USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= 0.252 X(o=0.53,f=0.18) USER MOD Set 1.2: A 35 SER OG : rot 48:sc= 0.275 USER MOD Single : A 1 GLY N :NH3+ 151:sc= -0.663 (180deg=-0.939!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.58) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.49 F(o=-2!,f=-1.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc=-0.00045 (180deg=-0.0679) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.314 USER MOD Single : A 40 ASN : amide:sc= -0.0372 K(o=-0.037,f=-4.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.172 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0077) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0.41 (180deg=0.41) USER MOD Single : A 53 SER OG : rot -52:sc= 0.322 USER MOD Single : A 54 ASN : amide:sc= 0.278 K(o=0.28,f=-2.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -62:sc= 0.884 USER MOD Single : A 62 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.6) USER MOD Single : A 74 MET CE :methyl 164:sc= -0.054 (180deg=-0.936) USER MOD Single : A 75 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-5.5!) USER MOD Single : A 76 SER OG : rot 37:sc= 0.258 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 79 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.0017) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00699) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -99:sc= -1.13 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.48 K(o=0.48,f=-0.17) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00786) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 28:sc= 0.531 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.616 13.543 3.848 1.00 9.89 N ATOM 2 CA GLY A 1 -8.607 12.509 4.891 1.00 10.30 C ATOM 3 C GLY A 1 -9.859 12.613 5.741 1.00 10.61 C ATOM 4 O GLY A 1 -10.878 12.039 5.377 1.00 10.97 O ATOM 0 H1 GLY A 1 -7.638 13.802 3.607 1.00 9.89 H new ATOM 0 H2 GLY A 1 -9.096 13.177 3.001 1.00 9.89 H new ATOM 0 H3 GLY A 1 -9.120 14.383 4.196 1.00 9.89 H new ATOM 0 HA2 GLY A 1 -8.550 11.521 4.434 1.00 10.30 H new ATOM 0 HA3 GLY A 1 -7.722 12.622 5.518 1.00 10.30 H new ATOM 10 N SER A 2 -9.811 13.344 6.861 1.00 10.95 N ATOM 11 CA SER A 2 -10.975 13.491 7.732 1.00 11.77 C ATOM 12 C SER A 2 -11.881 14.631 7.272 1.00 12.07 C ATOM 13 O SER A 2 -13.025 14.398 6.898 1.00 12.60 O ATOM 14 CB SER A 2 -10.526 13.732 9.172 1.00 12.33 C ATOM 15 OG SER A 2 -9.872 12.589 9.673 1.00 12.56 O ATOM 0 H SER A 2 -8.980 13.840 7.182 1.00 10.95 H new ATOM 0 HA SER A 2 -11.548 12.565 7.680 1.00 11.77 H new ATOM 0 HB2 SER A 2 -9.856 14.591 9.213 1.00 12.33 H new ATOM 0 HB3 SER A 2 -11.388 13.970 9.795 1.00 12.33 H new ATOM 0 HG SER A 2 -9.586 12.754 10.596 1.00 12.56 H new ATOM 21 N LYS A 3 -11.413 15.879 7.370 1.00 11.98 N ATOM 22 CA LYS A 3 -12.215 17.046 7.035 1.00 12.51 C ATOM 23 C LYS A 3 -11.264 18.196 6.733 1.00 12.08 C ATOM 24 O LYS A 3 -10.265 18.344 7.433 1.00 11.83 O ATOM 25 CB LYS A 3 -13.162 17.387 8.201 1.00 13.72 C ATOM 26 CG LYS A 3 -12.416 17.892 9.448 1.00 13.91 C ATOM 27 CD LYS A 3 -13.214 17.701 10.741 1.00 15.04 C ATOM 28 CE LYS A 3 -13.251 16.211 11.103 1.00 15.18 C ATOM 29 NZ LYS A 3 -13.667 15.987 12.505 1.00 16.09 N ATOM 0 H LYS A 3 -10.468 16.102 7.684 