N GLN A 52 -1.254 0.856 1.391 1.00 0.18 N ATOM 820 CA GLN A 52 0.051 1.107 0.808 1.00 0.18 C ATOM 821 C GLN A 52 1.080 0.096 1.267 1.00 0.18 C ATOM 822 O GLN A 52 1.164 -0.240 2.445 1.00 0.18 O ATOM 823 CB GLN A 52 0.542 2.508 1.150 1.00 0.18 C ATOM 824 CG GLN A 52 1.916 2.809 0.579 1.00 0.18 C ATOM 825 CD GLN A 52 1.886 3.443 -0.793 1.00 0.18 C ATOM 826 OE1 GLN A 52 1.928 2.751 -1.807 1.00 0.18 O ATOM 827 NE2 GLN A 52 1.819 4.768 -0.839 1.00 0.18 N ATOM 0 H GLN A 52 -1.279 0.848 2.411 1.00 0.18 H new ATOM 0 HA GLN A 52 -0.068 1.015 -0.272 1.00 0.18 H new ATOM 0 HB2 GLN A 52 -0.171 3.240 0.771 1.00 0.18 H new ATOM 0 HB3 GLN A 52 0.571 2.623 2.234 1.00 0.18 H new ATOM 0 HG2 GLN A 52 2.445 3.472 1.263 1.00 0.18 H new ATOM 0 HG3 GLN A 52 2.488 1.882 0.527 1.00 0.18 H new ATOM 0 HE21 GLN A 52 1.786 5.307 0.026 1.00 0.18 H new ATOM 0 HE22 GLN A 52 1.801 5.247 -1.739 1.00 0.18 H new ATOM 836 N VAL A 53 1.876 -0.355 0.316 1.00 0.05 N ATOM 837 CA VAL A 53 2.939 -1.303 0.588 1.00 0.05 C ATOM 838 C VAL A 53 4.257 -0.592 0.443 1.00 0.05 C ATOM 839 O VAL A 53 4.736 -0.383 -0.665 1.00 0.05 O ATOM 840 CB VAL A 53 2.927 -2.521 -0.354 1.00 0.05 C ATOM 841 CG1 VAL A 53 4.272 -3.246 -0.320 1.00 0.05 C ATOM 842 CG2 VAL A 53 1.808 -3.465 0.026 1.00 0.05 C ATOM 0 H VAL A 53 1.804 -0.076 -0.662 1.00 0.05 H new ATOM 0 HA VAL A 53 2.787 -1.681 1.599 1.00 0.05 H new ATOM 0 HB VAL A 53 2.757 -2.168 -1.371 1.00 0.05 H new ATOM 0 HG11 VAL A 53 4.241 -4.103 -0.993 1.00 0.05 H new ATOM 0 HG12 VAL A 53 5.061 -2.564 -0.637 1.00 0.05 H new ATOM 0 HG13 VAL A 53 4.475 -3.589 0.695 1.00 0.05 H new ATOM 0 HG21 VAL A 53 1.810 -4.322 -0.648 1.00 0.05 H new ATOM 0 HG22 VAL A 53 1.954 -3.808 1.050 1.00 0.05 H new ATOM 0 HG23 VAL A 53 0.852 -2.946 -0.050 1.00 0.05 H new ATOM 852 N LEU A 54 4.828 -0.203 1.556 1.00 0.17 N ATOM 853 CA LEU A 54 6.087 0.500 1.533 1.00 0.17 C ATOM 854 C LEU A 54 7.242 -0.431 1.838 1.00 0.17 C ATOM 855 O LEU A 54 7.226 -1.159 2.829 1.00 0.17 O ATOM 856 CB LEU A 54 6.061 1.644 2.536 1.00 0.17 C ATOM 857 CG LEU A 54 6.390 3.012 1.958 1.00 0.17 C ATOM 858 CD1 LEU A 54 5.267 3.492 1.053 1.00 0.17 C ATOM 859 CD2 LEU A 54 6.642 3.993 3.085 1.00 0.17 C ATOM 0 H LEU A 54 4.442 -0.361 2.487 1.00 0.17 H new ATOM 0 HA LEU A 54 6.233 0.901 0.530 1.00 0.17 H new ATOM 0 HB2 LEU A 54 5.071 1.687 2.991 1.00 0.17 H new ATOM 0 HB3 LEU A 54 6.769 1.424 3.335 1.00 0.17 H new ATOM 0 HG LEU A 54 7.294 2.939 1.353 1.00 0.17 H new ATOM 0 HD11 LEU A 54 5.519 4.472 0.648 1.00 0.17 H new ATOM 0 HD12 LEU A 54 5.132 2.785 0.234 1.00 0.17 H new ATOM 0 HD13 LEU A 54 4.343 3.563 1.627 1.00 0.17 H new ATOM 0 HD21 LEU A 54 6.878 4.973 2.669 1.00 0.17 H new ATOM 0 HD22 LEU A 54 5.751 4.068 3.708 1.00 0.17 H new ATOM 0 HD23 LEU A 54 7.479 3.645 3.690 1.00 0.17 H new ATOM 871 N GLU A 55 8.241 -0.402 0.976 1.00 0.07 N ATOM 872 CA GLU A 55 9.417 -1.232 1.159 1.00 0.07 C ATOM 873 C GLU A 55 10.685 -0.444 0.856 1.00 0.07 C ATOM 874 O GLU A 55 10.934 -0.040 -0.280 1.00 0.07 O ATOM 875 CB GLU A 55 9.332 -2.483 0.284 1.00 0.07 C ATOM 876 CG GLU A 55 8.709 -2.236 -1.078 1.00 0.07 C ATOM 877 CD GLU A 55 8.870 -3.417 -2.011 1.00 0.07 C ATOM 878 OE1 GLU A 55 8.036 -4.343 -1.943 1.00 0.07 O ATOM 879 OE2 GLU A 55 9.831 -3.416 -2.810 1.00 0.07 O ATOM 0 H GLU A 55 8.262 0.186 0.143 1.00 0.07 H new ATOM 0 HA GLU A 55 9.456 -1.547 2.202 1.00 0.07 H new ATOM 0 HB2 GLU A 55 10.335 -2.888 0.147 1.00 0.07 H new ATOM 0 HB3 GLU A 55 8.751 -3.242 0.807 1.00 0.07 H new ATOM 0 HG2 GLU A 55 7.649 -2.016 -0.955 1.00 0.07 H new ATOM 0 HG3 GLU A 55 9.167 -1.355 -1.529 1.00 0.07 H new ATOM 886 N GLY A 56 11.476 -0.238 1.899 1.00 0.40 N ATOM 887 CA GLY A 56 12.719 0.494 1.788 1.00 0.40 C ATOM 888 C GLY A 56 13.378 0.643 3.142 1.00 0.40 C ATOM 889 O GLY A 56 13.039 -0.081 4.077 1.00 0.40 O ATOM 0 H GLY A 56 11.271 -0.574 2.840 1.00 0.40 H new ATOM 0 HA2 GLY A 56 13.392 -0.025 1.106 1.00 0.40 H new ATOM 0 HA3 GLY A 56 12.529 1.479 1.361 1.00 0.40 H new ATOM 893 N THR A 57 14.312 1.576 3.263 1.00 0.06 N ATOM 894 CA THR A 57 14.989 1.789 4.533 1.00 0.06 C ATOM 895 C THR A 57 13.991 2.160 5.621 1.00 0.06 C ATOM 896 O THR A 57 13.179 3.070 5.456 1.00 0.06 O ATOM 897 CB THR A 57 16.070 2.875 4.432 1.00 0.06 C ATOM 898 OG1 THR A 57 15.666 3.888 3.504 1.00 0.06 O ATOM 899 CG2 THR A 57 17.389 2.260 3.995 1.00 0.06 C ATOM 0 H THR A 57 14.615 2.190 2.507 1.00 0.06 H new ATOM 0 HA THR A 57 15.476 0.850 4.795 1.00 0.06 H new ATOM 0 HB THR A 57 16.203 3.331 5.413 1.00 0.06 H new ATOM 0 HG1 THR A 57 15.651 4.758 3.955 1.00 0.06 H new ATOM 0 HG21 THR A 57 18.149 3.039 3.927 1.00 0.06 H new ATOM 0 HG22 THR A 57 17.701 1.512 4.724 1.00 0.06 H new ATOM 0 HG23 THR A 57 17.265 1.787 3.021 1.00 0.06 H new ATOM 907 N GLU A 58 14.067 1.434 6.731 1.00 0.03 N ATOM 908 CA GLU A 58 13.176 1.641 7.869 1.00 0.03 C ATOM 909 C GLU A 58 13.085 3.112 8.259 1.00 0.03 C ATOM 910 O GLU A 58 12.011 3.604 8.604 1.00 0.03 O ATOM 911 CB GLU A 58 13.661 0.825 9.065 1.00 0.03 C ATOM 912 CG GLU A 58 12.709 0.857 10.248 1.00 0.03 C ATOM 913 CD GLU A 58 13.306 0.230 11.492 1.00 0.03 C ATOM 914 OE1 GLU A 58 13.966 0.957 12.265 1.00 0.03 O ATOM 915 OE2 GLU A 58 13.116 -0.988 11.693 1.00 0.03 O ATOM 0 H GLU A 58 14.747 0.686 6.868 1.00 0.03 H new ATOM 0 HA GLU A 58 12.181 1.310 7.571 1.00 0.03 H new ATOM 0 HB2 GLU A 58 13.806 -0.209 8.754 1.00 0.03 H new ATOM 0 HB3 GLU A 58 14.634 1.202 9.381 1.00 0.03 H new ATOM 0 HG2 GLU A 58 12.435 1.890 10.462 1.00 0.03 H new ATOM 0 HG3 GLU A 58 11.791 0.332 9.985 1.00 0.03 H new ATOM 922 N GLU A 59 14.216 3.805 8.215 1.00 0.03 N ATOM 923 CA GLU A 59 14.256 5.218 8.571 1.00 0.03 C ATOM 924 C GLU A 59 13.341 6.043 7.679 1.00 0.03 C ATOM 925 O GLU A 59 12.762 7.040 8.109 1.00 0.03 O ATOM 926 CB GLU A 59 15.679 5.745 8.502 1.00 0.03 C ATOM 927 CG GLU A 59 16.356 5.554 7.158 1.00 0.03 C ATOM 928 CD GLU A 59 16.051 6.676 6.186 1.00 0.03 C ATOM 929 OE1 GLU A 59 16.181 7.854 6.581 1.00 0.03 O ATOM 930 OE2 GLU A 59 15.690 6.378 5.030 1.00 0.03 O ATOM 0 H GLU A 59 15.116 3.413 7.937 1.00 0.03 H new ATOM 0 HA GLU A 59 13.896 5.312 9.596 1.00 0.03 H new ATOM 0 HB2 GLU A 59 15.671 6.808 8.743 1.00 0.03 H new ATOM 0 HB3 GLU A 59 16.274 5.249 9.268 1.00 0.03 H new ATOM 0 HG2 GLU A 59 17.434 5.489 7.305 1.00 0.03 H new ATOM 0 HG3 GLU A 59 16.035 4.606 6.725 1.00 0.03 H new ATOM 937 N ALA A 60 13.221 5.614 6.437 1.00 0.10 N ATOM 938 CA ALA A 60 12.373 6.294 5.466 1.00 0.10 C ATOM 939 C ALA A 60 10.918 5.872 5.617 1.00 0.10 C ATOM 940 O ALA A 60 10.012 6.689 5.469 1.00 0.10 O ATOM 941 CB ALA A 60 12.853 6.013 4.050 1.00 0.10 C ATOM 0 H ALA A 60 13.702 4.792 6.071 1.00 0.10 H new ATOM 0 HA ALA A 60 12.440 7.365 5.657 1.00 0.10 H new ATOM 0 HB1 ALA A 60 12.208 6.529 3.338 1.00 0.10 H new ATOM 0 HB2 ALA A 60 13.877 6.369 3.936 1.00 0.10 H new ATOM 0 HB3 ALA A 60 12.818 4.940 3.860 1.00 0.10 H new ATOM 947 N LEU A 61 10.698 4.593 5.910 1.00 0.07 N ATOM 948 CA LEU A 61 9.345 4.070 6.071 1.00 0.07 C ATOM 949 C LEU A 61 8.607 4.776 7.201 1.00 0.07 C ATOM 950 O LEU A 61 7.426 5.093 7.077 1.00 0.07 O ATOM 951 CB LEU A 61 9.378 2.570 6.340 1.00 0.07 C ATOM 952 CG LEU A 61 10.253 1.754 5.389 1.00 0.07 C ATOM 953 CD1 LEU A 61 10.096 0.271 5.673 1.00 0.07 C ATOM 954 CD2 LEU A 61 9.907 2.051 3.937 1.00 0.07 C ATOM 0 H LEU A 61 11.437 3.902 6.040 1.00 0.07 H new ATOM 0 HA LEU A 61 8.810 4.257 5.140 1.00 0.07 H new ATOM 0 HB2 LEU A 61 9.729 2.408 7.359 1.00 0.07 H new ATOM 0 HB3 LEU A 61 8.359 2.186 6.289 1.00 0.07 H new ATOM 0 HG LEU A 61 11.292 2.039 5.555 1.00 0.07 H new ATOM 0 HD11 LEU A 61 10.724 -0.299 4.989 1.00 0.07 H new ATOM 0 HD12 LEU A 61 10.396 0.063 6.700 1.00 0.07 H new ATOM 0 HD13 LEU A 61 9.054 -0.018 5.534 1.00 0.07 H new ATOM 0 HD21 LEU A 61 10.545 1.457 3.282 1.00 0.07 H new ATOM 0 HD22 LEU A 61 8.863 1.799 3.753 1.00 0.07 H new ATOM 0 HD23 LEU A 61 10.066 3.110 3.734 1.00 0.07 H new ATOM 966 N GLU A 62 9.307 5.014 8.303 1.00 0.07 N ATOM 967 CA GLU A 62 8.714 5.674 9.456 1.00 0.07 C ATOM 968 C GLU A 62 8.304 7.102 9.116 1.00 0.07 C ATOM 969 O GLU A 62 7.136 7.469 9.236 1.00 0.07 O ATOM 970 CB GLU A 62 9.711 5.685 10.612 1.00 0.07 C ATOM 971 CG GLU A 62 9.074 5.946 11.967 1.00 0.07 C ATOM 972 CD GLU A 62 10.054 5.789 13.112 1.00 0.07 C ATOM 973 OE1 GLU A 62 10.389 4.635 13.453 1.00 0.07 O ATOM 974 OE2 GLU A 62 10.486 6.821 13.669 1.00 0.07 O ATOM 0 H GLU A 62 10.287 4.759 8.421 1.00 0.07 H new ATOM 0 HA GLU A 62 7.821 5.121 9.747 1.00 0.07 H new ATOM 0 HB2 GLU A 62 10.229 4.726 10.643 1.00 0.07 H new ATOM 0 HB3 GLU A 62 10.465 6.449 10.422 1.00 0.07 H new ATOM 0 HG2 GLU A 62 8.662 6.955 11.982 1.00 0.07 H new ATOM 0 HG3 GLU A 62 8.240 5.259 12.111 1.00 0.07 H new ATOM 981 N SER A 63 9.279 7.899 8.693 1.00 0.02 N ATOM 982 CA SER A 63 9.040 9.293 8.327 1.00 0.02 C ATOM 983 C SER A 63 7.941 9.410 7.280 1.00 0.02 C ATOM 984 O SER A 63 7.050 10.251 7.389 1.00 0.02 O ATOM 985 CB SER A 63 10.320 9.916 7.780 1.00 0.02 C ATOM 986 OG SER A 63 11.310 10.024 8.787 1.00 0.02 O ATOM 0 H SER A 63 10.250 7.602 8.594 1.00 0.02 H new ATOM 0 HA SER A 63 8.723 9.822 9.226 1.00 0.02 H new ATOM 0 HB2 SER A 63 10.699 9.310 6.957 1.00 0.02 H new ATOM 0 HB3 SER A 63 10.102 10.904 7.374 1.00 0.02 H new ATOM 0 HG SER A 63 12.120 10.425 8.408 1.00 0.02 H new ATOM 992 N LEU A 64 8.017 8.554 6.271 1.00 0.02 N ATOM 993 CA LEU A 64 7.050 8.545 5.185 1.00 0.02 C ATOM 994 C LEU A 64 5.669 8.301 5.752 1.00 0.02 C ATOM 995 O LEU A 64 4.785 9.147 5.674 1.00 0.02 O ATOM 996 CB LEU A 64 7.425 7.437 4.199 1.00 0.02 C ATOM 997 CG LEU A 64 6.795 7.511 2.809 1.00 0.02 C ATOM 998 CD1 LEU A 64 5.304 7.318 2.899 1.00 0.02 C ATOM 999 CD2 LEU A 64 7.107 8.828 2.133 1.00 0.02 C ATOM 0 H LEU A 64 8.749 7.849 6.183 1.00 0.02 H new ATOM 0 HA LEU A 64 7.053 9.503 4.665 1.00 0.02 H new ATOM 0 HB2 LEU A 64 8.509 7.439 4.082 1.00 0.02 H new ATOM 0 HB3 LEU A 64 7.154 6.480 4.644 1.00 0.02 H new ATOM 0 HG LEU A 64 7.223 6.710 2.206 1.00 0.02 H new ATOM 0 HD11 LEU A 64 4.869 7.373 1.901 1.00 0.02 H new ATOM 0 HD12 LEU A 64 5.089 6.342 3.335 1.00 0.02 H new ATOM 0 HD13 LEU A 64 4.873 8.099 3.526 1.00 0.02 H new ATOM 0 HD21 LEU A 64 6.645 8.849 1.146 1.00 0.02 H new ATOM 0 HD22 LEU A 64 6.715 9.648 2.735 1.00 0.02 H new ATOM 0 HD23 LEU A 64 8.187 8.937 2.030 1.00 0.02 H new ATOM 1011 N PHE A 65 5.504 7.119 6.305 1.00 0.07 N ATOM 1012 CA PHE A 65 4.260 6.711 6.926 1.00 0.07 C ATOM 1013 C PHE A 65 3.759 7.781 7.894 1.00 0.07 C ATOM 1014 O PHE A 65 2.554 7.926 8.103 1.00 0.07 O ATOM 1015 CB PHE A 65 4.514 5.389 7.642 1.00 0.07 C ATOM 1016 CG PHE A 65 3.452 4.962 8.610 1.00 0.07 C ATOM 1017 CD1 PHE A 65 2.115 4.960 8.251 1.00 0.07 C ATOM 1018 CD2 PHE A 65 3.803 4.550 9.884 1.00 0.07 C ATOM 1019 CE1 PHE A 65 1.147 4.553 9.149 1.00 0.07 C ATOM 1020 CE2 PHE A 65 2.841 4.141 10.783 1.00 0.07 C ATOM 1021 CZ PHE A 65 1.511 4.143 10.416 1.00 0.07 C ATOM 0 H PHE A 65 6.234 6.408 6.337 1.00 0.07 H new ATOM 0 HA PHE A 65 3.482 6.583 6.173 1.00 0.07 H new ATOM 0 HB2 PHE A 65 4.632 4.607 6.892 1.00 0.07 H new ATOM 0 HB3 PHE A 65 5.460 5.463 8.178 1.00 0.07 H new ATOM 0 HD1 PHE A 65 1.826 5.279 7.261 1.00 0.07 H new ATOM 0 HD2 PHE A 65 4.842 4.549 10.177 1.00 0.07 H new ATOM 0 HE1 PHE A 65 0.106 4.556 8.860 1.00 0.07 H new ATOM 0 HE2 PHE A 65 3.128 3.819 11.773 1.00 0.07 H new ATOM 0 HZ PHE A 65 0.756 3.824 11.119 1.00 0.07 H new