1.00 11.98 H new ATOM 0 HA LYS A 3 -12.837 16.852 6.161 1.00 12.51 H new ATOM 0 HB2 LYS A 3 -13.872 18.147 7.876 1.00 13.72 H new ATOM 0 HB3 LYS A 3 -13.741 16.502 8.464 1.00 13.72 H new ATOM 0 HG2 LYS A 3 -11.465 17.366 9.533 1.00 13.91 H new ATOM 0 HG3 LYS A 3 -12.185 18.950 9.323 1.00 13.91 H new ATOM 0 HD2 LYS A 3 -12.758 18.272 11.550 1.00 15.04 H new ATOM 0 HD3 LYS A 3 -14.228 18.081 10.615 1.00 15.04 H new ATOM 0 HE2 LYS A 3 -13.939 15.693 10.435 1.00 15.18 H new ATOM 0 HE3 LYS A 3 -12.264 15.776 10.945 1.00 15.18 H new ATOM 0 HZ1 LYS A 3 -13.678 14.966 12.705 1.00 16.09 H new ATOM 0 HZ2 LYS A 3 -12.997 16.458 13.146 1.00 16.09 H new ATOM 0 HZ3 LYS A 3 -14.619 16.378 12.651 1.00 16.09 H new ATOM 43 N GLY A 4 -11.565 19.006 5.723 1.00 12.23 N ATOM 44 CA GLY A 4 -10.730 20.130 5.341 1.00 11.94 C ATOM 45 C GLY A 4 -11.006 20.489 3.894 1.00 11.50 C ATOM 46 O GLY A 4 -11.848 19.860 3.253 1.00 11.58 O ATOM 0 H GLY A 4 -12.399 18.897 5.147 1.00 12.23 H new ATOM 0 HA2 GLY A 4 -10.934 20.985 5.985 1.00 11.94 H new ATOM 0 HA3 GLY A 4 -9.678 19.877 5.471 1.00 11.94 H new ATOM 50 N VAL A 5 -10.288 21.483 3.378 1.00 11.26 N ATOM 51 CA VAL A 5 -10.072 21.600 1.957 1.00 10.79 C ATOM 52 C VAL A 5 -8.775 20.863 1.637 1.00 9.09 C ATOM 53 O VAL A 5 -8.288 20.093 2.462 1.00 8.38 O ATOM 54 CB VAL A 5 -10.023 23.076 1.560 1.00 11.63 C ATOM 55 CG1 VAL A 5 -11.365 23.742 1.874 1.00 13.31 C ATOM 56 CG2 VAL A 5 -8.908 23.882 2.236 1.00 11.42 C ATOM 0 H VAL A 5 -9.848 22.217 3.934 1.00 11.26 H new ATOM 0 HA VAL A 5 -10.885 21.155 1.384 1.00 10.79 H new ATOM 0 HB VAL A 5 -9.809 23.081 0.491 1.00 11.63 H new ATOM 0 HG11 VAL A 5 -11.325 24.793 1.589 1.00 13.31 H new ATOM 0 HG12 VAL A 5 -12.158 23.245 1.315 1.00 13.31 H new ATOM 0 HG13 VAL A 5 -11.570 23.663 2.942 1.00 13.31 H new ATOM 0 HG21 VAL A 5 -8.949 24.917 1.896 1.00 11.42 H new ATOM 0 HG22 VAL A 5 -9.040 23.850 3.317 1.00 11.42 H new ATOM 0 HG23 VAL A 5 -7.940 23.453 1.976 1.00 11.42 H new ATOM 66 N GLU A 6 -8.193 21.089 0.461 1.00 8.61 N ATOM 67 CA GLU A 6 -6.932 20.468 0.134 1.00 7.10 C ATOM 68 C GLU A 6 -5.758 21.251 0.711 1.00 6.50 C ATOM 69 O GLU A 6 -5.600 22.444 0.474 1.00 7.20 O ATOM 70 CB GLU A 6 -6.814 20.280 -1.383 1.00 7.30 C ATOM 71 CG GLU A 6 -7.063 21.547 -2.215 1.00 8.47 C ATOM 72 CD GLU A 6 -6.544 21.359 -3.640 1.00 8.87 C ATOM 73 OE1 GLU A 6 -5.341 21.629 -3.850 1.00 8.81 O ATOM 74 OE2 GLU A 6 -7.350 20.923 -4.492 1.00 9.67 O ATOM 0 H GLU A 6 -8.577 21.692 -0.267 1.00 8.61 H new ATOM 0 HA GLU A 6 -6.900 19.481 0.596 1.00 7.10 H new ATOM 0 HB2 GLU A 6 -5.817 19.904 -1.611 1.00 7.30 H new ATOM 0 HB3 GLU A 6 -7.523 19.513 -1.695 1.00 7.30 H new ATOM 0 HG2 GLU A 6 -8.129 21.772 -2.236 1.00 8.47 H new ATOM 0 HG3 GLU A 6 -6.567 22.399 -1.750 1.00 8.47 H new ATOM 81 N LEU A 7 -4.925 20.560 1.493 1.00 5.52 N ATOM 82 CA LEU A 7 -3.809 21.156 2.209 1.00 5.29 C ATOM 83 C LEU A 7 -2.526 20.414 1.861 1.00 3.83 C ATOM 84 O LEU A 7 -1.608 20.342 2.674 1.00 4.08 O ATOM 85 CB LEU A 7 -4.067 21.042 3.719 1.00 6.55 C ATOM 86 CG LEU A 7 -5.549 21.176 4.108 1.00 7.79 C ATOM 87 CD1 LEU A 7 -5.783 20.617 5.493 1.00 8.75 C ATOM 88 CD2 LEU A 7 -6.050 22.607 3.980 1.00 8.14 C ATOM 0 H LEU A 7 -5.014 19.555 1.645 1.00 5.52 H new ATOM 