ATOM 1031 N SER A 66 4.688 8.532 8.481 1.00 0.05 N ATOM 1032 CA SER A 66 4.324 9.596 9.406 1.00 0.05 C ATOM 1033 C SER A 66 3.788 10.791 8.632 1.00 0.05 C ATOM 1034 O SER A 66 2.941 11.536 9.125 1.00 0.05 O ATOM 1035 CB SER A 66 5.524 10.012 10.260 1.00 0.05 C ATOM 1036 OG SER A 66 5.960 8.944 11.083 1.00 0.05 O ATOM 0 H SER A 66 5.691 8.423 8.332 1.00 0.05 H new ATOM 0 HA SER A 66 3.547 9.224 10.074 1.00 0.05 H new ATOM 0 HB2 SER A 66 6.340 10.333 9.613 1.00 0.05 H new ATOM 0 HB3 SER A 66 5.254 10.866 10.881 1.00 0.05 H new ATOM 0 HG SER A 66 6.243 8.193 10.521 1.00 0.05 H new ATOM 1042 N GLU A 67 4.291 10.967 7.414 1.00 0.02 N ATOM 1043 CA GLU A 67 3.848 12.046 6.554 1.00 0.02 C ATOM 1044 C GLU A 67 2.438 11.749 6.080 1.00 0.02 C ATOM 1045 O GLU A 67 1.644 12.647 5.801 1.00 0.02 O ATOM 1046 CB GLU A 67 4.783 12.155 5.357 1.00 0.02 C ATOM 1047 CG GLU A 67 6.196 12.568 5.724 1.00 0.02 C ATOM 1048 CD GLU A 67 6.445 14.047 5.507 1.00 0.02 C ATOM 1049 OE1 GLU A 67 6.143 14.841 6.424 1.00 0.02 O ATOM 1050 OE2 GLU A 67 6.939 14.413 4.420 1.00 0.02 O ATOM 0 H GLU A 67 5.009 10.370 7.004 1.00 0.02 H new ATOM 0 HA GLU A 67 3.859 12.988 7.102 1.00 0.02 H new ATOM 0 HB2 GLU A 67 4.816 11.194 4.844 1.00 0.02 H new ATOM 0 HB3 GLU A 67 4.374 12.878 4.652 1.00 0.02 H new ATOM 0 HG2 GLU A 67 6.383 12.321 6.769 1.00 0.02 H new ATOM 0 HG3 GLU A 67 6.905 11.993 5.129 1.00 0.02 H new ATOM 1057 N ILE A 68 2.155 10.459 5.998 1.00 0.05 N ATOM 1058 CA ILE A 68 0.868 9.960 5.567 1.00 0.05 C ATOM 1059 C ILE A 68 -0.227 10.280 6.571 1.00 0.05 C ATOM 1060 O ILE A 68 -1.234 10.876 6.215 1.00 0.05 O ATOM 1061 CB ILE A 68 0.965 8.445 5.325 1.00 0.05 C ATOM 1062 CG1 ILE A 68 1.523 8.186 3.932 1.00 0.05 C ATOM 1063 CG2 ILE A 68 -0.381 7.749 5.492 1.00 0.05 C ATOM 1064 CD1 ILE A 68 2.620 9.133 3.526 1.00 0.05 C ATOM 0 H ILE A 68 2.823 9.724 6.232 1.00 0.05 H new ATOM 0 HA ILE A 68 0.598 10.459 4.636 1.00 0.05 H new ATOM 0 HB ILE A 68 1.637 8.029 6.076 1.00 0.05 H new ATOM 0 HG12 ILE A 68 1.903 7.165 3.888 1.00 0.05 H new ATOM 0 HG13 ILE A 68 0.711 8.255 3.208 1.00 0.05 H new ATOM 0 HG21 ILE A 68 -0.263 6.681 5.311 1.00 0.05 H new ATOM 0 HG22 ILE A 68 -0.749 7.907 6.506 1.00 0.05 H new ATOM 0 HG23 ILE A 68 -1.095 8.161 4.778 1.00 0.05 H new ATOM 0 HD11 ILE A 68 2.964 8.883 2.522 1.00 0.05 H new ATOM 0 HD12 ILE A 68 2.241 10.155 3.535 1.00 0.05 H new ATOM 0 HD13 ILE A 68 3.451 9.048 4.226 1.00 0.05 H new ATOM 1076 N GLN A 69 -0.030 9.901 7.828 1.00 0.04 N ATOM 1077 CA GLN A 69 -1.043 10.158 8.846 1.00 0.04 C ATOM 1078 C GLN A 69 -1.231 11.655 9.067 1.00 0.04 C ATOM 1079 O GLN A 69 -2.167 12.079 9.745 1.00 0.04 O ATOM 1080 CB GLN A 69 -0.695 9.455 10.157 1.00 0.04 C ATOM 1081 CG GLN A 69 -0.451 7.963 9.993 1.00 0.04 C ATOM 1082 CD GLN A 69 0.075 7.310 11.253 1.00 0.04 C ATOM 1083 OE1 GLN A 69 -0.683 7.000 12.173 1.00 0.04 O ATOM 1084 NE2 GLN A 69 1.377 7.066 11.284 1.00 0.04 N ATOM 0 H GLN A 69 0.806 9.423 8.164 1.00 0.04 H new ATOM 0 HA GLN A 69 -1.987 9.750 8.485 1.00 0.04 H new ATOM 0 HB2 GLN A 69 0.195 9.917 10.584 1.00 0.04 H new ATOM 0 HB3 GLN A 69 -1.506 9.607 10.869 1.00 0.04 H new ATOM 0 HG2 GLN A 69 -1.382 7.478 9.700 1.00 0.04 H new ATOM 0 HG3 GLN A 69 0.260 7.803 9.183 1.00 0.04 H new ATOM 0 HE21 GLN A 69 1.966 7.341 10.498 1.00 0.04 H new ATOM 0 HE22 GLN A 69 1.790 6.603 12.094 1.00 0.04 H new ATOM 1093 N SER A 70 -0.336 12.453 8.491 1.00 0.02 N ATOM 1094 CA SER A 70 -0.416 13.905 8.611 1.00 0.02 C ATOM 1095 C SER A 70 -1.218 14.491 7.452 1.00 0.02 C ATOM 1096 O SER A 70 -1.401 15.705 7.357 1.00 0.02 O ATOM 1097 CB SER A 70 0.985 14.518 8.640 1.00 0.02 C ATOM 1098 OG SER A 70 0.924 15.924 8.804 1.00 0.02 O ATOM 0 H SER A 70 0.452 12.119 7.937 1.00 0.02 H new ATOM 0 HA SER A 70 -0.922 14.144 9.546 1.00 0.02 H new ATOM 0 HB2 SER A 70 1.561 14.079 9.455 1.00 0.02 H new ATOM 0 HB3 SER A 70 1.509 14.279 7.714 1.00 0.02 H new ATOM 0 HG SER A 70 0.156 16.278 8.309 1.00 0.02 H new ATOM 1104 N ASP A 71 -1.693 13.612 6.572 1.00 0.08 N ATOM 1105 CA ASP A 71 -2.479 14.022 5.414 1.00 0.08 C ATOM 1106 C ASP A 71 -3.949 14.205 5.797 1.00 0.08 C ATOM 1107 O ASP A 71 -4.451 13.517 6.686 1.00 0.08 O ATOM 1108 CB ASP A 71 -2.349 12.983 4.299 1.00 0.08 C ATOM 1109 CG ASP A 71 -1.678 13.543 3.060 1.00 0.08 C ATOM 1110 OD1 ASP A 71 -2.362 14.228 2.272 1.00 0.08 O ATOM 1111 OD2 ASP A 71 -0.466 13.298 2.880 1.00 0.08 O ATOM 0 H ASP A 71 -1.545 12.605 6.641 1.00 0.08 H new ATOM 0 HA ASP A 71 -2.096 14.978 5.056 1.00 0.08 H new ATOM 0 HB2 ASP A 71 -1.776 12.131 4.665 1.00 0.08 H new ATOM 0 HB3 ASP A 71 -3.339 12.611 4.036 1.00 0.08 H new ATOM 1116 N PRO A 72 -4.659 15.138 5.132 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.061 15.420 5.417 1.00 0.00 C ATOM 1118 C PRO A 72 -7.041 14.638 4.541 1.00 0.00 C ATOM 1119 O PRO A 72 -8.239 14.613 4.822 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.149 16.911 5.110 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.163 17.139 4.005 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.153 16.012 4.060 1.00 0.00 C ATOM 0 HA PRO A 72 -6.336 15.134 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.157 17.192 4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.904 17.510 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.667 17.156 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.669 18.103 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.091 15.483 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.153 16.382 4.284 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.541 14.004 3.482 1.00 0.04 N ATOM 1131 CA ARG A 73 -7.404 13.237 2.587 1.00 0.04 C ATOM 1132 C ARG A 73 -8.026 12.052 3.318 1.00 0.04 C ATOM 1133 O ARG A 73 -9.191 12.098 3.711 1.00 0.04 O ATOM 1134 CB ARG A 73 -6.624 12.756 1.363 1.00 0.04 C ATOM 1135 CG ARG A 73 -7.450 11.904 0.413 1.00 0.04 C ATOM 1136 CD ARG A 73 -6.774 11.765 -0.938 1.00 0.04 C ATOM 1137 NE ARG A 73 -6.466 13.066 -1.524 1.00 0.04 N ATOM 1138 CZ ARG A 73 -5.570 13.255 -2.486 1.00 0.04 C ATOM 1139 NH1 ARG A 73 -4.890 12.231 -2.972 1.00 0.04 N ATOM 1140 NH2 ARG A 73 -5.353 14.473 -2.961 1.00 0.04 N ATOM 0 H ARG A 73 -5.554 14.006 3.225 1.00 0.04 H new ATOM 0 HA ARG A 73 -8.206 13.893 2.249 1.00 0.04 H new ATOM 0 HB2 ARG A 73 -6.242 13.622 0.822 1.00 0.04 H new ATOM 0 HB3 ARG A 73 -5.760 12.181 1.696 1.00 0.04 H new ATOM 0 HG2 ARG A 73 -7.603 10.916 0.848 1.00 0.04 H new ATOM 0 HG3 ARG A 73 -8.435 12.352 0.284 1.00 0.04 H new ATOM 0 HD2 ARG A 73 -5.855 11.189 -0.828 1.00 0.04 H new ATOM 0 HD3 ARG A 73 -7.422 11.206 -1.613 1.00 0.04 H new ATOM 0 HE ARG A 73 -6.970 13.880 -1.173 1.00 0.04 H new ATOM 0 HH11 ARG A 73 -5.053 11.292 -2.608 1.00 0.04 H new ATOM 0 HH12 ARG A 73 -4.203 12.380 -3.711 1.00 0.04 H new ATOM 0 HH21 ARG A 73 -5.874 15.266 -2.588 1.00 0.04 H new ATOM 0 HH22 ARG A 73 -4.665 14.617 -3.700 1.00 0.04 H new ATOM 1154 N HIS A 74 -7.247 10.989 3.492 1.00 0.04 N ATOM 1155 CA HIS A 74 -7.722 9.803 4.194 1.00 0.04 C ATOM 1156 C HIS A 74 -8.010 10.144 5.658 1.00 0.04 C ATOM 1157 O HIS A 74 -8.321 11.292 5.975 1.00 0.04 O ATOM 1158 CB HIS A 74 -6.686 8.689 4.093 1.00 0.04 C ATOM 1159 CG HIS A 74 -5.306 9.123 4.464 1.00 0.04 C ATOM 1160 ND1 HIS A 74 -4.186 8.760 3.749 1.00 0.04 N ATOM 1161 CD2 HIS A 74 -4.867 9.898 5.481 1.00 0.04 C ATOM 1162 CE1 HIS A 74 -3.118 9.292 4.313 1.00 0.04 C ATOM 1163 NE2 HIS A 74 -3.508 9.987 5.365 1.00 0.04 N ATOM 0 H HIS A 74 -6.286 10.925 3.157 1.00 0.04 H new ATOM 0 HA HIS A 74 -8.646 9.457 3.732 1.00 0.04 H new ATOM 0 HB2 HIS A 74 -6.986 7.865 4.741 1.00 0.04 H new ATOM 0 HB3 HIS A 74 -6.676 8.305 3.073 1.00 0.04 H new ATOM 0 HD2 HIS A 74 -5.477 10.361 6.243 1.00 0.04 H new ATOM 0 HE1 HIS A 74 -2.100 9.178 3.972 1.00 0.04 H new ATOM 0 HE2 HIS A 74 -2.894 10.507 5.991 1.00 0.04 H new ATOM 1172 N ARG A 75 -7.908 9.166 6.559 1.00 0.05 N ATOM 1173 CA ARG A 75 -8.181 9.443 7.967 1.00 0.05 C ATOM 1174 C ARG A 75 -7.635 8.379 8.922 1.00 0.05 C ATOM 1175 O ARG A 75 -6.833 8.682 9.806 1.00 0.05 O ATOM 1176 CB ARG A 75 -9.690 9.570 8.165 1.00 0.05 C ATOM 1177 CG ARG A 75 -10.475 8.537 7.376 1.00 0.05 C ATOM 1178 CD ARG A 75 -11.905 8.978 7.090 1.00 0.05 C ATOM 1179 NE ARG A 75 -12.376 10.005 8.018 1.00 0.05 N ATOM 1180 CZ ARG A 75 -13.646 10.391 8.108 1.00 0.05 C ATOM 1181 NH1 ARG A 75 -14.570 9.834 7.336 1.00 0.05 N ATOM 1182 NH2 ARG A 75 -13.992 11.335 8.973 1.00 0.05 N ATOM 0 H ARG A 75 -7.646 8.203 6.347 1.00 0.05 H new ATOM 0 HA ARG A 75 -7.666 10.372 8.211 1.00 0.05 H new ATOM 0 HB2 ARG A 75 -9.923 9.465 9.225 1.00 0.05 H new ATOM 0 HB3 ARG A 75 -10.009 10.568 7.866 1.00 0.05 H new ATOM 0 HG2 ARG A 75 -9.964 8.341 6.433 1.00 0.05 H new ATOM 0 HG3 ARG A 75 -10.492 7.599 7.930 1.00 0.05 H new ATOM 0 HD2 ARG A 75 -11.966 9.360 6.071 1.00 0.05 H new ATOM 0 HD3 ARG A 75 -12.566 8.113 7.146 1.00 0.05 H new ATOM 0 HE ARG A 75 -11.693 10.450 8.631 1.00 0.05 H new ATOM 0 HH11 ARG A 75 -14.308 9.107 6.670 1.00 0.05 H new ATOM 0 HH12 ARG A 75 -15.543 10.133 7.408 1.00 0.05 H new ATOM 0 HH21 ARG A 75 -13.285 11.765 9.569 1.00 0.05 H new ATOM 0 HH22 ARG A 75 -14.966 11.631 9.042 1.00 0.05 H new ATOM 1196 N ASP A 76 -8.070 7.140 8.739 1.00 0.02 N ATOM 1197 CA ASP A 76 -7.679 6.049 9.631 1.00 0.02 C ATOM 1198 C ASP A 76 -6.467 5.256 9.154 1.00 0.02 C ATOM 1199 O ASP A 76 -6.504 4.026 9.094 1.00 0.02 O ATOM 1200 CB ASP A 76 -8.862 5.116 9.811 1.00 0.02 C ATOM 1201 CG ASP A 76 -8.672 4.134 10.952 1.00 0.02 C ATOM 1202 OD1 ASP A 76 -8.856 4.538 12.119 1.00 0.02 O ATOM 1203 OD2 ASP A 76 -8.338 2.962 10.678 1.00 0.02 O ATOM 0 H ASP A 76 -8.694 6.862 7.982 1.00 0.02 H new ATOM 0 HA ASP A 76 -7.383 6.506 10.575 1.00 0.02 H new ATOM 0 HB2 ASP A 76 -9.760 5.707 9.993 1.00 0.02 H new ATOM 0 HB3 ASP A 76 -9.026 4.563 8.886 1.00 0.02 H new ATOM 1208 N VAL A 77 -5.396 5.953 8.822 1.00 0.02 N ATOM 1209 CA VAL A 77 -4.169 5.289 8.402 1.00 0.02 C ATOM 1210 C VAL A 77 -3.501 4.650 9.609 1.00 0.02 C ATOM 1211 O VAL A 77 -3.098 5.337 10.548 1.00 0.02 O ATOM 1212 CB VAL A 77 -3.197 6.264 7.710 1.00 0.02 C ATOM 1213 CG1 VAL A 77 -3.327 7.636 8.316 1.00 0.02 C ATOM 1214 CG2 VAL A 77 -1.763 5.769 7.764 1.00 0.02 C ATOM 0 H VAL A 77 -5.347 6.972 8.834 1.00 0.02 H new ATOM 0 HA VAL A 77 -4.431 4.521 7.674 1.00 0.02 H new ATOM 0 HB VAL A 77 -3.467 6.320 6.656 1.00 0.02 H new ATOM 0 HG11 VAL A 77 -2.637 8.319 7.821 1.00 0.02 H new ATOM 0 HG12 VAL A 77 -4.348 7.995 8.187 1.00 0.02 H new ATOM 0 HG13 VAL A 77 -3.091 7.588 9.379 1.00 0.02 H new ATOM 0 HG21 VAL A 77 -1.111 6.486 7.265 1.00 0.02 H new ATOM 0 HG22 VAL A 77 -1.454 5.661 8.804 1.00 0.02 H new ATOM 0 HG23 VAL A 77 -1.692 4.804 7.262 1.00 0.02 H new ATOM 1224 N VAL A 78 -3.392 3.334 9.574 1.00 0.16 N ATOM 1225 CA VAL A 78 -2.798 2.587 10.666 1.00 0.16 C ATOM 1226 C VAL A 78 -1.686 1.679 10.164 1.00 0.16 C ATOM 1227 O VAL A 78 -1.823 1.028 9.127 1.00 0.16 O ATOM 1228 CB VAL A 78 -3.867 1.745 11.384 1.00 0.16 C ATOM 1229 CG1 VAL A 78 -4.512 0.761 10.420 1.00 0.16 C ATOM 1230 CG2 VAL A 78 -3.272 1.024 12.584 1.00 0.16 C ATOM 0 H VAL A 78 -3.710 2.758 8.795 1.00 0.16 H new ATOM 0 HA VAL A 78 -2.373 3.304 11.368 1.00 0.16 H new ATOM 0 HB VAL A 78 -4.643 2.418 11.749 1.00 0.16 H new ATOM 0 HG11 VAL A 78 -5.265 0.175 10.947 1.00 0.16 H new ATOM 0 HG12 VAL A 78 -4.984 1.308 9.604 1.00 0.16 H new ATOM 0 HG13 VAL A 78 -3.750 0.094 10.017 1.00 