0 HA LEU A 7 -3.709 22.204 1.927 1.00 5.29 H new ATOM 0 HB2 LEU A 7 -3.695 20.080 4.070 1.00 6.55 H new ATOM 0 HB3 LEU A 7 -3.495 21.813 4.235 1.00 6.55 H new ATOM 0 HG LEU A 7 -6.134 20.586 3.402 1.00 7.79 H new ATOM 0 HD11 LEU A 7 -6.836 20.719 5.753 1.00 8.75 H new ATOM 0 HD12 LEU A 7 -5.505 19.563 5.512 1.00 8.75 H new ATOM 0 HD13 LEU A 7 -5.176 21.165 6.214 1.00 8.75 H new ATOM 0 HD21 LEU A 7 -7.101 22.651 4.265 1.00 8.14 H new ATOM 0 HD22 LEU A 7 -5.468 23.256 4.635 1.00 8.14 H new ATOM 0 HD23 LEU A 7 -5.940 22.940 2.948 1.00 8.14 H new ATOM 100 N ARG A 8 -2.493 19.791 0.680 1.00 2.83 N ATOM 101 CA ARG A 8 -1.553 18.734 0.317 1.00 1.88 C ATOM 102 C ARG A 8 -1.803 17.491 1.164 1.00 1.54 C ATOM 103 O ARG A 8 -2.330 16.509 0.650 1.00 1.33 O ATOM 104 CB ARG A 8 -0.096 19.216 0.353 1.00 2.35 C ATOM 105 CG ARG A 8 0.034 20.610 -0.275 1.00 2.92 C ATOM 106 CD ARG A 8 1.475 20.887 -0.685 1.00 3.71 C ATOM 107 NE ARG A 8 1.844 20.072 -1.855 1.00 4.33 N ATOM 108 CZ ARG A 8 2.910 20.254 -2.641 1.00 5.52 C ATOM 109 NH1 ARG A 8 3.796 21.209 -2.359 1.00 6.10 N ATOM 110 NH2 ARG A 8 3.081 19.478 -3.712 1.00 6.57 N ATOM 0 H ARG A 8 -3.143 20.018 -0.073 1.00 2.83 H new ATOM 0 HA ARG A 8 -1.731 18.455 -0.722 1.00 1.88 H new ATOM 0 HB2 ARG A 8 0.257 19.243 1.384 1.00 2.35 H new ATOM 0 HB3 ARG A 8 0.538 18.510 -0.183 1.00 2.35 H new ATOM 0 HG2 ARG A 8 -0.617 20.683 -1.146 1.00 2.92 H new ATOM 0 HG3 ARG A 8 -0.298 21.366 0.436 1.00 2.92 H new ATOM 0 HD2 ARG A 8 1.596 21.945 -0.918 1.00 3.71 H new ATOM 0 HD3 ARG A 8 2.145 20.665 0.146 1.00 3.71 H new ATOM 0 HE ARG A 8 1.227 19.294 -2.088 1.00 4.33 H new ATOM 0 HH11 ARG A 8 3.662 21.804 -1.541 1.00 6.10 H new ATOM 0 HH12 ARG A 8 4.608 21.345 -2.961 1.00 6.10 H new ATOM 0 HH21 ARG A 8 2.400 18.750 -3.928 1.00 6.57 H new ATOM 0 HH22 ARG A 8 3.893 19.613 -4.315 1.00 6.57 H new ATOM 124 N ASN A 9 -1.506 17.548 2.463 1.00 1.55 N ATOM 125 CA ASN A 9 -1.748 16.457 3.398 1.00 1.41 C ATOM 126 C ASN A 9 -3.157 15.916 3.305 1.00 1.11 C ATOM 127 O ASN A 9 -3.334 14.715 3.461 1.00 1.04 O ATOM 128 CB ASN A 9 -1.491 16.895 4.847 1.00 1.63 C ATOM 129 CG ASN A 9 -0.061 16.596 5.272 1.00 2.02 C ATOM 130 OD1 ASN A 9 0.880 16.925 4.564 1.00 2.72 O ATOM 131 ND2 ASN A 9 0.126 15.951 6.416 1.00 2.19 N ATOM 0 H ASN A 9 -1.084 18.368 2.898 1.00 1.55 H new ATOM 0 HA ASN A 9 -1.050 15.668 3.117 1.00 1.41 H new ATOM 0 HB2 ASN A 9 -1.686 17.963 4.946 1.00 1.63 H new ATOM 0 HB3 ASN A 9 -2.185 16.381 5.512 1.00 1.63 H new ATOM 0 HD21 ASN A 9 1.071 15.719 6.722 1.00 2.19 H new ATOM 0 HD22 ASN A 9 -0.675 15.687 6.990 1.00 2.19 H new ATOM 138 N ASP A 10 -4.172 16.760 3.117 1.00 1.05 N ATOM 139 CA ASP A 10 -5.514 16.199 3.098 1.00 0.97 C ATOM 140 C ASP A 10 -5.752 15.369 1.842 1.00 0.84 C ATOM 141 O ASP A 10 -6.416 14.343 1.933 1.00 0.85 O ATOM 142 CB ASP A 10 -6.609 17.242 3.292 1.00 1.37 C ATOM 143 CG ASP A 10 -7.865 16.490 3.737 1.00 2.31 C ATOM 144 OD1 ASP A 10 -7.941 16.132 4.935 1.00 4.22 O ATOM 145 OD2 ASP A 10 -8.665 16.073 2.872 1.00 2.03 O ATOM 0 H ASP A 10 -4.099 17.769 2.984 1.00 1.05 H new ATOM 0 HA ASP A 10 -5.575 15.536 3.961 1.00 0.97 H new ATOM 0 HB2 ASP A 10 -6.314 17.977 4.040 1.00 1.37 H new ATOM 0 HB3 ASP A 10 -6.793 17.786 2.366 1.00 1.37 H new ATOM 150 N SER A 11 -5.190 15.769 0.697 1.00 0.88 N ATOM 151 CA SER A 11 -5.289 15.063 -0.576 1.00 0.86 C ATOM 152 C SER A 11 -4.540 13.733 -0.526 1.00 0.65 C ATOM 153 O SER A 11 -5.099 12.669 -0.794 1.00 0.58 O ATOM 154 CB SER A 11 -4.692 15.954 -1.672 1.00 1.13 C ATOM 155 OG SER A 11 -5.302 17.228 -1.640 1.00 1.78 O ATOM 0 H SER A 11 -4.636 16.623 0.633 1.00 0.88 H new ATOM 0 HA SER A 11 -6.337 14.848 -0.787 1.00 0.86 H new ATOM 0 HB2 SER A 11 -3.616 16.052 -1.527 1.00 1.13 H new ATOM 0 HB3 SER A 11 -4.841 15.494 -2.649 1.00 1.13 H new ATOM 0 HG SER A 11 -4.916 17.793 -2.341 1.00 1.78 H new ATOM 161 N GLU A 12 -3.250 13.785 -0.197 1.00 0.71 N ATOM 162 CA GLU A 12 -2.404 12.602 -0.134 1.00 0.72 C ATOM 163 C GLU A 12 -2.824 11.709 1.038 1.00 0.59 C ATOM 164 O GLU A 12 -2.650 10.492 1.008 1.00 0.64 O ATOM 165 CB GLU A 12 -0.941 13.036 -0.034 1.00 1.02 C ATOM 166 CG GLU A 12 -0.456 13.481 -1.418 1.00 2.68 C ATOM 167 CD GLU A 12 1.015 13.882 -1.383 1.00 3.18 C ATOM 168 OE1 GLU A 12 1.845 12.950 -1.476 1.00 3.67 O ATOM 169 OE2 GLU A 12 1.282 15.095 -1.233 1.00 3.83 O ATOM 0 H GLU A 12 -2.765 14.652 0.033 1.00 0.71 H new ATOM 0 HA GLU A 12 -2.521 12.010 -1.042 1.00 0.72 H new ATOM 0 HB2 GLU A 12 -0.839 13.852 0.681 1.00 1.02 H new ATOM 0 HB3 GLU A 12 -0.328 12.212 0.333 1.00 1.02 H new ATOM 0 HG2 GLU A 12 -0.598 12.672 -2.134 1.00 2.68 H new ATOM 0 HG3 GLU A 12 -1.057 14.322 -1.764 1.00 2.68 H new ATOM 176 N GLY A 13 -3.427 12.308 2.061 1.00 0.58 N ATOM 177 CA GLY A 13 -4.188 11.590 3.066 1.00 0.58 C ATOM 178 C GLY A 13 -5.370 10.880 2.413 1.00 0.51 C ATOM 179 O GLY A 13 -5.507 9.675 2.528 1.00 0.61 O ATOM 0 H GLY A 13 -3.398 13.316 2.213 1.00 0.58 H new ATOM 0 HA2 GLY A 13 -3.549 10.864 3.569 1.00 0.58 H new ATOM 0 HA3 GLY A 13 -4.545 12.283 3.828 1.00 0.58 H new ATOM 183 N PHE A 14 -6.206 11.593 1.660 1.00 0.46 N ATOM 184 CA PHE A 14 -7.477 11.088 1.157 1.00 0.49 C ATOM 185 C PHE A 14 -7.286 9.750 0.464 1.00 0.44 C ATOM 186 O PHE A 14 -7.998 8.794 0.745 1.00 0.51 O ATOM 187 CB PHE A 14 -8.127 12.110 0.209 1.00 0.56 C ATOM 188 CG PHE A 14 -9.606 11.888 -0.023 1.00 0.87 C ATOM 189 CD1 PHE A 14 -10.050 10.846 -0.860 1.00 2.25 C ATOM 190 CD2 PHE A 14 -10.545 12.737 0.595 1.00 1.79 C ATOM 191 CE1 PHE A 14 -11.427 10.641 -1.057 1.00 2.67 C ATOM 192 CE2 PHE A 14 -11.921 12.527 0.399 1.00 2.04 C ATOM 193 CZ PHE A 14 -12.361 11.477 -0.424 1.00 1.94 C ATOM 0 H PHE A 14 -6.013 12.554 1.379 1.00 0.46 H new ATOM 0 HA PHE A 14 -8.147 10.937 2.004 1.00 0.49 H new ATOM 0 HB2 PHE A 14 -7.981 13.111 0.616 1.00 0.56 H new ATOM 0 HB3 PHE A 14 -7.611 12.078 -0.751 1.00 0.56 H new ATOM 0 HD1 PHE A 14 -9.333 10.204 -1.350 1.00 2.25 H new ATOM 0 HD2 PHE A 14 -10.207 13.550 1.220 1.00 1.79 H new ATOM 0 HE1 PHE A 14 -11.767 9.839 -1.696 1.00 2.67 H new ATOM 0 HE2 PHE A 14 -12.640 13.173 0.881 1.00 2.04 H new ATOM 0 HZ PHE A 14 -13.418 11.313 -0.570 1.00 1.94 H new ATOM 203 N ILE A 15 -6.316 9.673 -0.443 1.00 0.36 N ATOM 204 CA ILE A 15 -6.013 8.443 -1.162 1.00 0.37 C ATOM 205 C ILE A 15 -5.394 7.370 -0.258 1.00 0.34 C ATOM 206 O ILE A 15 -5.607 6.187 -0.512 1.00 0.38 O ATOM 207 CB ILE A 15 -5.108 8.733 -2.357 1.00 0.36 C ATOM 208 CG1 ILE A 15 -3.747 9.216 -1.839 1.00 0.29 C ATOM 209 CG2 ILE