0.16 H new ATOM 0 HG21 VAL A 78 -4.047 0.435 13.076 1.00 0.16 H new ATOM 0 HG22 VAL A 78 -2.471 0.364 12.251 1.00 0.16 H new ATOM 0 HG23 VAL A 78 -2.872 1.755 13.286 1.00 0.16 H new ATOM 1240 N GLU A 79 -0.582 1.643 10.899 1.00 0.02 N ATOM 1241 CA GLU A 79 0.545 0.810 10.519 1.00 0.02 C ATOM 1242 C GLU A 79 0.140 -0.653 10.505 1.00 0.02 C ATOM 1243 O GLU A 79 -0.090 -1.259 11.551 1.00 0.02 O ATOM 1244 CB GLU A 79 1.706 1.009 11.485 1.00 0.02 C ATOM 1245 CG GLU A 79 3.058 0.714 10.865 1.00 0.02 C ATOM 1246 CD GLU A 79 4.199 0.886 11.846 1.00 0.02 C ATOM 1247 OE1 GLU A 79 4.440 -0.045 12.643 1.00 0.02 O ATOM 1248 OE2 GLU A 79 4.851 1.951 11.820 1.00 0.02 O ATOM 0 H GLU A 79 -0.446 2.179 11.756 1.00 0.02 H new ATOM 0 HA GLU A 79 0.862 1.103 9.518 1.00 0.02 H new ATOM 0 HB2 GLU A 79 1.696 2.037 11.847 1.00 0.02 H new ATOM 0 HB3 GLU A 79 1.563 0.364 12.352 1.00 0.02 H new ATOM 0 HG2 GLU A 79 3.063 -0.307 10.483 1.00 0.02 H new ATOM 0 HG3 GLU A 79 3.214 1.375 10.012 1.00 0.02 H new ATOM 1255 N LEU A 80 0.058 -1.211 9.310 1.00 0.06 N ATOM 1256 CA LEU A 80 -0.314 -2.604 9.142 1.00 0.06 C ATOM 1257 C LEU A 80 0.873 -3.522 9.361 1.00 0.06 C ATOM 1258 O LEU A 80 0.746 -4.607 9.930 1.00 0.06 O ATOM 1259 CB LEU A 80 -0.877 -2.847 7.749 1.00 0.06 C ATOM 1260 CG LEU A 80 -2.155 -2.098 7.437 1.00 0.06 C ATOM 1261 CD1 LEU A 80 -2.717 -2.536 6.096 1.00 0.06 C ATOM 1262 CD2 LEU A 80 -3.155 -2.314 8.545 1.00 0.06 C ATOM 0 H LEU A 80 0.245 -0.717 8.437 1.00 0.06 H new ATOM 0 HA LEU A 80 -1.077 -2.826 9.889 1.00 0.06 H new ATOM 0 HB2 LEU A 80 -0.122 -2.568 7.014 1.00 0.06 H new ATOM 0 HB3 LEU A 80 -1.060 -3.915 7.629 1.00 0.06 H new ATOM 0 HG LEU A 80 -1.938 -1.032 7.371 1.00 0.06 H new ATOM 0 HD11 LEU A 80 -3.635 -1.987 5.889 1.00 0.06 H new ATOM 0 HD12 LEU A 80 -1.988 -2.332 5.312 1.00 0.06 H new ATOM 0 HD13 LEU A 80 -2.932 -3.604 6.123 1.00 0.06 H new ATOM 0 HD21 LEU A 80 -4.073 -1.773 8.317 1.00 0.06 H new ATOM 0 HD22 LEU A 80 -3.373 -3.378 8.636 1.00 0.06 H new ATOM 0 HD23 LEU A 80 -2.742 -1.947 9.485 1.00 0.06 H new ATOM 1274 N MET A 81 2.025 -3.071 8.900 1.00 0.18 N ATOM 1275 CA MET A 81 3.247 -3.855 9.003 1.00 0.18 C ATOM 1276 C MET A 81 4.506 -3.028 9.084 1.00 0.18 C ATOM 1277 O MET A 81 4.504 -1.807 8.930 1.00 0.18 O ATOM 1278 CB MET A 81 3.383 -4.785 7.830 1.00 0.18 C ATOM 1279 CG MET A 81 3.998 -6.102 8.230 1.00 0.18 C ATOM 1280 SD MET A 81 5.642 -6.381 7.546 1.00 0.18 S ATOM 1281 CE MET A 81 5.424 -5.849 5.855 1.00 0.18 C ATOM 0 H MET A 81 2.143 -2.164 8.449 1.00 0.18 H new ATOM 0 HA MET A 81 3.147 -4.404 9.939 1.00 0.18 H new ATOM 0 HB2 MET A 81 2.402 -4.961 7.389 1.00 0.18 H new ATOM 0 HB3 MET A 81 3.998 -4.315 7.062 1.00 0.18 H new ATOM 0 HG2 MET A 81 4.055 -6.149 9.317 1.00 0.18 H new ATOM 0 HG3 MET A 81 3.341 -6.910 7.910 1.00 0.18 H new ATOM 0 HE1 MET A 81 6.292 -6.144 5.266 1.00 0.18 H new ATOM 0 HE2 MET A 81 4.529 -6.313 5.440 1.00 0.18 H new ATOM 0 HE3 MET A 81 5.317 -4.765 5.826 1.00 0.18 H new ATOM 1291 N ARG A 82 5.583 -3.756 9.325 1.00 0.10 N ATOM 1292 CA ARG A 82 6.919 -3.208 9.423 1.00 0.10 C ATOM 1293 C ARG A 82 7.889 -4.324 9.771 1.00 0.10 C ATOM 1294 O ARG A 82 8.174 -4.586 10.940 1.00 0.10 O ATOM 1295 CB ARG A 82 7.006 -2.098 10.455 1.00 0.10 C ATOM 1296 CG ARG A 82 8.335 -1.378 10.423 1.00 0.10 C ATOM 1297 CD ARG A 82 8.201 0.078 10.843 1.00 0.10 C ATOM 1298 NE ARG A 82 7.285 0.247 11.967 1.00 0.10 N ATOM 1299 CZ ARG A 82 7.680 0.509 13.210 1.00 0.10 C ATOM 1300 NH1 ARG A 82 8.972 0.621 13.490 1.00 0.10 N ATOM 1301 NH2 ARG A 82 6.784 0.661 14.175 1.00 0.10 N ATOM 0 H ARG A 82 5.549 -4.766 9.460 1.00 0.10 H new ATOM 0 HA ARG A 82 7.179 -2.770 8.459 1.00 0.10 H new ATOM 0 HB2 ARG A 82 6.204 -1.381 10.280 1.00 0.10 H new ATOM 0 HB3 ARG A 82 6.848 -2.517 11.449 1.00 0.10 H new ATOM 0 HG2 ARG A 82 9.038 -1.884 11.085 1.00 0.10 H new ATOM 0 HG3 ARG A 82 8.751 -1.429 9.417 1.00 0.10 H new ATOM 0 HD2 ARG A 82 9.182 0.467 11.115 1.00 0.10 H new ATOM 0 HD3 ARG A 82 7.847 0.667 9.997 1.00 0.10 H new ATOM 0 HE ARG A 82 6.284 0.159 11.789 1.00 0.10 H new ATOM 0 HH11 ARG A 82 9.666 0.506 12.751 1.00 0.10 H new ATOM 0 HH12 ARG A 82 9.272 0.822 14.444 1.00 0.10 H new ATOM 0 HH21 ARG A 82 5.789 0.577 13.965 1.00 0.10 H new ATOM 0 HH22 ARG A 82 7.089 0.862 15.127 1.00 0.10 H new ATOM 1315 N ASP A 83 8.385 -4.973 8.736 1.00 0.13 N ATOM 1316 CA ASP A 83 9.300 -6.099 8.891 1.00 0.13 C ATOM 1317 C ASP A 83 10.623 -5.855 8.181 1.00 0.13 C ATOM 1318 O ASP A 83 10.675 -5.205 7.142 1.00 0.13 O ATOM 1319 CB ASP A 83 8.659 -7.364 8.325 1.00 0.13 C ATOM 1320 CG ASP A 83 9.425 -8.620 8.691 1.00 0.13 C ATOM 1321 OD1 ASP A 83 9.162 -9.181 9.775 1.00 0.13 O ATOM 1322 OD2 ASP A 83 10.288 -9.043 7.893 1.00 0.13 O ATOM 0 H ASP A 83 8.170 -4.740 7.766 1.00 0.13 H new ATOM 0 HA ASP A 83 9.500 -6.216 9.956 1.00 0.13 H new ATOM 0 HB2 ASP A 83 7.637 -7.446 8.695 1.00 0.13 H new ATOM 0 HB3 ASP A 83 8.600 -7.282 7.240 1.00 0.13 H new ATOM 1327 N TYR A 84 11.689 -6.399 8.748 1.00 0.10 N ATOM 1328 CA TYR A 84 13.015 -6.259 8.169 1.00 0.10 C ATOM 1329 C TYR A 84 13.101 -6.971 6.823 1.00 0.10 C ATOM 1330 O TYR A 84 12.418 -7.969 6.594 1.00 0.10 O ATOM 1331 CB TYR A 84 14.057 -6.818 9.129 1.00 0.10 C ATOM 1332 CG TYR A 84 14.300 -5.901 10.294 1.00 0.10 C ATOM 1333 CD1 TYR A 84 14.671 -4.588 10.076 1.00 0.10 C ATOM 1334 CD2 TYR A 84 14.143 -6.336 11.600 1.00 0.10 C ATOM 1335 CE1 TYR A 84 14.885 -3.727 11.122 1.00 0.10 C ATOM 1336 CE2 TYR A 84 14.357 -5.479 12.663 1.00 0.10 C ATOM 1337 CZ TYR A 84 14.730 -4.173 12.418 1.00 0.10 C ATOM 1338 OH TYR A 84 14.945 -3.312 13.470 1.00 0.10 O ATOM 0 H TYR A 84 11.661 -6.943 9.611 1.00 0.10 H new ATOM 0 HA TYR A 84 13.211 -5.200 8.003 1.00 0.10 H new ATOM 0 HB2 TYR A 84 13.727 -7.790 9.496 1.00 0.10 H new ATOM 0 HB3 TYR A 84 14.993 -6.980 8.594 1.00 0.10 H new ATOM 0 HD1 TYR A 84 14.795 -4.233 9.063 1.00 0.10 H new ATOM 0 HD2 TYR A 84 13.850 -7.358 11.790 1.00 0.10 H new ATOM 0 HE1 TYR A 84 15.174 -2.704 10.932 1.00 0.10 H new ATOM 0 HE2 TYR A 84 14.233 -5.829 13.677 1.00 0.10 H new ATOM 0 HH TYR A 84 14.792 -3.784 14.315 1.00 0.10 H new ATOM 1348 N SER A 85 13.944 -6.454 5.937 1.00 0.08 N ATOM 1349 CA SER A 85 14.116 -7.039 4.613 1.00 0.08 C ATOM 1350 C SER A 85 15.511 -6.772 4.072 1.00 0.08 C ATOM 1351 O SER A 85 16.269 -5.979 4.632 1.00 0.08 O ATOM 1352 CB SER A 85 13.063 -6.490 3.648 1.00 0.08 C ATOM 1353 OG SER A 85 11.758 -6.870 4.047 1.00 0.08 O ATOM 0 H SER A 85 14.519 -5.630 6.112 1.00 0.08 H new ATOM 0 HA SER A 85 13.987 -8.118 4.703 1.00 0.08 H new ATOM 0 HB2 SER A 85 13.133 -5.403 3.609 1.00 0.08 H new ATOM 0 HB3 SER A 85 13.261 -6.858 2.641 1.00 0.08 H new ATOM 0 HG SER A 85 11.107 -6.235 3.682 1.00 0.08 H new ATOM 1359 N ALA A 86 15.842 -7.447 2.979 1.00 0.05 N ATOM 1360 CA ALA A 86 17.149 -7.306 2.358 1.00 0.05 C ATOM 1361 C ALA A 86 17.043 -7.188 0.844 1.00 0.05 C ATOM 1362 O ALA A 86 18.053 -7.188 0.140 1.00 0.05 O ATOM 1363 CB ALA A 86 18.005 -8.498 2.723 1.00 0.05 C ATOM 0 H ALA A 86 15.219 -8.100 2.504 1.00 0.05 H new ATOM 0 HA ALA A 86 17.606 -6.388 2.728 1.00 0.05 H new ATOM 0 HB1 ALA A 86 18.986 -8.397 2.260 1.00 0.05 H new ATOM 0 HB2 ALA A 86 18.118 -8.546 3.806 1.00 0.05 H new ATOM 0 HB3 ALA A 86 17.528 -9.411 2.367 1.00 0.05 H new ATOM 1369 N TYR A 87 15.818 -7.091 0.349 1.00 0.05 N ATOM 1370 CA TYR A 87 15.583 -6.993 -1.084 1.00 0.05 C ATOM 1371 C TYR A 87 14.324 -6.187 -1.388 1.00 0.05 C ATOM 1372 O TYR A 87 13.498 -5.951 -0.507 1.00 0.05 O ATOM 1373 CB TYR A 87 15.471 -8.395 -1.690 1.00 0.05 C ATOM 1374 CG TYR A 87 14.649 -9.357 -0.858 1.00 0.05 C ATOM 1375 CD1 TYR A 87 15.138 -9.864 0.342 1.00 0.05 C ATOM 1376 CD2 TYR A 87 13.387 -9.764 -1.273 1.00 0.05 C ATOM 1377 CE1 TYR A 87 14.394 -10.745 1.102 1.00 0.05 C ATOM 1378 CE2 TYR A 87 12.636 -10.644 -0.517 1.00 0.05 C ATOM 1379 CZ TYR A 87 13.143 -11.132 0.669 1.00 0.05 C ATOM 1380 OH TYR A 87 12.398 -12.009 1.423 1.00 0.05 O ATOM 0 H TYR A 87 14.972 -7.078 0.918 1.00 0.05 H new ATOM 0 HA TYR A 87 16.429 -6.471 -1.531 1.00 0.05 H new ATOM 0 HB2 TYR A 87 15.027 -8.317 -2.683 1.00 0.05 H new ATOM 0 HB3 TYR A 87 16.472 -8.806 -1.820 1.00 0.05 H new ATOM 0 HD1 TYR A 87 16.117 -9.563 0.685 1.00 0.05 H new ATOM 0 HD2 TYR A 87 12.986 -9.386 -2.202 1.00 0.05 H new ATOM 0 HE1 TYR A 87 14.790 -11.129 2.031 1.00 0.05 H new ATOM 0 HE2 TYR A 87 11.656 -10.948 -0.854 1.00 0.05 H new ATOM 0 HH TYR A 87 11.541 -12.177 0.978 1.00 0.05 H new ATOM 1390 N ARG A 88 14.192 -5.767 -2.643 1.00 0.06 N ATOM 1391 CA ARG A 88 13.039 -4.986 -3.081 1.00 0.06 C ATOM 1392 C ARG A 88 12.141 -5.806 -4.005 1.00 0.06 C ATOM 1393 O ARG A 88 12.595 -6.325 -5.025 1.00 0.06 O ATOM 1394 CB ARG A 88 13.510 -3.723 -3.809 1.00 0.06 C ATOM 1395 CG ARG A 88 13.627 -2.503 -2.915 1.00 0.06 C ATOM 1396 CD ARG A 88 13.902 -1.245 -3.723 1.00 0.06 C ATOM 1397 NE ARG A 88 15.250 -1.233 -4.285 1.00 0.06 N ATOM 1398 CZ ARG A 88 15.676 -0.326 -5.159 1.00 0.06 C ATOM 1399 NH1 ARG A 88 14.860 0.633 -5.576 1.00 0.06 N ATOM 1400 NH2 ARG A 88 16.919 -0.376 -5.616 1.00 0.06 N ATOM 0 H ARG A 88 14.873 -5.956 -3.378 1.00 0.06 H new ATOM 0 HA ARG A 88 12.463 -4.706 -2.199 1.00 0.06 H new ATOM 0 HB2 ARG A 88 14.480 -3.920 -4.266 1.00 0.06 H new ATOM 0 HB3 ARG A 88 12.815 -3.502 -4.619 1.00 0.06 H new ATOM 0 HG2 ARG A 88 12.706 -2.377 -2.346 1.00 0.06 H new ATOM 0 HG3 ARG A 88 14.429 -2.655 -2.193 1.00 0.06 H new ATOM 0 HD2 ARG A 88 13.173 -1.167 -4.530 1.00 0.06 H new ATOM 0 HD3 ARG A 88 13.768 -0.370 -3.087 1.00 0.06 H new ATOM 0 HE ARG A 88 15.901 -1.961 -3.991 1.00 0.06 H new ATOM 0 HH11 ARG A 88 13.903 0.676 -5.226 1.00 0.06 H new ATOM 0 HH12 ARG A 88 15.190 1.327 -6.246 1.00 0.06 H new ATOM 0 HH21 ARG A 88 17.550 -1.111 -5.297 1.00 0.06 H new ATOM 0 HH22 ARG A 88 17.244 0.320 -6.286 1.00 0.06 H new ATOM 1414 N ARG A 89 10.863 -5.919 -3.643 1.00 0.02 N ATOM 1415 CA ARG A 89 9.904 -6.671 -4.449 1.00 0.02 C ATOM 1416 C ARG A 89 9.553 -5.908 -5.722 1.00 0.02 C ATOM 1417 O ARG A 89 9.485 -6.489 -6.805 1.00 0.02 O ATOM 1418 CB ARG A 89 8.631 -6.967 -3.651 1.00 0.02 C ATOM 1419 CG ARG A 89 8.678 -8.284 -2.890 1.00 0.02 C ATOM 1420 CD ARG A 89 8.972 -8.073 -1.414 1.00 0.02 C ATOM 1421 NE ARG A 89 10.002 -7.061 -1.198 1.00 0.02 N ATOM 1422 CZ ARG A 89 9.899 -6.089 -0.296 1.00 0.02 C ATOM 1423 NH1 ARG A 89 8.824 -6.008 0.477 1.00 0.02 N ATOM 1424 NH2 ARG A 89 10.870 -5.197 -0.168 1.00 0.02 N ATOM 0 H ARG A 89 10.470 -5.501 -2.800 1.00 0.02 H new ATOM 0 HA ARG A 89 10.371 -7.617 -4.723 1.00 0.02 H new ATOM 0 HB2 ARG A 89 8.459 -6.155 -2.944 1.00 0.02 H new ATOM 0 HB3 ARG A 89 7.781 -6.982 -4.333 1.00 0.02 H new ATOM 0 HG2 ARG A 89 7.725 -8.802 -3.000 1.00 0.02 H new ATOM 0 HG3 ARG A 89 9.443 -8.928 -3.325 1.00 0.02 H new ATOM 0 HD2 ARG A 89 8.057 -7.774 -0.902 1.00 0.02 H new ATOM 0 HD3 ARG A 89 9.292 -9.016 -0.970 1.00 0.02 H new ATOM 0 HE ARG A 89 10.846 -7.102 -1.770 1.00 0.02 H new ATOM 0 HH11 ARG A 89 8.074 -6.692 0.380 1.00 0.02 H new ATOM 0 HH12 ARG A 89 8.748 -5.262 1.168 1.00 0.02 H new ATOM 0 HH21 ARG A 89 11.698 -5.255 -0.761 1.00 0.02 H new ATOM 0 HH22 ARG A 89 10.790 -4.452 0.524 1.00 0.02 H new ATOM 1438 N PHE A 90 9.325 -4.604 -5.584 1.00 0.18 N ATOM 1439 CA PHE A 90 8.988 -3.763 -6.728 1.00 0.18 C ATOM 1440 C PHE A 90 10.228 -3.045 -7.249 1.00 0.18 C ATOM 1441 O PHE A 90 10.602 -1.987 -6.745 1.00 0.18 O ATOM 1442 CB PHE