A 15 -5.794 9.712 -3.315 1.00 0.44 C ATOM 210 CD1 ILE A 15 -3.055 10.248 -2.702 1.00 0.39 C ATOM 0 H ILE A 15 -5.720 10.460 -0.699 1.00 0.36 H new ATOM 0 HA ILE A 15 -6.960 8.041 -1.523 1.00 0.37 H new ATOM 0 HB ILE A 15 -4.927 7.831 -2.941 1.00 0.36 H new ATOM 0 HG12 ILE A 15 -3.884 9.634 -0.842 1.00 0.29 H new ATOM 0 HG13 ILE A 15 -3.089 8.353 -1.736 1.00 0.29 H new ATOM 0 HG21 ILE A 15 -5.139 9.911 -4.163 1.00 0.44 H new ATOM 0 HG22 ILE A 15 -6.728 9.278 -3.672 1.00 0.44 H new ATOM 0 HG23 ILE A 15 -6.004 10.645 -2.792 1.00 0.44 H new ATOM 0 HD11 ILE A 15 -2.103 10.522 -2.248 1.00 0.39 H new ATOM 0 HD12 ILE A 15 -2.878 9.833 -3.694 1.00 0.39 H new ATOM 0 HD13 ILE A 15 -3.685 11.133 -2.786 1.00 0.39 H new ATOM 222 N HIS A 16 -4.608 7.750 0.758 1.00 0.30 N ATOM 223 CA HIS A 16 -4.058 6.794 1.713 1.00 0.32 C ATOM 224 C HIS A 16 -5.241 6.097 2.389 1.00 0.42 C ATOM 225 O HIS A 16 -5.394 4.878 2.301 1.00 0.39 O ATOM 226 CB HIS A 16 -3.128 7.498 2.729 1.00 0.36 C ATOM 227 CG HIS A 16 -2.624 6.666 3.896 1.00 0.38 C ATOM 228 ND1 HIS A 16 -1.320 6.256 4.115 1.00 0.48 N ATOM 229 CD2 HIS A 16 -3.330 6.386 5.037 1.00 0.64 C ATOM 230 CE1 HIS A 16 -1.245 5.736 5.359 1.00 0.47 C ATOM 231 NE2 HIS A 16 -2.458 5.803 5.940 1.00 0.61 N ATOM 0 H HIS A 16 -4.341 8.718 0.935 1.00 0.30 H new ATOM 0 HA HIS A 16 -3.437 6.053 1.210 1.00 0.32 H new ATOM 0 HB2 HIS A 16 -2.263 7.881 2.187 1.00 0.36 H new ATOM 0 HB3 HIS A 16 -3.659 8.361 3.132 1.00 0.36 H new ATOM 0 HD2 HIS A 16 -4.379 6.585 5.202 1.00 0.64 H new ATOM 0 HE1 HIS A 16 -0.354 5.331 5.815 1.00 0.47 H new ATOM 0 HE2 HIS A 16 -2.693 5.481 6.879 1.00 0.61 H new ATOM 240 N GLU A 17 -6.108 6.881 3.034 1.00 0.54 N ATOM 241 CA GLU A 17 -7.325 6.401 3.674 1.00 0.62 C ATOM 242 C GLU A 17 -8.144 5.550 2.704 1.00 0.65 C ATOM 243 O GLU A 17 -8.608 4.482 3.089 1.00 0.71 O ATOM 244 CB GLU A 17 -8.169 7.563 4.221 1.00 0.64 C ATOM 245 CG GLU A 17 -7.610 8.151 5.523 1.00 0.73 C ATOM 246 CD GLU A 17 -6.508 9.185 5.293 1.00 2.26 C ATOM 247 OE1 GLU A 17 -6.852 10.386 5.169 1.00 2.66 O ATOM 248 OE2 GLU A 17 -5.334 8.749 5.249 1.00 4.04 O ATOM 0 H GLU A 17 -5.976 7.888 3.125 1.00 0.54 H new ATOM 0 HA GLU A 17 -7.031 5.779 4.519 1.00 0.62 H new ATOM 0 HB2 GLU A 17 -8.225 8.350 3.468 1.00 0.64 H new ATOM 0 HB3 GLU A 17 -9.187 7.215 4.394 1.00 0.64 H new ATOM 0 HG2 GLU A 17 -8.422 8.614 6.083 1.00 0.73 H new ATOM 0 HG3 GLU A 17 -7.218 7.343 6.140 1.00 0.73 H new ATOM 255 N PHE A 18 -8.303 5.994 1.454 1.00 0.63 N ATOM 256 CA PHE A 18 -9.059 5.276 0.432 1.00 0.69 C ATOM 257 C PHE A 18 -8.525 3.862 0.307 1.00 0.62 C ATOM 258 O PHE A 18 -9.305 2.924 0.423 1.00 0.73 O ATOM 259 CB PHE A 18 -9.021 6.029 -0.913 1.00 0.73 C ATOM 260 CG PHE A 18 -10.250 5.899 -1.802 1.00 0.85 C ATOM 261 CD1 PHE A 18 -10.919 4.670 -1.969 1.00 2.35 C ATOM 262 CD2 PHE A 18 -10.731 7.038 -2.475 1.00 1.89 C ATOM 263 CE1 PHE A 18 -12.065 4.591 -2.782 1.00 2.61 C ATOM 264 CE2 PHE A 18 -11.875 6.959 -3.288 1.00 1.98 C ATOM 265 CZ PHE A 18 -12.547 5.735 -3.439 1.00 1.54 C ATOM 0 H PHE A 18 -7.905 6.873 1.123 1.00 0.63 H new ATOM 0 HA PHE A 18 -10.106 5.220 0.730 1.00 0.69 H new ATOM 0 HB2 PHE A 18 -8.860 7.087 -0.707 1.00 0.73 H new ATOM 0 HB3 PHE A 18 -8.155 5.679 -1.475 1.00 0.73 H new