A 90 7.916 -2.741 -6.348 1.00 0.18 C ATOM 1443 CG PHE A 90 6.646 -3.364 -5.847 1.00 0.18 C ATOM 1444 CD1 PHE A 90 5.630 -3.703 -6.725 1.00 0.18 C ATOM 1445 CD2 PHE A 90 6.470 -3.610 -4.498 1.00 0.18 C ATOM 1446 CE1 PHE A 90 4.461 -4.277 -6.264 1.00 0.18 C ATOM 1447 CE2 PHE A 90 5.304 -4.183 -4.028 1.00 0.18 C ATOM 1448 CZ PHE A 90 4.297 -4.518 -4.913 1.00 0.18 C ATOM 0 H PHE A 90 9.367 -4.109 -4.693 1.00 0.18 H new ATOM 0 HA PHE A 90 8.596 -4.406 -7.516 1.00 0.18 H new ATOM 0 HB2 PHE A 90 8.314 -2.078 -5.580 1.00 0.18 H new ATOM 0 HB3 PHE A 90 7.690 -2.123 -7.217 1.00 0.18 H new ATOM 0 HD1 PHE A 90 5.753 -3.517 -7.782 1.00 0.18 H new ATOM 0 HD2 PHE A 90 7.254 -3.351 -3.802 1.00 0.18 H new ATOM 0 HE1 PHE A 90 3.676 -4.537 -6.959 1.00 0.18 H new ATOM 0 HE2 PHE A 90 5.180 -4.369 -2.971 1.00 0.18 H new ATOM 0 HZ PHE A 90 3.384 -4.967 -4.550 1.00 0.18 H new ATOM 1458 N HIS A 91 10.862 -3.628 -8.260 1.00 0.16 N ATOM 1459 CA HIS A 91 12.065 -3.047 -8.845 1.00 0.16 C ATOM 1460 C HIS A 91 11.724 -2.164 -10.042 1.00 0.16 C ATOM 1461 O HIS A 91 11.551 -2.656 -11.157 1.00 0.16 O ATOM 1462 CB HIS A 91 13.030 -4.155 -9.271 1.00 0.16 C ATOM 1463 CG HIS A 91 14.298 -3.645 -9.886 1.00 0.16 C ATOM 1464 ND1 HIS A 91 14.540 -3.673 -11.244 1.00 0.16 N ATOM 1465 CD2 HIS A 91 15.398 -3.094 -9.321 1.00 0.16 C ATOM 1466 CE1 HIS A 91 15.734 -3.162 -11.487 1.00 0.16 C ATOM 1467 NE2 HIS A 91 16.275 -2.802 -10.337 1.00 0.16 N ATOM 0 H HIS A 91 10.563 -4.502 -8.692 1.00 0.16 H new ATOM 0 HA HIS A 91 12.543 -2.425 -8.088 1.00 0.16 H new ATOM 0 HB2 HIS A 91 13.277 -4.764 -8.401 1.00 0.16 H new ATOM 0 HB3 HIS A 91 12.527 -4.808 -9.984 1.00 0.16 H new ATOM 0 HD2 HIS A 91 15.556 -2.917 -8.267 1.00 0.16 H new ATOM 0 HE1 HIS A 91 16.190 -3.057 -12.460 1.00 0.16 H new ATOM 0 HE2 HIS A 91 17.195 -2.376 -10.222 1.00 0.16 H new ATOM 1476 N GLY A 92 11.627 -0.859 -9.803 1.00 0.25 N ATOM 1477 CA GLY A 92 11.319 0.067 -10.877 1.00 0.25 C ATOM 1478 C GLY A 92 10.079 0.898 -10.608 1.00 0.25 C ATOM 1479 O GLY A 92 9.949 2.008 -11.124 1.00 0.25 O ATOM 0 H GLY A 92 11.756 -0.428 -8.888 1.00 0.25 H new ATOM 0 HA2 GLY A 92 12.169 0.732 -11.030 1.00 0.25 H new ATOM 0 HA3 GLY A 92 11.181 -0.492 -11.802 1.00 0.25 H new ATOM 1483 N THR A 93 9.166 0.367 -9.801 1.00 0.10 N ATOM 1484 CA THR A 93 7.933 1.076 -9.480 1.00 0.10 C ATOM 1485 C THR A 93 7.985 1.667 -8.075 1.00 0.10 C ATOM 1486 O THR A 93 7.749 0.970 -7.088 1.00 0.10 O ATOM 1487 CB THR A 93 6.707 0.150 -9.590 1.00 0.10 C ATOM 1488 OG1 THR A 93 6.826 -0.682 -10.750 1.00 0.10 O ATOM 1489 CG2 THR A 93 5.424 0.963 -9.678 1.00 0.10 C ATOM 0 H THR A 93 9.256 -0.548 -9.359 1.00 0.10 H new ATOM 0 HA THR A 93 7.836 1.883 -10.206 1.00 0.10 H new ATOM 0 HB THR A 93 6.667 -0.473 -8.696 1.00 0.10 H new ATOM 0 HG1 THR A 93 6.044 -1.269 -10.813 1.00 0.10 H new ATOM 0 HG21 THR A 93 4.571 0.289 -9.755 1.00 0.10 H new ATOM 0 HG22 THR A 93 5.321 1.578 -8.784 1.00 0.10 H new ATOM 0 HG23 THR A 93 5.460 1.605 -10.558 1.00 0.10 H new ATOM 1497 N GLY A 94 8.295 2.959 -7.996 1.00 0.18 N ATOM 1498 CA GLY A 94 8.372 3.630 -6.710 1.00 0.18 C ATOM 1499 C GLY A 94 7.037 3.656 -5.989 1.00 0.18 C ATOM 1500 O GLY A 94 6.935 3.209 -4.849 1.00 0.18 O ATOM 0 H GLY A 94 8.494 3.553 -8.801 1.00 0.18 H new ATOM 0 HA2 GLY A 94 9.110 3.127 -6.085 1.00 0.18 H new ATOM 0 HA3 GLY A 94 8.722 4.652 -6.857 1.00 0.18 H new ATOM 1504 N MET A 95 6.016 4.178 -6.665 1.00 0.09 N ATOM 1505 CA MET A 95 4.668 4.276 -6.101 1.00 0.09 C ATOM 1506 C MET A 95 3.629 4.020 -7.191 1.00 0.09 C ATOM 1507 O MET A 95 3.736 4.569 -8.289 1.00 0.09 O ATOM 1508 CB MET A 95 4.449 5.672 -5.524 1.00 0.09 C ATOM 1509 CG MET A 95 3.609 5.688 -4.261 1.00 0.09 C ATOM 1510 SD MET A 95 4.620 5.753 -2.779 1.00 0.09 S ATOM 1511 CE MET A 95 5.165 4.053 -2.674 1.00 0.09 C ATOM 0 H MET A 95 6.097 4.544 -7.614 1.00 0.09 H new ATOM 0 HA MET A 95 4.562 3.531 -5.312 1.00 0.09 H new ATOM 0 HB2 MET A 95 5.418 6.123 -5.310 1.00 0.09 H new ATOM 0 HB3 MET A 95 3.967 6.295 -6.278 1.00 0.09 H new ATOM 0 HG2 MET A 95 2.941 6.549 -4.281 1.00 0.09 H new ATOM 0 HG3 MET A 95 2.981 4.797 -4.232 1.00 0.09 H new ATOM 0 HE1 MET A 95 5.255 3.764 -1.627 1.00 0.09 H new ATOM 0 HE2 MET A 95 4.439 3.407 -3.168 1.00 0.09 H new ATOM 0 HE3 MET A 95 6.134 3.951 -3.163 1.00 0.09 H new ATOM 1521 N ARG A 96 2.625 3.195 -6.902 1.00 0.21 N ATOM 1522 CA ARG A 96 1.593 2.903 -7.891 1.00 0.21 C ATOM 1523 C ARG A 96 0.282 2.502 -7.226 1.00 0.21 C ATOM 1524 O ARG A 96 0.142 1.381 -6.753 1.00 0.21 O ATOM 1525 CB ARG A 96 2.069 1.787 -8.815 1.00 0.21 C ATOM 1526 CG ARG A 96 1.643 1.966 -10.261 1.00 0.21 C ATOM 1527 CD ARG A 96 0.190 1.568 -10.470 1.00 0.21 C ATOM 1528 NE ARG A 96 -0.227 1.740 -11.859 1.00 0.21 N ATOM 1529 CZ ARG A 96 -1.220 1.058 -12.421 1.00 0.21 C ATOM 1530 NH1 ARG A 96 -1.897 0.164 -11.714 1.00 0.21 N ATOM 1531 NH2 ARG A 96 -1.537 1.269 -13.691 1.00 0.21 N ATOM 0 H ARG A 96 2.505 2.724 -6.005 1.00 0.21 H new ATOM 0 HA ARG A 96 1.412 3.808 -8.470 1.00 0.21 H new ATOM 0 HB2 ARG A 96 3.157 1.730 -8.771 1.00 0.21 H new ATOM 0 HB3 ARG A 96 1.685 0.835 -8.448 1.00 0.21 H new ATOM 0 HG2 ARG A 96 1.782 3.006 -10.556 1.00 0.21 H new ATOM 0 HG3 ARG A 96 2.282 1.364 -10.906 1.00 0.21 H new ATOM 0 HD2 ARG A 96 0.053 0.527 -10.176 1.00 0.21 H new ATOM 0 HD3 ARG A 96 -0.448 2.169 -9.822 1.00 0.21 H new ATOM 0 HE ARG A 96 0.272 2.422 -12.430 1.00 0.21 H new ATOM 0 HH11 ARG A 96 -1.656 -0.002 -10.737 1.00 0.21 H new ATOM 0 HH12 ARG A 96 -2.659 -0.358 -12.147 1.00 0.21 H new ATOM 0 HH21 ARG A 96 -1.019 1.956 -14.239 1.00 0.21 H new ATOM 0 HH22 ARG A 96 -2.299 0.745 -14.120 1.00 0.21 H new ATOM 1545 N ILE A 97 -0.684 3.414 -7.217 1.00 0.10 N ATOM 1546 CA ILE A 97 -1.981 3.151 -6.625 1.00 0.10 C ATOM 1547 C ILE A 97 -2.752 2.109 -7.431 1.00 0.10 C ATOM 1548 O ILE A 97 -2.441 1.853 -8.594 1.00 0.10 O ATOM 1549 CB ILE A 97 -2.792 4.456 -6.530 1.00 0.10 C ATOM 1550 CG1 ILE A 97 -3.874 4.351 -5.452 1.00 0.10 C ATOM 1551 CG2 ILE A 97 -3.389 4.815 -7.879 1.00 0.10 C ATOM 1552 CD1 ILE A 97 -5.241 3.940 -5.958 1.00 0.10 C ATOM 0 H ILE A 97 -0.587 4.347 -7.617 1.00 0.10 H new ATOM 0 HA ILE A 97 -1.824 2.754 -5.622 1.00 0.10 H new ATOM 0 HB ILE A 97 -2.115 5.259 -6.239 1.00 0.10 H new ATOM 0 HG12 ILE A 97 -3.549 3.631 -4.701 1.00 0.10 H new ATOM 0 HG13 ILE A 97 -3.963 5.315 -4.952 1.00 0.10 H new ATOM 0 HG21 ILE A 97 -3.958 5.740 -7.790 1.00 0.10 H new ATOM 0 HG22 ILE A 97 -2.589 4.950 -8.607 1.00 0.10 H new ATOM 0 HG23 ILE A 97 -4.049 4.013 -8.210 1.00 0.10 H new ATOM 0 HD11 ILE A 97 -5.939 3.893 -5.122 1.00 0.10 H new ATOM 0 HD12 ILE A 97 -5.594 4.671 -6.686 1.00 0.10 H new ATOM 0 HD13 ILE A 97 -5.175 2.960 -6.431 1.00 0.10 H new ATOM 1564 N LEU A 98 -3.754 1.513 -6.801 1.00 0.02 N ATOM 1565 CA LEU A 98 -4.575 0.508 -7.445 1.00 0.02 C ATOM 1566 C LEU A 98 -6.052 0.746 -7.178 1.00 0.02 C ATOM 1567 O LEU A 98 -6.585 0.304 -6.162 1.00 0.02 O ATOM 1568 CB LEU A 98 -4.204 -0.900 -6.972 1.00 0.02 C ATOM 1569 CG LEU A 98 -4.549 -1.984 -7.980 1.00 0.02 C ATOM 1570 CD1 LEU A 98 -3.707 -1.792 -9.224 1.00 0.02 C ATOM 1571 CD2 LEU A 98 -4.363 -3.374 -7.394 1.00 0.02 C ATOM 0 H LEU A 98 -4.016 1.713 -5.836 1.00 0.02 H new ATOM 0 HA LEU A 98 -4.387 0.588 -8.516 1.00 0.02 H new ATOM 0 HB2 LEU A 98 -3.135 -0.935 -6.763 1.00 0.02 H new ATOM 0 HB3 LEU A 98 -4.719 -1.108 -6.034 1.00 0.02 H new ATOM 0 HG LEU A 98 -5.603 -1.897 -8.245 1.00 0.02 H new ATOM 0 HD11 LEU A 98 -3.950 -2.567 -9.951 1.00 0.02 H new ATOM 0 HD12 LEU A 98 -3.913 -0.812 -9.655 1.00 0.02 H new ATOM 0 HD13 LEU A 98 -2.651 -1.858 -8.962 1.00 0.02 H new ATOM 0 HD21 LEU A 98 -4.619 -4.122 -8.144 1.00 0.02 H new ATOM 0 HD22 LEU A 98 -3.324 -3.505 -7.091 1.00 0.02 H new ATOM 0 HD23 LEU A 98 -5.012 -3.493 -6.526 1.00 0.02 H new ATOM 1583 N ASP A 99 -6.706 1.464 -8.081 1.00 0.13 N ATOM 1584 CA ASP A 99 -8.132 1.718 -7.950 1.00 0.13 C ATOM 1585 C ASP A 99 -8.880 0.402 -8.039 1.00 0.13 C ATOM 1586 O ASP A 99 -9.309 -0.003 -9.118 1.00 0.13 O ATOM 1587 CB ASP A 99 -8.626 2.651 -9.053 1.00 0.13 C ATOM 1588 CG ASP A 99 -9.945 3.313 -8.705 1.00 0.13 C ATOM 1589 OD1 ASP A 99 -10.130 3.689 -7.529 1.00 0.13 O ATOM 1590 OD2 ASP A 99 -10.796 3.451 -9.608 1.00 0.13 O ATOM 0 H ASP A 99 -6.274 1.878 -8.907 1.00 0.13 H new ATOM 0 HA ASP A 99 -8.313 2.195 -6.987 1.00 0.13 H new ATOM 0 HB2 ASP A 99 -7.875 3.419 -9.238 1.00 0.13 H new ATOM 0 HB3 ASP A 99 -8.739 2.086 -9.978 1.00 0.13 H new ATOM 1595 N LEU A 100 -9.016 -0.273 -6.908 1.00 0.05 N ATOM 1596 CA LEU A 100 -9.699 -1.553 -6.876 1.00 0.05 C ATOM 1597 C LEU A 100 -11.123 -1.418 -7.389 1.00 0.05 C ATOM 1598 O LEU A 100 -11.740 -2.401 -7.799 1.00 0.05 O ATOM 1599 CB LEU A 100 -9.695 -2.136 -5.459 1.00 0.05 C ATOM 1600 CG LEU A 100 -8.317 -2.237 -4.795 1.00 0.05 C ATOM 1601 CD1 LEU A 100 -8.357 -3.204 -3.614 1.00 0.05 C ATOM 1602 CD2 LEU A 100 -7.270 -2.671 -5.813 1.00 0.05 C ATOM 0 H LEU A 100 -8.664 0.044 -6.005 1.00 0.05 H new ATOM 0 HA LEU A 100 -9.161 -2.238 -7.532 1.00 0.05 H new ATOM 0 HB2 LEU A 100 -10.339 -1.522 -4.830 1.00 0.05 H new ATOM 0 HB3 LEU A 100 -10.138 -3.132 -5.492 1.00 0.05 H new ATOM 0 HG LEU A 100 -8.042 -1.253 -4.416 1.00 0.05 H new ATOM 0 HD11 LEU A 100 -7.369 -3.261 -3.157 1.00 0.05 H new ATOM 0 HD12 LEU A 100 -9.078 -2.849 -2.877 1.00 0.05 H new ATOM 0 HD13 LEU A 100 -8.653 -4.193 -3.964 1.00 0.05 H new ATOM 0 HD21 LEU A 100 -6.296 -2.738 -5.327 1.00 0.05 H new ATOM 0 HD22 LEU A 100 -7.541 -3.645 -6.220 1.00 0.05 H new ATOM 0 HD23 LEU A 100 -7.223 -1.940 -6.620 1.00 0.05 H new ATOM 1614 N ARG A 101 -11.643 -0.195 -7.360 1.00 0.06 N ATOM 1615 CA ARG A 101 -12.986 0.067 -7.852 1.00 0.06 C ATOM 1616 C ARG A 101 -13.079 -0.360 -9.309 1.00 0.06 C ATOM 1617 O ARG A 101 -14.168 -0.535 -9.856 1.00 0.06 O ATOM 1618 CB ARG A 101 -13.324 1.551 -7.719 1.00 0.06 C ATOM 1619 CG ARG A 101 -13.338 2.045 -6.283 1.00 0.06 C ATOM 1620 CD ARG A 101 -13.890 3.456 -6.191 1.00 0.06 C ATOM 1621 NE ARG A 101 -15.272 3.530 -6.657 1.00 0.06 N ATOM 1622 CZ ARG A 101 -15.959 4.663 -6.755 1.00 0.06 C ATOM 1623 NH1 ARG A 101 -15.395 5.817 -6.426 1.00 0.06 N ATOM 1624 NH2 ARG A 101 -17.214 4.642 -7.185 1.00 0.06 N ATOM 0 H ARG A 101 -11.155 0.626 -7.002 1.00 0.06 H new ATOM 0 HA ARG A 101 -13.701 -0.502 -7.258 1.00 0.06 H new ATOM 0 HB2 ARG A 101 -12.598 2.133 -8.287 1.00 0.06 H new ATOM 0 HB3 ARG A 101 -14.301 1.734 -8.167 1.00 0.06 H new ATOM 0 HG2 ARG A 101 -13.942 1.375 -5.672 1.00 0.06 H new ATOM 0 HG3 ARG A 101 -12.326 2.021 -5.878 1.00 0.06 H new ATOM 0 HD2 ARG A 101 -13.836 3.801 -5.158 1.00 0.06 H new ATOM 0 HD3 ARG A 101 -13.270 4.128 -6.784 1.00 0.06 H new ATOM 0 HE ARG A 101 -15.737 2.662 -6.923 1.00 0.06 H new ATOM 0 HH11 ARG A 101 -14.430 5.837 -6.096 1.00 0.06 H new ATOM 0 HH12 ARG A 101 -15.926 6.684 -6.503 1.00 0.06 H new ATOM 0 HH21 ARG A 101 -17.651 3.756 -7.440 1.00 0.06 H new ATOM 0 HH22 ARG A 101 -17.742 5.512 -7.260 1.00 0.06 H new ATOM 1638 N LEU A 102 -11.913 -0.524 -9.926 1.00 0.05 N ATOM 1639 CA LEU A 102 -11.821 -0.935 -11.315 1.00 0.05 C ATOM 1640 C LEU A 102 -11.718 -2.452 -11.429 1.00 0.05 C ATOM 1641 O LEU A 102 -12.383 -3.066 -12.264 1.00 0.05 O ATOM 1642 CB LEU A 102 -10.600 -0.290 -11.962 1.00 0.05 C ATOM 1643 CG LEU A 102 -10.500 1.229 -11.801 1.00 0.05 C ATOM 1644 CD1 LEU A 102 -9.185 1.734 -12.365 1.00 0.05 C ATOM 1645 CD2 LEU A 102 -11.675 1.920 -12.478 1.00 0.05 