ATOM 0 HD1 PHE A 18 -10.551 3.785 -1.471 1.00 2.35 H new ATOM 0 HD2 PHE A 18 -10.216 7.981 -2.366 1.00 1.89 H new ATOM 0 HE1 PHE A 18 -12.576 3.647 -2.901 1.00 2.61 H new ATOM 0 HE2 PHE A 18 -12.237 7.840 -3.797 1.00 1.98 H new ATOM 0 HZ PHE A 18 -13.430 5.674 -4.057 1.00 1.54 H new ATOM 275 N GLY A 19 -7.213 3.693 0.123 1.00 0.48 N ATOM 276 CA GLY A 19 -6.579 2.383 0.108 1.00 0.43 C ATOM 277 C GLY A 19 -7.073 1.529 1.270 1.00 0.41 C ATOM 278 O GLY A 19 -7.504 0.394 1.083 1.00 0.40 O ATOM 0 H GLY A 19 -6.563 4.466 -0.020 1.00 0.48 H new ATOM 0 HA2 GLY A 19 -6.794 1.881 -0.835 1.00 0.43 H new ATOM 0 HA3 GLY A 19 -5.497 2.497 0.169 1.00 0.43 H new ATOM 282 N HIS A 20 -7.063 2.091 2.479 1.00 0.45 N ATOM 283 CA HIS A 20 -7.526 1.381 3.658 1.00 0.50 C ATOM 284 C HIS A 20 -8.983 0.950 3.512 1.00 0.54 C ATOM 285 O HIS A 20 -9.315 -0.192 3.811 1.00 0.55 O ATOM 286 CB HIS A 20 -7.307 2.255 4.904 1.00 0.62 C ATOM 287 CG HIS A 20 -7.126 1.466 6.173 1.00 0.68 C ATOM 288 ND1 HIS A 20 -7.922 0.442 6.601 1.00 0.68 N flip ATOM 289 CD2 HIS A 20 -6.120 1.652 7.103 1.00 1.68 C flip ATOM 290 CE1 HIS A 20 -7.403 0.010 7.805 1.00 0.95 C flip ATOM 291 NE2 HIS A 20 -6.315 0.757 8.089 1.00 1.83 N flip ATOM 0 H HIS A 20 -6.737 3.040 2.662 1.00 0.45 H new ATOM 0 HA HIS A 20 -6.944 0.467 3.773 1.00 0.50 H new ATOM 0 HB2 HIS A 20 -6.429 2.881 4.748 1.00 0.62 H new ATOM 0 HB3 HIS A 20 -8.159 2.925 5.021 1.00 0.62 H new ATOM 0 HD2 HIS A 20 -5.325 2.381 7.048 1.00 1.68 H new ATOM 0 HE1 HIS A 20 -7.799 -0.788 8.415 1.00 0.95 H new ATOM 0 HE2 HIS A 20 -5.732 0.659 8.920 1.00 1.83 H new ATOM 300 N ALA A 21 -9.868 1.842 3.073 1.00 0.62 N ATOM 301 CA ALA A 21 -11.266 1.498 2.876 1.00 0.70 C ATOM 302 C ALA A 21 -11.402 0.387 1.831 1.00 0.66 C ATOM 303 O ALA A 21 -12.293 -0.453 1.928 1.00 0.73 O ATOM 304 CB ALA A 21 -12.056 2.747 2.477 1.00 0.82 C ATOM 0 H ALA A 21 -9.637 2.810 2.848 1.00 0.62 H new ATOM 0 HA ALA A 21 -11.679 1.119 3.811 1.00 0.70 H new ATOM 0 HB1 ALA A 21 -13.103 2.484 2.330 1.00 0.82 H new ATOM 0 HB2 ALA A 21 -11.977 3.495 3.266 1.00 0.82 H new ATOM 0 HB3 ALA A 21 -11.651 3.153 1.550 1.00 0.82 H new ATOM 310 N VAL A 22 -10.518 0.346 0.832 1.00 0.58 N ATOM 311 CA VAL A 22 -10.594 -0.721 -0.161 1.00 0.58 C ATOM 312 C VAL A 22 -10.253 -2.058 0.472 1.00 0.48 C ATOM 313 O VAL A 22 -10.851 -3.076 0.132 1.00 0.51 O ATOM 314 CB VAL A 22 -9.708 -0.436 -1.388 1.00 0.66 C ATOM 315 CG1 VAL A 22 -9.902 -1.515 -2.462 1.00 0.80 C ATOM 316 CG2 VAL A 22 -10.007 0.947 -1.984 1.00 0.93 C ATOM 0 H VAL A 22 -9.764 1.018 0.692 1.00 0.58 H new ATOM 0 HA VAL A 22 -11.621 -0.764 -0.523 1.00 0.58 H new ATOM 0 HB VAL A 22 -8.671 -0.451 -1.051 1.00 0.66 H new ATOM 0 HG11 VAL A 22 -9.267 -1.293 -3.319 1.00 0.80 H new ATOM 0 HG12 VAL A 22 -9.632 -2.489 -2.053 1.00 0.80 H new ATOM 0 HG13 VAL A 22 -10.945 -1.531 -2.778 1.00 0.80 H new ATOM 0 HG21 VAL A 22 -9.365 1.117 -2.848 1.00 0.93 H new ATOM 0 HG22 VAL A 22 -11.051 0.992 -2.293 1.00 0.93 H new ATOM 0 HG23 VAL A 22 -9.817 1.715 -1.234 1.00 0.93 H new ATOM 326 N ASP A 23 -9.324 -2.055 1.421 1.00 0.43 N ATOM 327 CA ASP A 23 -8.960 -3.254 2.153 1.00 0.43 C ATOM 328 C ASP A 23 -10.170 -3.837 2.886 1.00 0.43 C ATOM 329 O ASP A 23 -10.279 -5.044 3.086 1.00 0.53 O ATOM 