C ATOM 0 H LEU A 102 -11.010 -0.375 -9.475 1.00 0.05 H new ATOM 0 HA LEU A 102 -12.725 -0.610 -11.830 1.00 0.05 H new ATOM 0 HB2 LEU A 102 -9.703 -0.743 -11.539 1.00 0.05 H new ATOM 0 HB3 LEU A 102 -10.606 -0.526 -13.026 1.00 0.05 H new ATOM 0 HG LEU A 102 -10.534 1.466 -10.738 1.00 0.05 H new ATOM 0 HD11 LEU A 102 -9.128 2.816 -12.243 1.00 0.05 H new ATOM 0 HD12 LEU A 102 -8.357 1.265 -11.833 1.00 0.05 H new ATOM 0 HD13 LEU A 102 -9.124 1.484 -13.424 1.00 0.05 H new ATOM 0 HD21 LEU A 102 -11.585 2.999 -12.352 1.00 0.05 H new ATOM 0 HD22 LEU A 102 -11.676 1.678 -13.541 1.00 0.05 H new ATOM 0 HD23 LEU A 102 -12.607 1.579 -12.027 1.00 0.05 H new ATOM 1657 N PHE A 103 -10.883 -3.056 -10.583 1.00 0.09 N ATOM 1658 CA PHE A 103 -10.691 -4.502 -10.611 1.00 0.09 C ATOM 1659 C PHE A 103 -11.483 -5.191 -9.504 1.00 0.09 C ATOM 1660 O PHE A 103 -12.534 -4.709 -9.080 1.00 0.09 O ATOM 1661 CB PHE A 103 -9.205 -4.835 -10.472 1.00 0.09 C ATOM 1662 CG PHE A 103 -8.302 -3.698 -10.831 1.00 0.09 C ATOM 1663 CD1 PHE A 103 -7.905 -3.487 -12.141 1.00 0.09 C ATOM 1664 CD2 PHE A 103 -7.851 -2.840 -9.850 1.00 0.09 C ATOM 1665 CE1 PHE A 103 -7.067 -2.435 -12.461 1.00 0.09 C ATOM 1666 CE2 PHE A 103 -7.018 -1.792 -10.160 1.00 0.09 C ATOM 1667 CZ PHE A 103 -6.621 -1.586 -11.466 1.00 0.09 C ATOM 0 H PHE A 103 -10.333 -2.569 -9.875 1.00 0.09 H new ATOM 0 HA PHE A 103 -11.059 -4.871 -11.569 1.00 0.09 H new ATOM 0 HB2 PHE A 103 -9.003 -5.138 -9.445 1.00 0.09 H new ATOM 0 HB3 PHE A 103 -8.971 -5.689 -11.108 1.00 0.09 H new ATOM 0 HD1 PHE A 103 -8.253 -4.150 -12.919 1.00 0.09 H new ATOM 0 HD2 PHE A 103 -8.156 -2.994 -8.825 1.00 0.09 H new ATOM 0 HE1 PHE A 103 -6.762 -2.277 -13.485 1.00 0.09 H new ATOM 0 HE2 PHE A 103 -6.673 -1.128 -9.381 1.00 0.09 H new ATOM 0 HZ PHE A 103 -5.964 -0.764 -11.709 1.00 0.09 H new ATOM 1677 N GLU A 104 -10.964 -6.325 -9.045 1.00 0.04 N ATOM 1678 CA GLU A 104 -11.600 -7.100 -7.993 1.00 0.04 C ATOM 1679 C GLU A 104 -10.541 -7.734 -7.105 1.00 0.04 C ATOM 1680 O GLU A 104 -9.396 -7.291 -7.083 1.00 0.04 O ATOM 1681 CB GLU A 104 -12.505 -8.179 -8.594 1.00 0.04 C ATOM 1682 CG GLU A 104 -11.777 -9.138 -9.521 1.00 0.04 C ATOM 1683 CD GLU A 104 -12.653 -10.291 -9.973 1.00 0.04 C ATOM 1684 OE1 GLU A 104 -13.397 -10.120 -10.961 1.00 0.04 O ATOM 1685 OE2 GLU A 104 -12.595 -11.365 -9.337 1.00 0.04 O ATOM 0 H GLU A 104 -10.094 -6.729 -9.392 1.00 0.04 H new ATOM 0 HA GLU A 104 -12.216 -6.433 -7.389 1.00 0.04 H new ATOM 0 HB2 GLU A 104 -12.965 -8.747 -7.785 1.00 0.04 H new ATOM 0 HB3 GLU A 104 -13.313 -7.698 -9.145 1.00 0.04 H new ATOM 0 HG2 GLU A 104 -11.421 -8.593 -10.395 1.00 0.04 H new ATOM 0 HG3 GLU A 104 -10.898 -9.533 -9.012 1.00 0.04 H new ATOM 1692 N THR A 105 -10.924 -8.762 -6.367 1.00 0.06 N ATOM 1693 CA THR A 105 -9.984 -9.443 -5.488 1.00 0.06 C ATOM 1694 C THR A 105 -8.858 -10.094 -6.287 1.00 0.06 C ATOM 1695 O THR A 105 -7.686 -9.767 -6.103 1.00 0.06 O ATOM 1696 CB THR A 105 -10.683 -10.521 -4.638 1.00 0.06 C ATOM 1697 OG1 THR A 105 -11.548 -9.909 -3.674 1.00 0.06 O ATOM 1698 CG2 THR A 105 -9.663 -11.399 -3.934 1.00 0.06 C ATOM 0 H THR A 105 -11.870 -9.142 -6.357 1.00 0.06 H new ATOM 0 HA THR A 105 -9.567 -8.684 -4.825 1.00 0.06 H new ATOM 0 HB THR A 105 -11.277 -11.146 -5.304 1.00 0.06 H new ATOM 0 HG1 THR A 105 -11.151 -9.068 -3.366 1.00 0.06 H new ATOM 0 HG21 THR A 105 -10.180 -12.153 -3.340 1.00 0.06 H new ATOM 0 HG22 THR A 105 -9.033 -11.891 -4.675 1.00 0.06 H new ATOM 0 HG23 THR A 105 -9.043 -10.785 -3.281 1.00 0.06 H new ATOM 1706 N ASP A 106 -9.217 -11.007 -7.181 1.00 0.06 N ATOM 1707 CA ASP A 106 -8.225 -11.691 -8.000 1.00 0.06 C ATOM 1708 C ASP A 106 -7.725 -10.769 -9.099 1.00 0.06 C ATOM 1709 O ASP A 106 -6.604 -10.910 -9.589 1.00 0.06 O ATOM 1710 CB ASP A 106 -8.814 -12.965 -8.607 1.00 0.06 C ATOM 1711 CG ASP A 106 -7.796 -13.739 -9.420 1.00 0.06 C ATOM 1712 OD1 ASP A 106 -7.041 -14.536 -8.824 1.00 0.06 O ATOM 1713 OD2 ASP A 106 -7.752 -13.548 -10.654 1.00 0.06 O ATOM 0 H ASP A 106 -10.181 -11.289 -7.357 1.00 0.06 H new ATOM 0 HA ASP A 106 -7.385 -11.968 -7.363 1.00 0.06 H new ATOM 0 HB2 ASP A 106 -9.198 -13.601 -7.809 1.00 0.06 H new ATOM 0 HB3 ASP A 106 -9.661 -12.704 -9.242 1.00 0.06 H new ATOM 1718 N GLY A 107 -8.568 -9.816 -9.471 1.00 0.07 N ATOM 1719 CA GLY A 107 -8.202 -8.866 -10.502 1.00 0.07 C ATOM 1720 C GLY A 107 -7.104 -7.942 -10.033 1.00 0.07 C ATOM 1721 O GLY A 107 -5.995 -7.960 -10.564 1.00 0.07 O ATOM 0 H GLY A 107 -9.499 -9.684 -9.077 1.00 0.07 H new ATOM 0 HA2 GLY A 107 -7.874 -9.402 -11.393 1.00 0.07 H new ATOM 0 HA3 GLY A 107 -9.076 -8.280 -10.786 1.00 0.07 H new ATOM 1725 N ALA A 108 -7.415 -7.140 -9.021 1.00 0.07 N ATOM 1726 CA ALA A 108 -6.456 -6.204 -8.458 1.00 0.07 C ATOM 1727 C ALA A 108 -5.159 -6.911 -8.108 1.00 0.07 C ATOM 1728 O ALA A 108 -4.079 -6.450 -8.462 1.00 0.07 O ATOM 1729 CB ALA A 108 -7.042 -5.535 -7.227 1.00 0.07 C ATOM 0 H ALA A 108 -8.331 -7.122 -8.573 1.00 0.07 H new ATOM 0 HA ALA A 108 -6.238 -5.440 -9.204 1.00 0.07 H new ATOM 0 HB1 ALA A 108 -6.316 -4.836 -6.813 1.00 0.07 H new ATOM 0 HB2 ALA A 108 -7.949 -4.996 -7.503 1.00 0.07 H new ATOM 0 HB3 ALA A 108 -7.283 -6.292 -6.481 1.00 0.07 H new ATOM 1735 N LEU A 109 -5.266 -8.036 -7.411 1.00 0.03 N ATOM 1736 CA LEU A 109 -4.088 -8.794 -7.036 1.00 0.03 C ATOM 1737 C LEU A 109 -3.247 -9.107 -8.270 1.00 0.03 C ATOM 1738 O LEU A 109 -2.019 -9.103 -8.208 1.00 0.03 O ATOM 1739 CB LEU A 109 -4.489 -10.072 -6.315 1.00 0.03 C ATOM 1740 CG LEU A 109 -3.524 -10.562 -5.228 1.00 0.03 C ATOM 1741 CD1 LEU A 109 -3.067 -9.415 -4.336 1.00 0.03 C ATOM 1742 CD2 LEU A 109 -4.191 -11.637 -4.389 1.00 0.03 C ATOM 0 H LEU A 109 -6.150 -8.437 -7.098 1.00 0.03 H new ATOM 0 HA LEU A 109 -3.485 -8.194 -6.354 1.00 0.03 H new ATOM 0 HB2 LEU A 109 -5.468 -9.918 -5.861 1.00 0.03 H new ATOM 0 HB3 LEU A 109 -4.602 -10.863 -7.056 1.00 0.03 H new ATOM 0 HG LEU A 109 -2.645 -10.979 -5.720 1.00 0.03 H new ATOM 0 HD11 LEU A 109 -2.384 -9.795 -3.576 1.00 0.03 H new ATOM 0 HD12 LEU A 109 -2.556 -8.665 -4.940 1.00 0.03 H new ATOM 0 HD13 LEU A 109 -3.933 -8.963 -3.852 1.00 0.03 H new ATOM 0 HD21 LEU A 109 -3.499 -11.980 -3.620 1.00 0.03 H new ATOM 0 HD22 LEU A 109 -5.085 -11.228 -3.917 1.00 0.03 H new ATOM 0 HD23 LEU A 109 -4.469 -12.476 -5.027 1.00 0.03 H new ATOM 1754 N GLU A 110 -3.916 -9.365 -9.396 1.00 0.06 N ATOM 1755 CA GLU A 110 -3.215 -9.651 -10.643 1.00 0.06 C ATOM 1756 C GLU A 110 -2.443 -8.419 -11.095 1.00 0.06 C ATOM 1757 O GLU A 110 -1.331 -8.528 -11.609 1.00 0.06 O ATOM 1758 CB GLU A 110 -4.189 -10.096 -11.732 1.00 0.06 C ATOM 1759 CG GLU A 110 -4.431 -11.596 -11.758 1.00 0.06 C ATOM 1760 CD GLU A 110 -5.332 -12.021 -12.903 1.00 0.06 C ATOM 1761 OE1 GLU A 110 -4.806 -12.302 -14.000 1.00 0.06 O ATOM 1762 OE2 GLU A 110 -6.563 -12.073 -12.701 1.00 0.06 O ATOM 0 H GLU A 110 -4.933 -9.381 -9.467 1.00 0.06 H new ATOM 0 HA GLU A 110 -2.516 -10.468 -10.465 1.00 0.06 H new ATOM 0 HB2 GLU A 110 -5.141 -9.586 -11.586 1.00 0.06 H new ATOM 0 HB3 GLU A 110 -3.804 -9.782 -12.702 1.00 0.06 H new ATOM 0 HG2 GLU A 110 -3.475 -12.113 -11.841 1.00 0.06 H new ATOM 0 HG3 GLU A 110 -4.879 -11.905 -10.814 1.00 0.06 H new ATOM 1769 N GLU A 111 -3.049 -7.246 -10.908 1.00 0.06 N ATOM 1770 CA GLU A 111 -2.411 -5.984 -11.262 1.00 0.06 C ATOM 1771 C GLU A 111 -1.025 -5.917 -10.647 1.00 0.06 C ATOM 1772 O GLU A 111 -0.017 -5.807 -11.343 1.00 0.06 O ATOM 1773 CB GLU A 111 -3.260 -4.815 -10.764 1.00 0.06 C ATOM 1774 CG GLU A 111 -4.350 -4.415 -11.724 1.00 0.06 C ATOM 1775 CD GLU A 111 -5.180 -5.589 -12.206 1.00 0.06 C ATOM 1776 OE1 GLU A 111 -4.726 -6.301 -13.126 1.00 0.06 O ATOM 1777 OE2 GLU A 111 -6.285 -5.793 -11.668 1.00 0.06 O ATOM 0 H GLU A 111 -3.984 -7.147 -10.512 1.00 0.06 H new ATOM 0 HA GLU A 111 -2.322 -5.921 -12.347 1.00 0.06 H new ATOM 0 HB2 GLU A 111 -3.709 -5.083 -9.808 1.00 0.06 H new ATOM 0 HB3 GLU A 111 -2.613 -3.957 -10.583 1.00 0.06 H new ATOM 0 HG2 GLU A 111 -5.004 -3.690 -11.240 1.00 0.06 H new ATOM 0 HG3 GLU A 111 -3.903 -3.916 -12.584 1.00 0.06 H new ATOM 1784 N ILE A 112 -0.987 -5.989 -9.330 1.00 0.04 N ATOM 1785 CA ILE A 112 0.278 -5.964 -8.615 1.00 0.04 C ATOM 1786 C ILE A 112 1.276 -6.907 -9.276 1.00 0.04 C ATOM 1787 O ILE A 112 2.323 -6.477 -9.744 1.00 0.04 O ATOM 1788 CB ILE A 112 0.108 -6.376 -7.138 1.00 0.04 C ATOM 1789 CG1 ILE A 112 -0.788 -5.380 -6.408 1.00 0.04 C ATOM 1790 CG2 ILE A 112 1.462 -6.486 -6.448 1.00 0.04 C ATOM 1791 CD1 ILE A 112 -2.198 -5.875 -6.198 1.00 0.04 C ATOM 0 H ILE A 112 -1.812 -6.065 -8.735 1.00 0.04 H new ATOM 0 HA ILE A 112 0.648 -4.939 -8.651 1.00 0.04 H new ATOM 0 HB ILE A 112 -0.368 -7.356 -7.108 1.00 0.04 H new ATOM 0 HG12 ILE A 112 -0.345 -5.148 -5.439 1.00 0.04 H new ATOM 0 HG13 ILE A 112 -0.819 -4.449 -6.975 1.00 0.04 H new ATOM 0 HG21 ILE A 112 1.318 -6.778 -5.408 1.00 0.04 H new ATOM 0 HG22 ILE A 112 2.069 -7.237 -6.954 1.00 0.04 H new ATOM 0 HG23 ILE A 112 1.970 -5.522 -6.488 1.00 0.04 H new ATOM 0 HD11 ILE A 112 -2.776 -5.114 -5.673 1.00 0.04 H new ATOM 0 HD12 ILE A 112 -2.660 -6.079 -7.164 1.00 0.04 H new ATOM 0 HD13 ILE A 112 -2.178 -6.789 -5.605 1.00 0.04 H new ATOM 1803 N LEU A 113 0.912 -8.183 -9.352 1.00 0.01 N ATOM 1804 CA LEU A 113 1.763 -9.209 -9.934 1.00 0.01 C ATOM 1805 C LEU A 113 2.330 -8.816 -11.301 1.00 0.01 C ATOM 1806 O LEU A 113 3.542 -8.868 -11.511 1.00 0.01 O ATOM 1807 CB LEU A 113 0.954 -10.498 -10.061 1.00 0.01 C ATOM 1808 CG LEU A 113 0.756 -11.317 -8.775 1.00 0.01 C ATOM 1809 CD1 LEU A 113 1.220 -10.560 -7.537 1.00 0.01 C ATOM 1810 CD2 LEU A 113 -0.696 -11.714 -8.649 1.00 0.01 C ATOM 0 H LEU A 113 0.017 -8.533 -9.011 1.00 0.01 H new ATOM 0 HA LEU A 113 2.619 -9.345 -9.272 1.00 0.01 H new ATOM 0 HB2 LEU A 113 -0.029 -10.245 -10.458 1.00 0.01 H new ATOM 0 HB3 LEU A 113 1.442 -11.135 -10.799 1.00 0.01 H new ATOM 0 HG LEU A 113 1.373 -12.213 -8.845 1.00 0.01 H new ATOM 0 HD11 LEU A 113 1.061 -11.177 -6.653 1.00 0.01 H new ATOM 0 HD12 LEU A 113 2.280 -10.325 -7.630 1.00 0.01 H new ATOM 0 HD13 LEU A 113 0.651 -9.635 -7.441 1.00 0.01 H new ATOM 0 HD21 LEU A 113 -0.837 -12.295 -7.737 1.00 0.01 H new ATOM 0 HD22 LEU A 113 -1.316 -10.818 -8.608 1.00 0.01 H new ATOM 0 HD23 LEU A 113 -0.985 -12.316 -9.511 1.00 0.01 H new ATOM 1822 N ARG A 114 1.455 -8.429 -12.225 1.00 0.07 N ATOM 1823 CA ARG A 114 1.876 -8.066 -13.579 1.00 0.07 C ATOM 1824 C ARG A 114 3.003 -7.033 -13.591 1.00 0.07 C ATOM 1825 O ARG A 114 3.874 -7.080 -14.461 1.00 0.07 O ATOM 1826 CB ARG A 114 0.690 -7.562 -14.409 1.00 0.07 C ATOM 1827 CG ARG A 114 0.215 -6.170 -14.057 1.00 0.07 C ATOM 1828 CD ARG A 114 -0.342 -5.447 -15.270 1.00 0.07 C ATOM 1829 NE ARG A 114 0.701 -5.120 -16.240 1.00 0.07 N ATOM 1830 CZ ARG A 114 0.479 -4.443 -17.363 1.00 0.07 C ATOM 1831 NH1 ARG A 114 -0.743 -4.018 -17.656 1.00 0.07 N ATOM 1832 NH2 ARG A 114 1.481 -4.188 -18.193 1.00 0.07 N ATOM 0 H ARG A 114 0.450 -8.358 -12.063 1.00 0.07 H new ATOM 0 HA ARG A 114 2.267 -8.977 -14.032 1.00 0.07 H new ATOM 0 HB2 ARG A 114 0.968 -7.580 -15.463 1.00 0.07 H new ATOM 0 HB3 ARG A 114 -0.142 -8.256 -14.287 1.00 0.07 H new ATOM 0 HG2 ARG A 114 -0.552 -6.231 -13.285 1.00 0.07 H new ATOM 0 HG3 ARG A 114 1.043 -5.597 -13.639 1.00 0.07 H new ATOM 0 HD2 ARG A 114 -1.098 -6.070 -15.747 1.00 0.07 H new ATOM 0 HD3 ARG A 114 -0.839 -4.531 -14.950 1.00 0.07 H new ATOM 0 HE ARG A 114 1.653 -5.429 -16.045 1.00 0.07 H new ATOM 0 HH11 ARG A 114 -1.516 -4.210 -17.019 1.00 0.07 H new ATOM 0 HH12 ARG A 114 -0.909 -3.499 -18.518 1.00 0.07 H new ATOM 0 HH21 ARG A 114 2.423 -4.511 -17.970 1.00 0.07 H new ATOM 0 HH22 ARG A 114 1.310 -3.669 -19.054 1.00 0.07 H new ATOM 1846 N PHE A 115 2.996 -6.101 -12.641 1.00 0.13 N ATOM 1847 CA PHE A 115 4.041 -5.078 -12.598 1.00 0.13 C ATOM 1848 C PHE A 115 4.879 -5.168 -11.330 1.00 0.13 C ATOM 1849 O PHE A 115 5.696 -4.288 -11.053 1.00 0.13 O ATOM 1850 CB PHE A 115 3.447 -3.674 -12.722 1.00 0.13 C ATOM 1851 CG PHE A 115 2.401 -3.332 -11.694 1.00 0.13 C ATOM 1852 CD1 PHE A 115 2.743 -3.166 -10.361 1.00 0.13 C ATOM 1853 CD2 PHE A 115 1.076 -3.162 -12.066 1.00 0.13 C ATOM 1854 CE1 PHE A 115 1.786 -2.842 -9.419 1.00 0.13 C ATOM 1855 CE2 PHE A 115 0.114 -2.836 -11.127 1.00 0.13 C ATOM 1856 CZ PHE A 115 0.471 -2.677 -9.802 1.00 0.13 C ATOM 0 H PHE A 115 2.294 -6.031 -11.904 1.00 0.13 H new ATOM 0 HA PHE A 115 4.693 -5.266 -13.451 1.00 0.13 H new ATOM 0 HB2 PHE A 115 4.255 -2.946 -12.652 1.00 0.13 H new ATOM 0 HB3 PHE A 115 3.008 -3.568 -13.714 1.00 0.13 H new ATOM 0 HD1 PHE A 115 3.771 -3.292 -10.055 1.00 0.13 H new ATOM 0 HD2 PHE A 115 0.792 -3.286 -13.101 1.00 0.13 H new ATOM 0 HE1 PHE A 115 2.067 -2.718 -8.384 1.00 0.13 H new ATOM 0 HE2 PHE A 115 -0.915 -2.706 -11.429 1.00 0.13 H new ATOM 0 HZ PHE A 115 -0.279 -2.424 -9.067 1.00 0.13 H new ATOM 1866 N SER A 116 4.677 -6.226 -10.564 1.00 0.11 N ATOM 1867 CA SER A 116 5.416 -6.414 -9.322 1.00 0.11 C ATOM 1868 C SER A 116 6.706 -7.190 -9.551 1.00 0.11 C ATOM 1869 O SER A 116 7.691 -6.993 -8.839 1.00 0.11 O ATOM 1870 CB SER A 116 4.564 -7.143 -8.282 1.00 0.11 C ATOM 1871 OG SER A 116 5.308 -7.406 -7.105 1.00 0.11 O ATOM 0 H SER A 116 4.010 -6.968 -10.777 1.00 0.11 H new ATOM 0 HA SER A 116 5.667 -5.421 -8.948 1.00 0.11 H new ATOM 0 HB2 SER A 116 3.690 -6.540 -8.036 1.00 0.11 H new ATOM 0 HB3 SER A 116 4.197 -8.080 -8.701 1.00 0.11 H new ATOM 0 HG SER A 116 5.307 -6.610 -6.533 1.00 0.11 H new ATOM 1877 N THR A 117 6.686 -8.078 -10.542 1.00 0.02 N ATOM 1878 CA THR A 117 7.845 -8.903 -10.868 1.00 0.02 C ATOM 1879 C THR A 117 8.329 -9.669 -9.641 1.00 0.02 C ATOM 1880 O THR A 117 9.470 -10.128 -9.592 1.00 0.02 O ATOM 1881 CB THR A 117 9.005 -8.063 -11.438 1.00 0.02 C ATOM 1882 OG1 THR A 117 9.617 -7.289 -10.400 1.00 0.02 O ATOM 1883 CG2 THR A 117 8.508 -7.138 -12.537 1.00 0.02 C ATOM 0 H THR A 117 5.874 -8.245 -11.136 1.00 0.02 H new ATOM 0 HA THR A 117 7.524 -9.610 -11.633 1.00 0.02 H new ATOM 0 HB THR A 117 9.743 -8.746 -11.858 1.00 0.02 H new ATOM 0 HG1 THR A 117 9.093 -7.375 -9.576 1.00 0.02 H new ATOM 0 HG21 THR A 117 9.342 -6.554 -12.926 1.00 0.02 H new ATOM 0 HG22 THR A 117 8.073 -7.730 -13.342 1.00 0.02 H new ATOM 0 HG23 THR A 117 7.752 -6.465 -12.132 1.00 0.02 H new ATOM 1891 N PHE A 118 7.443 -9.795 -8.654 1.00 0.04 N ATOM 1892 CA PHE A 118 7.747 -10.502 -7.419 1.00 0.04 C ATOM 1893 C PHE A 118 8.438 -11.835 -7.699 1.00 0.04 C ATOM 1894 O PHE A 118 7.831 -12.780 -8.205 1.00 0.04 O ATOM 1895 CB PHE A 118 6.466 -10.714 -6.602 1.00 0.04 C ATOM 1896 CG PHE A 118 5.448 -11.601 -7.264 1.00 0.04 C ATOM 1897 CD1 PHE A 118 4.799 -11.191 -8.415 1.00 0.04 C ATOM 1898 CD2 PHE A 118 5.138 -12.841 -6.730 1.00 0.04 C ATOM 1899 CE1 PHE A 118 3.860 -11.996 -9.020 1.00 0.04 C ATOM 1900 CE2 PHE A 118 4.197 -13.654 -7.333 1.00 0.04 C ATOM 1901 CZ PHE A 118 3.557 -13.230 -8.482 1.00 0.04 C ATOM 0 H PHE A 118 6.499 -9.410 -8.691 1.00 0.04 H new ATOM 0 HA PHE A 118 8.436 -9.890 -6.837 1.00 0.04 H new ATOM 0 HB2 PHE A 118 6.732 -11.144 -5.637 1.00 0.04 H new ATOM 0 HB3 PHE A 118 6.011 -9.744 -6.404 1.00 0.04 H new ATOM 0 HD1 PHE A 118 5.032 -10.228 -8.844 1.00 0.04 H new ATOM 0 HD2 PHE A 118 5.637 -13.176 -5.833 1.00 0.04 H new ATOM 0 HE1 PHE A 118 3.360 -11.661 -9.917 1.00 0.04 H new ATOM 0 HE2 PHE A 118 3.962 -14.618 -6.907 1.00 0.04 H new ATOM 0 HZ PHE A 118 2.822 -13.862 -8.957 1.00 0.04 H new ATOM 1911 N GLY A 119 9.722 -11.890 -7.377 1.00 0.12 N ATOM 1912 CA GLY A 119 10.496 -13.097 -7.586 1.00 0.12 C ATOM 1913 C GLY A 119 11.159 -13.557 -6.308 1.00 0.12 C ATOM 1914 O GLY A 119 12.143 -14.296 -6.333 1.00 0.12 O ATOM 0 H GLY A 119 10.245 -11.114 -6.972 1.00 0.12 H new ATOM 0 HA2 GLY A 119 9.847 -13.886 -7.965 1.00 0.12 H new ATOM 0 HA3 GLY A 119 11.255 -12.917 -8.347 1.00 0.12 H new ATOM 1918 N VAL A 120 10.610 -13.108 -5.185 1.00 0.15 N ATOM 1919 CA VAL A 120 11.127 -13.448 -3.876 1.00 0.15 C ATOM 1920 C VAL A 120 11.038 -14.948 -3.615 1.00 0.15 C ATOM 1921 O VAL A 120 10.744 -15.732 -4.517 1.00 0.15 O ATOM 1922 CB VAL A 120 10.351 -12.686 -2.786 1.00 0.15 C ATOM 1923 CG1 VAL A 120 10.298 -11.207 -3.118 1.00 0.15 C ATOM 1924 CG2 VAL A 120 8.948 -13.253 -2.615 1.00 0.15 C ATOM 0 H VAL A 120 9.793 -12.498 -5.163 1.00 0.15 H new ATOM 0 HA VAL A 120 12.177 -13.158 -3.847 1.00 0.15 H new ATOM 0 HB VAL A 120 10.877 -12.811 -1.839 1.00 0.15 H new ATOM 0 HG11 VAL A 120 9.747 -10.679 -2.340 1.00 0.15 H new ATOM 0 HG12 VAL A 120 11.312 -10.811 -3.177 1.00 0.15 H new ATOM 0 HG13 VAL A 120 9.797 -11.067 -4.076 1.00 0.15 H new ATOM 0 HG21 VAL A 120 8.423 -12.696 -1.839 1.00 0.15 H new ATOM 0 HG22 VAL A 120 8.404 -13.167 -3.555 1.00 0.15 H new ATOM 0 HG23 VAL A 120 9.012 -14.303 -2.328 1.00 0.15 H new ATOM 1934 N THR A 121 11.296 -15.337 -2.373 1.00 0.19 N ATOM 1935 CA THR A 121 11.243 -16.738 -1.985 1.00 0.19 C ATOM 1936 C THR A 121 9.862 -17.319 -2.259 1.00 0.19 C ATOM 1937 O THR A 121 9.720 -18.309 -2.976 1.00 0.19 O ATOM 1938 CB THR A 121 11.574 -16.914 -0.495 1.00 0.19 C ATOM 1939 OG1 THR A 121 12.798 -16.239 -0.180 1.00 0.19 O ATOM 1940 CG2 THR A 121 11.697 -18.385 -0.143 1.00 0.19 C ATOM 0 H THR A 121 11.544 -14.699 -1.617 1.00 0.19 H new ATOM 0 HA THR A 121 11.987 -17.269 -2.579 1.00 0.19 H new ATOM 0 HB THR A 121 10.762 -16.481 0.089 1.00 0.19 H new ATOM 0 HG1 THR A 121 13.000 -16.355 0.772 1.00 0.19 H new ATOM 0 HG21 THR A 121 11.932 -18.487 0.917 1.00 0.19 H new ATOM 0 HG22 THR A 121 10.755 -18.890 -0.356 1.00 0.19 H new ATOM 0 HG23 THR A 121 12.493 -18.836 -0.736 1.00 0.19 H new ATOM 1948 N GLU A 122 8.848 -16.687 -1.680 1.00 0.08 N ATOM 1949 CA GLU A 122 7.470 -17.120 -1.851 1.00 0.08 C ATOM 1950 C GLU A 122 6.507 -16.070 -1.296 1.00 0.08 C ATOM 1951 O GLU A 122 6.533 -15.771 -0.102 1.00 0.08 O ATOM 1952 CB GLU A 122 7.241 -18.459 -1.151 1.00 0.08 C ATOM 1953 CG GLU A 122 7.788 -18.499 0.260 1.00 0.08 C ATOM 1954 CD GLU A 122 7.785 -19.896 0.850 1.00 0.08 C ATOM 1955 OE1 GLU A 122 6.747 -20.298 1.417 1.00 0.08 O ATOM 1956 OE2 GLU A 122 8.820 -20.587 0.744 1.00 0.08 O ATOM 0 H GLU A 122 8.958 -15.867 -1.084 1.00 0.08 H new ATOM 0 HA GLU A 122 7.279 -17.243 -2.917 1.00 0.08 H new ATOM 0 HB2 GLU A 122 6.172 -18.669 -1.125 1.00 0.08 H new ATOM 0 HB3 GLU A 122 7.707 -19.251 -1.736 1.00 0.08 H new ATOM 0 HG2 GLU A 122 8.806 -18.111 0.261 1.00 0.08 H new ATOM 0 HG3 GLU A 122 7.195 -17.840 0.894 1.00 0.08 H new ATOM 1963 N PRO A 123 5.644 -15.489 -2.152 1.00 0.00 N ATOM 1964 CA PRO A 123 4.679 -14.472 -1.720 1.00 0.00 C ATOM 1965 C PRO A 123 3.648 -15.052 -0.756 1.00 0.00 C ATOM 1966 O PRO A 123 2.809 -14.332 -0.214 1.00 0.00 O ATOM 1967 CB PRO A 123 4.003 -14.038 -3.024 1.00 0.00 C ATOM 1968 CG PRO A 123 4.192 -15.189 -3.949 1.00 0.00 C ATOM 1969 CD PRO A 123 5.527 -15.778 -3.593 1.00 0.00 C ATOM 0 HA PRO A 123 5.156 -13.651 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.946 -13.824 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.457 -13.131 -3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.395 -15.923 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.172 -14.863 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.562 -16.849 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 123 6.335 -15.320 -4.163 1.00 0.00 H new ATOM 1977 N VAL A 124 3.726 -16.366 -0.554 1.00 0.16 N ATOM 1978 CA VAL A 124 2.810 -17.077 0.329 1.00 0.16 C ATOM 1979 C VAL A 124 2.784 -16.483 1.735 1.00 0.16 C ATOM 1980 O VAL A 124 1.893 -15.703 2.072 1.00 0.16 O ATOM 1981 CB VAL A 124 3.185 -18.567 0.429 1.00 0.16 C ATOM 1982 CG1 VAL A 124 2.221 -19.305 1.345 1.00 0.16 C ATOM 1983 CG2 VAL A 124 3.222 -19.202 -0.951 1.00 0.16 C ATOM 0 H VAL A 124 4.424 -16.964 -0.997 1.00 0.16 H new ATOM 0 HA VAL A 124 1.819 -16.972 -0.112 1.00 0.16 H new ATOM 0 HB VAL A 124 4.182 -18.642 0.863 1.00 0.16 H new ATOM 0 HG11 VAL A 124 2.505 -20.356 1.401 1.00 0.16 H new ATOM 0 HG12 VAL A 124 2.258 -18.866 2.342 1.00 0.16 H new ATOM 0 HG13 VAL A 124 1.209 -19.223 0.950 1.00 0.16 H new ATOM 0 HG21 VAL A 124 3.489 -20.255 -0.860 1.00 0.16 H new ATOM 0 HG22 VAL A 124 2.241 -19.115 -1.418 1.00 0.16 H new ATOM 0 HG23 VAL A 124 3.963 -18.692 -1.566 1.00 0.16 H new ATOM 1993 N ASN A 125 3.765 -16.858 2.552 1.00 0.11 N ATOM 1994 CA ASN A 125 3.838 -16.383 3.926 1.00 0.11 C ATOM 1995 C ASN A 125 4.399 -14.965 3.999 1.00 0.11 C ATOM 1996 O ASN A 125 4.788 -14.498 5.070 1.00 0.11 O ATOM 1997 CB ASN A 125 4.699 -17.329 4.761 1.00 0.11 C ATOM 1998 CG ASN A 125 6.132 -17.397 4.271 1.00 0.11 C ATOM 1999 OD1 ASN A 125 6.987 -16.629 4.709 1.00 0.11 O ATOM 2000 ND2 ASN A 125 6.400 -18.321 3.356 1.00 0.11 N ATOM 0 H ASN A 125 4.520 -17.490 2.284 1.00 0.11 H new ATOM 0 HA ASN A 125 2.825 -16.364 4.328 1.00 0.11 H new ATOM 0 HB2 ASN A 125 4.689 -17.001 5.801 1.00 0.11 H new ATOM 0 HB3 ASN A 125 4.263 -18.328 4.738 1.00 0.11 H new ATOM 0 HD21 ASN A 125 7.347 -18.415 2.988 1.00 0.11 H new ATOM 0 HD22 ASN A 125 5.659 -18.937 3.021 1.00 0.11 H new ATOM 2007 N ASP A 126 4.438 -14.286 2.858 1.00 0.05 N ATOM 2008 CA ASP A 126 4.949 -12.922 2.797 1.00 0.05 C ATOM 2009 C ASP A 126 4.113 -11.996 3.678 1.00 0.05 C ATOM 2010 O ASP A 126 2.928 -11.782 3.423 1.00 0.05 O ATOM 2011 CB ASP A 126 4.944 -12.423 1.351 1.00 0.05 C ATOM 2012 CG ASP A 126 5.714 -11.128 1.181 1.00 0.05 C ATOM 2013 OD1 ASP A 126 6.958 -11.160 1.281 1.00 0.05 O ATOM 2014 OD2 ASP A 126 5.072 -10.084 0.947 1.00 0.05 O ATOM 0 H ASP A 126 4.122 -14.658 1.963 1.00 0.05 H new ATOM 0 HA ASP A 126 5.974 -12.918 3.168 1.00 0.05 H new ATOM 0 HB2 ASP A 126 5.377 -13.187 0.705 1.00 0.05 H new ATOM 0 HB3 ASP A 126 3.915 -12.275 1.025 1.00 0.05 H new ATOM 2019 N ARG A 127 4.747 -11.460 4.720 1.00 0.11 N ATOM 2020 CA ARG A 127 4.077 -10.554 5.657 1.00 0.11 C ATOM 2021 C ARG A 127 3.324 -9.453 4.922 1.00 0.11 C ATOM 2022 O ARG A 127 2.222 -9.071 5.313 1.00 0.11 O ATOM 2023 CB ARG A 127 5.072 -9.913 6.639 1.00 0.11 C ATOM 2024 CG ARG A 127 6.545 -10.026 6.254 1.00 0.11 C ATOM 2025 CD ARG A 127 6.834 -9.375 4.910 1.00 0.11 C ATOM 2026 NE ARG A 127 8.242 -9.490 4.537 1.00 0.11 N ATOM 2027 CZ ARG A 127 8.760 -8.959 3.433 1.00 0.11 C ATOM 2028 NH1 ARG A 127 7.990 -8.276 2.597 1.00 0.11 N ATOM 2029 NH2 ARG A 127 10.049 -9.112 3.165 1.00 0.11 N ATOM 0 H ARG A 127 5.727 -11.637 4.939 1.00 0.11 H new ATOM 0 HA ARG A 127 3.368 -11.161 6.220 1.00 0.11 H new ATOM 0 HB2 ARG A 127 4.822 -8.857 6.744 1.00 0.11 H new ATOM 0 HB3 ARG A 127 4.935 -10.372 7.618 1.00 0.11 H new ATOM 0 HG2 ARG A 127 7.158 -9.557 7.023 1.00 0.11 H new ATOM 0 HG3 ARG A 127 6.830 -11.077 6.216 1.00 0.11 H new ATOM 0 HD2 ARG A 127 6.216 -9.840 4.142 1.00 0.11 H new ATOM 0 HD3 ARG A 127 6.554 -8.322 4.950 1.00 0.11 H new ATOM 0 HE ARG A 127 8.863 -10.007 5.159 1.00 0.11 H new ATOM 0 HH11 ARG A 127 6.998 -8.157 2.800 1.00 0.11 H new ATOM 0 HH12 ARG A 127 8.390 -7.870 1.751 1.00 0.11 H new ATOM 0 HH21 ARG A 127 10.644 -9.637 3.806 1.00 0.11 H new ATOM 0 HH22 ARG A 127 10.446 -8.705 2.318 1.00 0.11 H new ATOM 2043 N MET A 128 3.935 -8.940 3.865 1.00 0.03 N ATOM 2044 CA MET A 128 3.331 -7.883 3.064 1.00 0.03 C ATOM 2045 C MET A 128 2.094 -8.395 2.343 1.00 0.03 C ATOM 2046 O MET A 128 1.021 -7.803 2.437 1.00 0.03 O ATOM 2047 CB MET A 128 4.361 -7.332 2.065 1.00 0.03 C ATOM 2048 CG MET A 128 3.796 -6.959 0.699 1.00 0.03 C ATOM 2049 SD MET A 128 4.872 -7.463 -0.654 1.00 0.03 S ATOM 2050 CE MET A 128 3.651 -7.818 -1.912 1.00 0.03 C ATOM 0 H MET A 128 4.854 -9.240 3.540 1.00 0.03 H new ATOM 0 HA MET A 128 3.019 -7.074 3.725 1.00 0.03 H new ATOM 0 HB2 MET A 128 4.832 -6.450 2.500 1.00 0.03 H new ATOM 0 HB3 MET A 128 5.145 -8.076 1.927 1.00 0.03 H new ATOM 0 HG2 MET A 128 2.819 -7.425 0.574 1.00 0.03 H new ATOM 0 HG3 MET A 128 3.643 -5.881 0.655 1.00 0.03 H new ATOM 0 HE1 MET A 128 4.152 -8.146 -2.823 1.00 0.03 H new ATOM 0 HE2 MET A 128 2.985 -8.606 -1.560 1.00 0.03 H new ATOM 0 HE3 MET A 128 3.071 -6.919 -2.120 1.00 0.03 H new ATOM 2060 N PHE A 129 2.257 -9.494 1.624 1.00 0.05 N ATOM 2061 CA PHE A 129 1.159 -10.086 0.872 1.00 0.05 C ATOM 2062 C PHE A 129 -0.029 -10.381 1.781 1.00 0.05 C ATOM 2063 O PHE A 129 -1.176 -10.350 1.341 1.00 0.05 O ATOM 2064 CB PHE A 129 1.621 -11.360 0.167 1.00 0.05 C ATOM 2065 CG PHE A 129 0.573 -11.961 -0.726 1.00 0.05 C ATOM 2066 CD1 PHE A 129 0.204 -11.325 -1.900 1.00 0.05 C ATOM 2067 CD2 PHE A 129 -0.042 -13.156 -0.393 1.00 0.05 C ATOM 2068 CE1 PHE A 129 -0.760 -11.869 -2.726 1.00 0.05 C ATOM 2069 CE2 PHE A 129 -1.007 -13.706 -1.216 1.00 0.05 C ATOM 2070 CZ PHE A 129 -1.366 -13.062 -2.384 1.00 0.05 C ATOM 0 H PHE A 129 3.141 -9.996 1.544 1.00 0.05 H new ATOM 0 HA PHE A 129 0.838 -9.367 0.118 1.00 0.05 H new ATOM 0 HB2 PHE A 129 2.508 -11.137 -0.425 1.00 0.05 H new ATOM 0 HB3 PHE A 129 1.914 -12.095 0.916 1.00 0.05 H new ATOM 0 HD1 PHE A 129 0.676 -10.393 -2.173 1.00 0.05 H new ATOM 0 HD2 PHE A 129 0.235 -13.664 0.519 1.00 0.05 H new ATOM 0 HE1 PHE A 129 -1.039 -11.362 -3.638 1.00 0.05 H new ATOM 0 HE2 PHE A 129 -1.480 -14.639 -0.946 1.00 0.05 H new ATOM 0 HZ PHE A 129 -2.119 -13.491 -3.029 1.00 0.05 H new ATOM 2080 N ARG A 130 0.252 -10.680 3.047 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.802 -10.953 4.017 1.00 0.00 C ATOM 2082 C ARG A 130 -1.807 -9.811 4.021 1.00 0.00 C ATOM 2083 O ARG A 130 -3.018 -10.023 3.978 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.200 -11.106 5.413 1.00 0.00 C ATOM 2085 CG ARG A 130 0.699 -12.318 5.568 1.00 0.00 C ATOM 2086 CD ARG A 130 -0.048 -13.469 6.197 1.00 0.00 C ATOM 2087 NE ARG A 130 0.785 -14.213 7.140 1.00 0.00 N ATOM 2088 CZ ARG A 130 0.610 -15.501 7.424 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -0.360 -16.189 6.838 1.00 0.00 N ATOM 2090 NH2 ARG A 130 1.408 -16.103 8.296 1.00 0.00 N ATOM 0 H ARG A 130 1.198 -10.739 3.423 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.306 -11.879 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.372 -10.209 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -1.009 -11.171 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.082 -12.618 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.561 -12.060 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.930 -13.090 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.401 -14.142 5.416 1.00 0.00 H new ATOM 0 HE ARG A 130 1.544 -13.716 7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.976 -15.731 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.490 -17.176 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 130 2.156 -15.578 8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.273 -17.090 8.513 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.274 -8.600 4.070 1.00 0.05 N ATOM 2105 CA LEU A 131 -2.068 -7.388 4.078 1.00 0.05 C ATOM 2106 C LEU A 131 -2.574 -7.073 2.677 1.00 0.05 C ATOM 2107 O LEU A 131 -3.760 -6.816 2.471 1.00 0.05 O ATOM 2108 CB LEU A 131 -1.197 -6.248 4.584 1.00 0.05 C ATOM 2109 CG LEU A 131 -0.185 -6.653 5.646 1.00 0.05 C ATOM 2110 CD1 LEU A 131 0.949 -5.655 5.701 1.00 0.05 C ATOM 2111 CD2 LEU A 131 -0.854 -6.776 7.000 1.00 0.05 C ATOM 0 H LEU A 131 -0.268 -8.433 4.106 1.00 0.05 H new ATOM 0 HA LEU A 131 -2.933 -7.519 4.729 1.00 0.05 H new ATOM 0 HB2 LEU A 131 -0.664 -5.812 3.739 1.00 0.05 H new ATOM 0 HB3 LEU A 131 -1.841 -5.468 4.992 1.00 0.05 H new ATOM 0 HG LEU A 131 0.225 -7.627 5.379 1.00 0.05 H new ATOM 0 HD11 LEU A 131 1.664 -5.959 6.465 1.00 0.05 H new ATOM 0 HD12 LEU A 131 1.447 -5.617 4.732 1.00 0.05 H new ATOM 0 HD13 LEU A 131 0.554 -4.669 5.945 1.00 0.05 H new ATOM 0 HD21 LEU A 131 -0.114 -7.066 7.746 1.00 0.05 H new ATOM 0 HD22 LEU A 131 -1.293 -5.818 7.278 1.00 0.05 H new ATOM 0 HD23 LEU A 131 -1.637 -7.533 6.952 1.00 0.05 H new ATOM 2123 N LEU A 132 -1.647 -7.088 1.726 1.00 0.05 N ATOM 2124 CA LEU A 132 -1.952 -6.814 0.328 1.00 0.05 C ATOM 2125 C LEU A 132 -3.207 -7.548 -0.138 1.00 0.05 C ATOM 2126 O LEU A 132 -4.168 -6.925 -0.592 1.00 0.05 O ATOM 2127 CB LEU A 132 -0.763 -7.215 -0.538 1.00 0.05 C ATOM 2128 CG LEU A 132 -0.773 -6.648 -1.954 1.00 0.05 C ATOM 2129 CD1 LEU A 132 0.093 -5.404 -2.025 1.00 0.05 C ATOM 2130 CD2 LEU A 132 -0.298 -7.697 -2.947 1.00 0.05 C ATOM 0 H LEU A 132 -0.663 -7.291 1.903 1.00 0.05 H new ATOM 0 HA LEU A 132 -2.144 -5.746 0.229 1.00 0.05 H new ATOM 0 HB2 LEU A 132 0.153 -6.894 -0.041 1.00 0.05 H new ATOM 0 HB3 LEU A 132 -0.728 -8.303 -0.599 1.00 0.05 H new ATOM 0 HG LEU A 132 -1.794 -6.371 -2.216 1.00 0.05 H new ATOM 0 HD11 LEU A 132 0.078 -5.008 -3.040 1.00 0.05 H new ATOM 0 HD12 LEU A 132 -0.293 -4.652 -1.337 1.00 0.05 H new ATOM 0 HD13 LEU A 132 1.117 -5.657 -1.749 1.00 0.05 H new ATOM 0 HD21 LEU A 132 -0.311 -7.278 -3.953 1.00 0.05 H new ATOM 0 HD22 LEU A 132 0.717 -8.004 -2.694 1.00 0.05 H new ATOM 0 HD23 LEU A 132 -0.959 -8.562 -2.906 1.00 0.05 H new ATOM 2142 N SER A 133 -3.193 -8.870 -0.025 1.00 0.05 N ATOM 2143 CA SER A 133 -4.326 -9.686 -0.446 1.00 0.05 C ATOM 2144 C SER A 133 -5.507 -9.541 0.502 1.00 0.05 C ATOM 2145 O SER A 133 -6.635 -9.836 0.130 1.00 0.05 O ATOM 2146 CB SER A 133 -3.913 -11.149 -0.562 1.00 0.05 C ATOM 2147 OG SER A 133 -3.449 -11.652 0.679 1.00 0.05 O ATOM 0 H SER A 133 -2.409 -9.401 0.355 1.00 0.05 H new ATOM 0 HA SER A 133 -4.644 -9.329 -1.425 1.00 0.05 H new ATOM 0 HB2 SER A 133 -4.761 -11.743 -0.904 1.00 0.05 H new ATOM 0 HB3 SER A 133 -3.130 -11.250 -1.314 1.00 0.05 H new ATOM 0 HG SER A 133 -2.575 -11.259 0.885 1.00 0.05 H new ATOM 2153 N ALA A 134 -5.250 -9.095 1.725 1.00 0.03 N ATOM 2154 CA ALA A 134 -6.323 -8.906 2.697 1.00 0.03 C ATOM 2155 C ALA A 134 -7.161 -7.688 2.332 1.00 0.03 C ATOM 2156 O ALA A 134 -8.360 -7.636 2.605 1.00 0.03 O ATOM 2157 CB ALA A 134 -5.756 -8.767 4.096 1.00 0.03 C ATOM 0 H ALA A 134 -4.318 -8.859 2.067 1.00 0.03 H new ATOM 0 HA ALA A 134 -6.967 -9.785 2.677 1.00 0.03 H new ATOM 0 HB1 ALA A 134 -6.571 -8.627 4.807 1.00 0.03 H new ATOM 0 HB2 ALA A 134 -5.200 -9.668 4.354 1.00 0.03 H new ATOM 0 HB3 ALA A 134 -5.089 -7.906 4.134 1.00 0.03 H new ATOM 2163 N PHE A 135 -6.516 -6.705 1.719 1.00 0.01 N ATOM 2164 CA PHE A 135 -7.200 -5.495 1.288 1.00 0.01 C ATOM 2165 C PHE A 135 -7.912 -5.770 -0.025 1.00 0.01 C ATOM 2166 O PHE A 135 -9.012 -5.282 -0.275 1.00 0.01 O ATOM 2167 CB PHE A 135 -6.195 -4.353 1.118 1.00 0.01 C ATOM 2168 CG PHE A 135 -6.818 -3.012 0.896 1.00 0.01 C ATOM 2169 CD1 PHE A 135 -7.314 -2.273 1.959 1.00 0.01 C ATOM 2170 CD2 PHE A 135 -6.882 -2.479 -0.377 1.00 0.01 C ATOM 2171 CE1 PHE A 135 -7.867 -1.024 1.750 1.00 0.01 C ATOM 2172 CE2 PHE A 135 -7.427 -1.234 -0.594 1.00 0.01 C ATOM 2173 CZ PHE A 135 -7.921 -0.504 0.470 1.00 0.01 C ATOM 0 H PHE A 135 -5.518 -6.723 1.509 1.00 0.01 H new ATOM 0 HA PHE A 135 -7.930 -5.199 2.042 1.00 0.01 H new ATOM 0 HB2 PHE A 135 -5.564 -4.305 2.006 1.00 0.01 H new ATOM 0 HB3 PHE A 135 -5.543 -4.581 0.275 1.00 0.01 H new ATOM 0 HD1 PHE A 135 -7.268 -2.677 2.959 1.00 0.01 H new ATOM 0 HD2 PHE A 135 -6.499 -3.047 -1.212 1.00 0.01 H new ATOM 0 HE1 PHE A 135 -8.255 -0.457 2.583 1.00 0.01 H new ATOM 0 HE2 PHE A 135 -7.468 -0.828 -1.594 1.00 0.01 H new ATOM 0 HZ PHE A 135 -8.349 0.473 0.302 1.00 0.01 H new ATOM 2183 N ILE A 136 -7.265 -6.576 -0.851 1.00 0.02 N ATOM 2184 CA ILE A 136 -7.797 -6.965 -2.139 1.00 0.02 C ATOM 2185 C ILE A 136 -8.990 -7.897 -1.947 1.00 0.02 C ATOM 2186 O ILE A 136 -9.938 -7.901 -2.733 1.00 0.02 O ATOM 2187 CB ILE A 136 -6.694 -7.695 -2.941 1.00 0.02 C ATOM 2188 CG1 ILE A 136 -6.297 -6.900 -4.176 1.00 0.02 C ATOM 2189 CG2 ILE A 136 -7.110 -9.108 -3.312 1.00 0.02 C ATOM 2190 CD1 ILE A 136 -4.924 -6.289 -4.046 1.00 0.02 C ATOM 0 H ILE A 136 -6.351 -6.979 -0.642 1.00 0.02 H new ATOM 0 HA ILE A 136 -8.123 -6.078 -2.682 1.00 0.02 H new ATOM 0 HB ILE A 136 -5.820 -7.772 -2.294 1.00 0.02 H new ATOM 0 HG12 ILE A 136 -6.321 -7.553 -5.049 1.00 0.02 H new ATOM 0 HG13 ILE A 136 -7.029 -6.111 -4.348 1.00 0.02 H new ATOM 0 HG21 ILE A 136 -6.309 -9.587 -3.874 1.00 0.02 H new ATOM 0 HG22 ILE A 136 -7.309 -9.679 -2.405 1.00 0.02 H new ATOM 0 HG23 ILE A 136 -8.012 -9.073 -3.923 1.00 0.02 H new ATOM 0 HD11 ILE A 136 -4.686 -5.732 -4.952 1.00 0.02 H new ATOM 0 HD12 ILE A 136 -4.906 -5.614 -3.190 1.00 0.02 H new ATOM 0 HD13 ILE A 136 -4.187 -7.079 -3.902 1.00 0.02 H new ATOM 2202 N ALA A 137 -8.916 -8.677 -0.876 1.00 0.03 N ATOM 2203 CA ALA A 137 -9.934 -9.661 -0.542 1.00 0.03 C ATOM 2204 C ALA A 137 -11.078 -9.071 0.270 1.00 0.03 C ATOM 2205 O ALA A 137 -12.241 -9.144 -0.125 1.00 0.03 O ATOM 2206 CB ALA A 137 -9.288 -10.786 0.249 1.00 0.03 C ATOM 0 H ALA A 137 -8.143 -8.643 -0.212 1.00 0.03 H new ATOM 0 HA ALA A 137 -10.357 -10.028 -1.477 1.00 0.03 H new ATOM 0 HB1 ALA A 137 -10.042 -11.530 0.505 1.00 0.03 H new ATOM 0 HB2 ALA A 137 -8.508 -11.252 -0.352 1.00 0.03 H new ATOM 0 HB3 ALA A 137 -8.850 -10.384 1.163 1.00 0.03 H new ATOM 2212 N ASP A 138 -10.731 -8.488 1.407 1.00 0.02 N ATOM 2213 CA ASP A 138 -11.719 -7.928 2.314 1.00 0.02 C ATOM 2214 C ASP A 138 -11.919 -6.434 2.108 1.00 0.02 C ATOM 2215 O ASP A 138 -13.034 -5.926 2.231 1.00 0.02 O ATOM 2216 CB ASP A 138 -11.296 -8.219 3.747 1.00 0.02 C ATOM 2217 CG ASP A 138 -11.481 -9.678 4.117 1.00 0.02 C ATOM 2218 OD1 ASP A 138 -12.353 -10.339 3.514 1.00 0.02 O ATOM 2219 OD2 ASP A 138 -10.751 -10.162 5.007 1.00 0.02 O ATOM 0 H ASP A 138 -9.767 -8.390 1.724 1.00 0.02 H new ATOM 0 HA ASP A 138 -12.679 -8.399 2.103 1.00 0.02 H new ATOM 0 HB2 ASP A 138 -10.250 -7.943 3.878 1.00 0.02 H new ATOM 0 HB3 ASP A 138 -11.877 -7.597 4.428 1.00 0.02 H new ATOM 2224 N GLY A 139 -10.840 -5.738 1.790 1.00 0.10 N ATOM 2225 CA GLY A 139 -10.921 -4.304 1.577 1.00 0.10 C ATOM 2226 C GLY A 139 -11.464 -3.559 2.781 1.00 0.10 C ATOM 2227 O GLY A 139 -11.754 -2.366 2.695 1.00 0.10 O ATOM 0 H GLY A 139 -9.908 -6.137 1.675 1.00 0.10 H new ATOM 0 HA2 GLY A 139 -9.929 -3.921 1.336 1.00 0.10 H new ATOM 0 HA3 GLY A 139 -11.558 -4.105 0.715 1.00 0.10 H new ATOM 2231 N GLY A 140 -11.606 -4.261 3.903 1.00 0.03 N ATOM 2232 CA GLY A 140 -12.113 -3.635 5.111 1.00 0.03 C ATOM 2233 C GLY A 140 -13.418 -4.243 5.594 1.00 0.03 C ATOM 2234 O GLY A 140 -14.444 -4.138 4.923 1.00 0.03 O ATOM 0 H GLY A 140 -11.379 -5.251 3.996 1.00 0.03 H new ATOM 0 HA2 GLY A 140 -11.365 -3.721 5.899 1.00 0.03 H new ATOM 0 HA3 GLY A 140 -12.261 -2.571 4.927 1.00 0.03 H new ATOM 2238 N ARG A 141 -13.371 -4.874 6.766 1.00 0.03 N ATOM 2239 CA ARG A 141 -14.538 -5.494 7.369 1.00 0.03 C ATOM 2240 C ARG A 141 -15.250 -6.423 6.397 1.00 0.03 C ATOM 2241 O ARG A 141 -16.108 -5.998 5.624 1.00 0.03 O ATOM 2242 CB ARG A 141 -15.483 -4.415 7.873 1.00 0.03 C ATOM 2243 CG ARG A 141 -15.158 -3.946 9.280 1.00 0.03 C ATOM 2244 CD ARG A 141 -13.775 -3.320 9.355 1.00 0.03 C ATOM 2245 NE ARG A 141 -13.547 -2.643 10.629 1.00 0.03 N ATOM 2246 CZ ARG A 141 -12.718 -1.614 10.781 1.00 0.03 C ATOM 2247 NH1 ARG A 141 -12.047 -1.138 9.741 1.00 0.03 N ATOM 2248 NH2 ARG A 141 -12.563 -1.058 11.975 1.00 0.03 N ATOM 0 H ARG A 141 -12.520 -4.967 7.320 1.00 0.03 H new ATOM 0 HA ARG A 141 -14.206 -6.105 8.208 1.00 0.03 H new ATOM 0 HB2 ARG A 141 -15.446 -3.562 7.195 1.00 0.03 H new ATOM 0 HB3 ARG A 141 -16.504 -4.796 7.850 1.00 0.03 H new ATOM 0 HG2 ARG A 141 -15.904 -3.221 9.604 1.00 0.03 H new ATOM 0 HG3 ARG A 141 -15.214 -4.790 9.968 1.00 0.03 H new ATOM 0 HD2 ARG A 141 -13.019 -4.093 9.215 1.00 0.03 H new ATOM 0 HD3 ARG A 141 -13.656 -2.607 8.539 1.00 0.03 H new ATOM 0 HE ARG A 141 -14.052 -2.979 11.449 1.00 0.03 H new ATOM 0 HH11 ARG A 141 -12.166 -1.561 8.821 1.00 0.03 H new ATOM 0 HH12 ARG A 141 -11.412 -0.349 9.862 1.00 0.03 H new ATOM 0 HH21 ARG A 141 -13.080 -1.419 12.777 1.00 0.03 H new ATOM 0 HH22 ARG A 141 -11.927 -0.269 12.091 1.00 0.03 H new ATOM 2262 N TYR A 142 -14.889 -7.699 6.452 1.00 0.03 N ATOM 2263 CA TYR A 142 -15.481 -8.696 5.583 1.00 0.03 C ATOM 2264 C TYR A 142 -16.917 -9.004 6.001 1.00 0.03 C ATOM 2265 O TYR A 142 -17.466 -8.354 6.891 1.00 0.03 O ATOM 2266 CB TYR A 142 -14.640 -9.969 5.608 1.00 0.03 C ATOM 2267 CG TYR A 142 -14.416 -10.529 6.994 1.00 0.03 C ATOM 2268 CD1 TYR A 142 -13.344 -10.106 7.771 1.00 0.03 C ATOM 2269 CD2 TYR A 142 -15.273 -11.483 7.525 1.00 0.03 C ATOM 2270 CE1 TYR A 142 -13.134 -10.618 9.037 1.00 0.03 C ATOM 2271 CE2 TYR A 142 -15.071 -12.000 8.790 1.00 0.03 C ATOM 2272 CZ TYR A 142 -14.000 -11.565 9.541 1.00 0.03 C ATOM 2273 OH TYR A 142 -13.794 -12.077 10.802 1.00 0.03 O ATOM 0 H TYR A 142 -14.186 -8.064 7.094 1.00 0.03 H new ATOM 0 HA TYR A 142 -15.503 -8.299 4.568 1.00 0.03 H new ATOM 0 HB2 TYR A 142 -15.128 -10.727 4.995 1.00 0.03 H new ATOM 0 HB3 TYR A 142 -13.673 -9.763 5.150 1.00 0.03 H new ATOM 0 HD1 TYR A 142 -12.664 -9.365 7.379 1.00 0.03 H new ATOM 0 HD2 TYR A 142 -16.112 -11.827 6.939 1.00 0.03 H new ATOM 0 HE1 TYR A 142 -12.296 -10.278 9.628 1.00 0.03 H new ATOM 0 HE2 TYR A 142 -15.748 -12.741 9.188 1.00 0.03 H new ATOM 0 HH TYR A 142 -14.493 -12.732 11.007 1.00 0.03 H new ATOM 2283 N CYS A 143 -17.519 -10.002 5.355 1.00 0.03 N ATOM 2284 CA CYS A 143 -18.893 -10.391 5.658 1.00 0.03 C ATOM 2285 C CYS A 143 -19.270 -11.672 4.925 1.00 0.03 C ATOM 2286 O CYS A 143 -20.449 -12.001 4.791 1.00 0.03 O ATOM 2287 CB CYS A 143 -19.850 -9.273 5.264 1.00 0.03 C ATOM 2288 SG CYS A 143 -21.455 -9.340 6.094 1.00 0.03 S ATOM 0 H CYS A 143 -17.077 -10.554 4.620 1.00 0.03 H new ATOM 0 HA CYS A 143 -18.967 -10.571 6.730 1.00 0.03 H new ATOM 0 HB2 CYS A 143 -19.380 -8.314 5.484 1.00 0.03 H new ATOM 0 HB3 CYS A 143 -20.010 -9.310 4.186 1.00 0.03 H new ATOM 0 HG CYS A 143 -22.193 -8.348 5.693 1.00 0.03 H new ATOM 2294 N LEU A 144 -18.260 -12.388 4.453 1.00 0.01 N ATOM 2295 CA LEU A 144 -18.478 -13.636 3.725 1.00 0.01 C ATOM 2296 C LEU A 144 -18.669 -14.811 4.689 1.00 0.01 C ATOM 2297 O LEU A 144 -19.665 -15.529 4.599 1.00 0.01 O ATOM 2298 CB LEU A 144 -17.315 -13.934 2.766 1.00 0.01 C ATOM 2299 CG LEU A 144 -16.766 -12.742 1.968 1.00 0.01 C ATOM 2300 CD1 LEU A 144 -17.893 -11.857 1.453 1.00 0.01 C ATOM 2301 CD2 LEU A 144 -15.787 -11.938 2.813 1.00 0.01 C ATOM 0 H LEU A 144 -17.279 -12.128 4.560 1.00 0.01 H new ATOM 0 HA LEU A 144 -19.388 -13.511 3.139 1.00 0.01 H new ATOM 0 HB2 LEU A 144 -16.497 -14.364 3.344 1.00 0.01 H new ATOM 0 HB3 LEU A 144 -17.642 -14.697 2.059 1.00 0.01 H new ATOM 0 HG LEU A 144 -16.232 -13.134 1.103 1.00 0.01 H new ATOM 0 HD11 LEU A 144 -17.473 -11.022 0.892 1.00 0.01 H new ATOM 0 HD12 LEU A 144 -18.545 -12.440 0.802 1.00 0.01 H new ATOM 0 HD13 LEU A 144 -18.469 -11.475 2.295 1.00 0.01 H new ATOM 0 HD21 LEU A 144 -15.409 -11.098 2.231 1.00 0.01 H new ATOM 0 HD22 LEU A 144 -16.295 -11.564 3.702 1.00 0.01 H new ATOM 0 HD23 LEU A 144 -14.955 -12.576 3.112 1.00 0.01 H new ATOM 2313 N PRO A 145 -17.720 -15.032 5.628 1.00 0.00 N ATOM 2314 CA PRO A 145 -17.807 -16.126 6.593 1.00 0.00 C ATOM 2315 C PRO A 145 -18.713 -15.783 7.770 1.00 0.00 C ATOM 2316 O PRO A 145 -18.898 -14.611 8.098 1.00 0.00 O ATOM 2317 CB PRO A 145 -16.358 -16.314 7.075 1.00 0.00 C ATOM 2318 CG PRO A 145 -15.540 -15.265 6.382 1.00 0.00 C ATOM 2319 CD PRO A 145 -16.500 -14.247 5.840 1.00 0.00 C ATOM 0 HA PRO A 145 -18.236 -17.023 6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -16.292 -16.205 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -15.995 -17.313 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -14.838 -14.802 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.950 -15.705 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -16.662 -13.429 6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -16.138 -13.803 4.912 1.00 0.00 H new ATOM 2327 N GLU A 146 -19.270 -16.813 8.403 1.00 0.00 N ATOM 2328 CA GLU A 146 -20.157 -16.628 9.547 1.00 0.00 C ATOM 2329 C GLU A 146 -21.322 -15.702 9.198 1.00 0.00 C ATOM 2330 O GLU A 146 -21.208 -14.481 9.307 1.00 0.00 O ATOM 2331 CB GLU A 146 -19.374 -16.063 10.734 1.00 0.00 C ATOM 2332 CG GLU A 146 -20.197 -15.937 12.006 1.00 0.00 C ATOM 2333 CD GLU A 146 -19.388 -15.401 13.172 1.00 0.00 C ATOM 2334 OE1 GLU A 146 -18.763 -16.213 13.885 1.00 0.00 O ATOM 2335 OE2 GLU A 146 -19.381 -14.168 13.373 1.00 0.00 O ATOM 0 H GLU A 146 -19.121 -17.788 8.141 1.00 0.00 H new ATOM 0 HA GLU A 146 -20.567 -17.601 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -18.515 -16.705 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -18.984 -15.081 10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -21.045 -15.277 11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -20.605 -16.913 12.269 1.00 0.00 H new ATOM 2342 N PRO A 147 -22.465 -16.275 8.775 1.00 0.00 N ATOM 2343 CA PRO A 147 -23.647 -15.505 8.408 1.00 0.00 C ATOM 2344 C PRO A 147 -24.559 -15.231 9.600 1.00 0.00 C ATOM 2345 O PRO A 147 -24.236 -15.584 10.734 1.00 0.00 O ATOM 2346 CB PRO A 147 -24.330 -16.422 7.408 1.00 0.00 C ATOM 2347 CG PRO A 147 -24.023 -17.801 7.891 1.00 0.00 C ATOM 2348 CD PRO A 147 -22.700 -17.724 8.621 1.00 0.00 C ATOM 0 HA PRO A 147 -23.402 -14.517 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 147 -25.405 -16.243 7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 147 -23.950 -16.262 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 147 -24.810 -18.163 8.553 1.00 0.00 H new ATOM 0 HG3 PRO A 147 -23.964 -18.499 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 147 -22.747 -18.226 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 147 -21.901 -18.200 8.052 1.00 0.00 H new ATOM 2356 N LEU A 148 -25.699 -14.602 9.334 1.00 0.00 N ATOM 2357 CA LEU A 148 -26.657 -14.279 10.385 1.00 0.00 C ATOM 2358 C LEU A 148 -27.352 -15.538 10.895 1.00 0.00 C ATOM 2359 O LEU A 148 -28.338 -15.969 10.259 1.00 0.00 O ATOM 2360 CB LEU A 148 -27.695 -13.280 9.868 1.00 0.00 C ATOM 2361 CG LEU A 148 -28.713 -12.800 10.906 1.00 0.00 C ATOM 2362 CD1 LEU A 148 -28.013 -12.098 12.060 1.00 0.00 C ATOM 2363 CD2 LEU A 148 -29.734 -11.877 10.260 1.00 0.00 C ATOM 2364 OXT LEU A 148 -26.906 -16.082 11.927 1.00 0.00 O ATOM 0 H LEU A 148 -25.982 -14.306 8.400 1.00 0.00 H new ATOM 0 HA LEU A 148 -26.111 -13.828 11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -27.172 -12.412 9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -28.234 -13.738 9.039 1.00 0.00 H new ATOM 0 HG LEU A 148 -29.236 -13.670 11.303 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -28.754 -11.765 12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -27.320 -12.789 12.540 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -27.463 -11.236 11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -30.451 -11.545 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -29.225 -11.011 9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -30.259 -12.412 9.469 1.00 0.00 H new TER 2376 LEU A 148 HETATM 2377 N1 FMN A 149 3.883 10.709 -0.494 1.00 35.81 N HETATM 2378 C2 FMN A 149 4.952 9.848 -0.545 1.00 36.65 C HETATM 2379 O2 FMN A 149 6.088 10.206 -0.689 1.00 38.20 O HETATM 2380 N3 FMN A 149 4.719 8.429 -0.423 1.00 36.21 N HETATM 2381 C4 FMN A 149 3.492 7.865 -0.256 1.00 36.48 C HETATM 2382 O4 FMN A 149 3.384 6.637 -0.157 1.00 35.01 O HETATM 2383 C4A FMN A 149 2.346 8.783 -0.206 1.00 37.63 C HETATM 2384 N5 FMN A 149 1.109 8.318 -0.052 1.00 37.50 N HETATM 2385 C5A FMN A 149 0.060 9.202 -0.012 1.00 37.24 C HETATM 2386 C6 FMN A 149 -1.304 8.692 0.154 1.00 36.34 C HETATM 2387 C7 FMN A 149 -2.402 9.509 0.204 1.00 34.82 C HETATM 2388 C7M FMN A 149 -3.830 8.952 0.379 1.00 36.54 C HETATM 2389 C8 FMN A 149 -2.219 10.985 0.089 1.00 34.02 C HETATM 2390 C8M FMN A 149 -3.386 11.933 0.138 1.00 36.26 C HETATM 2391 C9 FMN A 149 -0.918 11.487 -0.073 1.00 36.07 C HETATM 2392 C9A FMN A 149 0.221 10.656 -0.126 1.00 36.13 C HETATM 2393 N10 FMN A 149 1.568 11.112 -0.289 1.00 36.86 N HETATM 2394 C10 FMN A 149 2.647 10.242 -0.338 1.00 37.11 C HETATM 2395 C1' FMN A 149 1.857 12.560 -0.413 1.00 34.00 C HETATM 2396 C2' FMN A 149 1.731 13.035 -1.861 1.00 31.39 C HETATM 2397 O2' FMN A 149 2.662 12.317 -2.662 1.00 29.45 O HETATM 2398 C3' FMN A 149 1.832 14.532 -2.063 1.00 29.29 C HETATM 2399 O3' FMN A 149 2.832 15.036 -1.184 1.00 28.30 O HETATM 2400 C4' FMN A 149 0.524 15.297 -1.963 1.00 29.96 C HETATM 2401 O4' FMN A 149 -0.385 14.757 -2.915 1.00 31.47 O HETATM 2402 C5' FMN A 149 0.604 16.813 -2.051 1.00 29.17 C HETATM 2403 O5' FMN A 149 1.964 17.254 -2.219 1.00 32.10 O HETATM 2404 P FMN A 149 2.351 18.784 -2.214 1.00 34.33 P HETATM 2405 O1P FMN A 149 1.925 19.356 -0.884 1.00 32.34 O HETATM 2406 O2P FMN A 149 1.716 19.441 -3.404 1.00 30.92 O HETATM 2407 O3P FMN A 149 3.922 18.760 -2.294 1.00 30.70 O HETATM 0 HO4' FMN A 149 -1.237 15.238 -2.863 1.00 31.47 H new HETATM 0 HO3' FMN A 149 2.922 16.003 -1.312 1.00 28.30 H new HETATM 0 HO2' FMN A 149 3.275 11.818 -2.083 1.00 29.45 H new HETATM 0 HM83 FMN A 149 -4.073 11.706 -0.677 1.00 36.26 H new HETATM 0 HM82 FMN A 149 -3.904 11.823 1.091 1.00 36.26 H new HETATM 0 HM81 FMN A 149 -3.027 12.957 0.036 1.00 36.26 H new HETATM 0 HM73 FMN A 149 -4.064 8.283 -0.449 1.00 36.54 H new HETATM 0 HM72 FMN A 149 -3.894 8.403 1.318 1.00 36.54 H new HETATM 0 HM71 FMN A 149 -4.543 9.776 0.392 1.00 36.54 H new HETATM 0 H5'2 FMN A 149 -0.001 17.164 -2.887 1.00 29.17 H new HETATM 0 H5'1 FMN A 149 0.185 17.255 -1.147 1.00 29.17 H new HETATM 0 H1'2 FMN A 149 1.170 13.124 0.217 1.00 34.00 H new HETATM 0 H1'1 FMN A 149 2.864 12.764 -0.049 1.00 34.00 H new HETATM 0 HN3 FMN A 149 5.527 7.808 -0.465 1.00 36.21 H new HETATM 0 H9 FMN A 149 -0.782 12.565 -0.162 1.00 36.07 H new HETATM 0 H6 FMN A 149 -1.451 7.615 0.241 1.00 36.34 H new HETATM 0 H4' FMN A 149 0.170 15.151 -0.943 1.00 29.96 H new HETATM 0 H3' FMN A 149 2.119 14.699 -3.101 1.00 29.29 H new HETATM 0 H2' FMN A 149 0.712 12.815 -2.179 1.00 31.39 H new