330 CB ASP A 23 -7.828 -2.905 3.129 1.00 0.49 C ATOM 331 CG ASP A 23 -6.849 -4.051 3.354 1.00 0.72 C ATOM 332 OD1 ASP A 23 -6.925 -5.057 2.614 1.00 1.64 O ATOM 333 OD2 ASP A 23 -6.027 -3.892 4.284 1.00 1.90 O ATOM 0 H ASP A 23 -8.806 -1.222 1.701 1.00 0.43 H new ATOM 0 HA ASP A 23 -8.614 -4.019 1.458 1.00 0.43 H new ATOM 0 HB2 ASP A 23 -7.283 -2.041 2.748 1.00 0.49 H new ATOM 0 HB3 ASP A 23 -8.260 -2.613 4.086 1.00 0.49 H new ATOM 338 N ASP A 24 -11.105 -2.967 3.273 1.00 0.47 N ATOM 339 CA ASP A 24 -12.275 -3.353 4.045 1.00 0.63 C ATOM 340 C ASP A 24 -13.247 -4.094 3.133 1.00 0.56 C ATOM 341 O ASP A 24 -13.709 -5.193 3.438 1.00 0.68 O ATOM 342 CB ASP A 24 -12.934 -2.120 4.673 1.00 0.88 C ATOM 343 CG ASP A 24 -14.020 -2.497 5.679 1.00 1.19 C ATOM 344 OD1 ASP A 24 -13.822 -3.503 6.392 1.00 2.49 O ATOM 345 OD2 ASP A 24 -15.018 -1.746 5.747 1.00 1.66 O ATOM 0 H ASP A 24 -11.066 -1.971 3.056 1.00 0.47 H new ATOM 0 HA ASP A 24 -11.978 -4.014 4.859 1.00 0.63 H new ATOM 0 HB2 ASP A 24 -12.174 -1.517 5.170 1.00 0.88 H new ATOM 0 HB3 ASP A 24 -13.368 -1.502 3.887 1.00 0.88 H new ATOM 350 N TYR A 25 -13.491 -3.519 1.951 1.00 0.56 N ATOM 351 CA TYR A 25 -14.234 -4.180 0.887 1.00 0.76 C ATOM 352 C TYR A 25 -13.660 -5.570 0.657 1.00 0.79 C ATOM 353 O TYR A 25 -14.387 -6.559 0.634 1.00 0.94 O ATOM 354 CB TYR A 25 -14.186 -3.332 -0.391 1.00 0.98 C ATOM 355 CG TYR A 25 -15.172 -3.792 -1.440 1.00 1.37 C ATOM 356 CD1 TYR A 25 -16.547 -3.707 -1.161 1.00 1.45 C ATOM 357 CD2 TYR A 25 -14.733 -4.335 -2.662 1.00 2.49 C ATOM 358 CE1 TYR A 25 -17.489 -4.173 -2.090 1.00 1.68 C ATOM 359 CE2 TYR A 25 -15.672 -4.785 -3.608 1.00 3.05 C ATOM 360 CZ TYR A 25 -17.054 -4.707 -3.325 1.00 2.40 C ATOM 361 OH TYR A 25 -17.953 -5.168 -4.239 1.00 2.95 O ATOM 0 H TYR A 25 -13.176 -2.579 1.710 1.00 0.56 H new ATOM 0 HA TYR A 25 -15.280 -4.286 1.176 1.00 0.76 H new ATOM 0 HB2 TYR A 25 -14.391 -2.292 -0.138 1.00 0.98 H new ATOM 0 HB3 TYR A 25 -13.179 -3.367 -0.806 1.00 0.98 H new ATOM 0 HD1 TYR A 25 -16.880 -3.281 -0.226 1.00 1.45 H new ATOM 0 HD2 TYR A 25 -13.676 -4.406 -2.873 1.00 2.49 H new ATOM 0 HE1 TYR A 25 -18.544 -4.124 -1.863 1.00 1.68 H new ATOM 0 HE2 TYR A 25 -15.336 -5.190 -4.551 1.00 3.05 H new ATOM 0 HH TYR A 25 -17.476 -5.498 -5.029 1.00 2.95 H new ATOM 371 N ALA A 26 -12.340 -5.657 0.528 1.00 0.73 N ATOM 372 CA ALA A 26 -11.685 -6.921 0.291 1.00 0.85 C ATOM 373 C ALA A 26 -11.962 -7.934 1.399 1.00 0.83 C ATOM 374 O ALA A 26 -12.123 -9.105 1.091 1.00 1.04 O ATOM 375 CB ALA A 26 -10.200 -6.688 0.110 1.00 0.91 C ATOM 0 H ALA A 26 -11.708 -4.859 0.585 1.00 0.73 H new ATOM 0 HA ALA A 26 -12.094 -7.355 -0.621 1.00 0.85 H new ATOM 0 HB1 ALA A 26 -9.701 -7.641 -0.069 1.00 0.91 H new ATOM 0 HB2 ALA A 26 -10.036 -6.027 -0.741 1.00 0.91 H new ATOM 0 HB3 ALA A 26 -9.791 -6.228 1.010 1.00 0.91 H new ATOM 381 N GLY A 27 -12.036 -7.507 2.660 1.00 0.74 N ATOM 382 CA GLY A 27 -12.258 -8.394 3.799 1.00 0.91 C ATOM 383 C GLY A 27 -13.717 -8.826 3.918 1.00 0.97 C ATOM 384 O GLY A 27 -14.034 -9.802 4.601 1.00 1.11 O ATOM 0 H GLY A 27 -11.942 -6.525 2.920 1.00 0.74 H new ATOM 0 HA2 GLY A 27 -11.627 -9.277 3.698 1.00 0.91 H new ATOM 0 HA3 GLY A 27 -11.955 -7.888 4.716 1.00 0.91 H new ATOM 388 N TYR A 28 -14.629 -8.089 3.278 1.00 1.12 N ATOM 389 CA TYR A 28 -16.034 -8.452 3.230 1.00 1.36 C ATOM 390 C TYR A 28 -16.255 -9.492 2.129 1.00 1.57 C ATOM 391 O TYR A 28 -16.917 -10.505 2.341 1.00 1.84 O ATOM 392 CB TYR A 28 -16.894 -7.194 3.023 1.00 1.34 C ATOM 393 CG TYR A 28 -18.226 -7.270 3.745 1.00 1.71 C ATOM 394 CD1 TYR A 28 -19.185 -8.232 3.374 1.00 2.10 C ATOM 395 CD2 TYR A 28 -18.485 -6.405 4.826 1.00 1.86 C ATOM 396 CE1 TYR A 28 -20.399 -8.326 4.078 1.00 2.47 C ATOM 397 CE2 TYR A 28 -19.697 -6.492 5.533 1.00 2.31 C ATOM 398 CZ TYR A 28 -20.661 -7.458 5.160 1.00 2.55 C ATOM 399 OH TYR A 28 -21.838 -7.566 5.840 1.00 3.01 O ATOM 0 H TYR A 28 -14.407 -7.226 2.781 1.00 1.12 H new ATOM 0 HA TYR A 28 -16.338 -8.900 4.176 1.00 1.36 H new ATOM 0 HB2 TYR A 28 -16.344 -6.321 3.375 1.00 1.34 H new ATOM 0 HB3 TYR A 28 -17.071 -7.051 1.957 1.00 1.34 H new ATOM 0 HD1 TYR A 28 -18.988 -8.899 2.548 1.00 2.10 H new ATOM 0 HD2 TYR A 28 -17.748 -5.670 5.114 1.00 1.86 H new ATOM 0 HE1 TYR A 28 -21.133 -9.064 3.790 1.00 2.47 H new ATOM 0 HE2 TYR A 28 -19.892 -5.823 6.358 1.00 2.31 H new ATOM 0 HH TYR A 28 -21.864 -6.898 6.557 1.00 3.01 H new ATOM 409 N LEU A 29 -15.748 -9.217 0.927 1.00 1.51 N ATOM 410 CA LEU A 29 -15.934 -10.044 -0.254 1.00 1.80 C ATOM 411 C LEU A 29 -15.139 -11.330 -0.181 1.00 1.89 C ATOM 412 O LEU A 29 -15.624 -12.389 -0.575 1.00 2.03 O ATOM 413 CB LEU A 29 -15.504 -9.253 -1.489 1.00 1.82 C ATOM 414 CG LEU A 29 -16.575 -8.256 -1.977 1.00 1.93 C ATOM 415 CD1 LEU A 29 -17.786 -9.041 -2.473 1.00 2.23 C ATOM 416 CD2 LEU A 29 -17.138 -7.275 -0.949 1.00 1.76 C ATOM 0 H LEU A 29 -15.181 -8.388 0.749 1.00 1.51 H new ATOM 0 HA LEU A 29 -16.989 -10.311 -0.313 1.00 1.80 H new ATOM 0 HB2 LEU A 29 -14.587 -8.709 -1.263 1.00 1.82 H new ATOM 0 HB3 LEU A 29 -15.271 -9.949 -2.295 1.00 1.82 H new ATOM 0 HG LEU A 29 -16.046 -7.669 -2.728 1.00 1.93 H new ATOM 0 HD11 LEU A 29 -18.551 -8.347 -2.821 1.00 2.23 H new ATOM 0 HD12 LEU A 29 -17.486 -9.692 -3.294 1.00 2.23 H new ATOM 0 HD13 LEU A 29 -18.187 -9.645 -1.659 1.00 2.23 H new ATOM 0 HD21 LEU A 29 -17.880 -6.634 -1.426 1.00 1.76 H new ATOM 0 HD22 LEU A 29 -17.607 -7.829 -0.136 1.00 1.76 H new ATOM 0 HD23 LEU A 29 -16.330 -6.661 -0.551 1.00 1.76 H new ATOM 428 N LEU A 30 -13.894 -11.216 0.253 1.00 1.83 N ATOM 429 CA LEU A 30 -12.966 -12.316 0.331 1.00 1.84 C ATOM 430 C LEU A 30 -12.801 -12.563 1.819 1.00 1.81 C ATOM 431 O LEU A 30 -12.819 -11.599 2.575 1.00 2.12 O ATOM 432 CB LEU A 30 -11.621 -11.936 -0.294 1.00 1.69 C ATOM 433 CG LEU A 30 -11.762 -11.338 -1.702 1.00 1.87 C ATOM 434 CD1 LEU A 30 -10.604 -10.382 -1.939 1.00 1.77 C ATOM 435 CD2 LEU A 30 -11.797 -12.431 -2.769 1.00 2.27 C ATOM 0 H LEU A 30 -13.498 -10.330 0.567 1.00 1.83 H new ATOM 0 HA LEU A 30 -13.322 -13.195 -0.206 1.00 1.84 H new ATOM 0 HB2 LEU A 30 -11.117 -11.217 0.352 1.00 1.69 H new ATOM 0 HB3 LEU A 30 -10.986 -12.821 -0.343 1.00 1.69 H new ATOM 0 HG LEU A 30 -12.706 -10.797 -1.773 1.00 1.87 H new ATOM 0 HD11 LEU A 30 -10.689 -9.948 -2.935 1.00 1.77 H new ATOM 0 HD12 LEU A 30 -10.630 -9.587 -1.193 1.00 1.77 H new ATOM 0 HD13 LEU A 30 -9.662 -10.924 -1.858 1.00 1.77 H new ATOM 0 HD21 LEU A 30 -11.897 -11.975 -3.754 1.00 2.27 H new ATOM 0 HD22 LEU A 30 -10.873 -13.008 -2.729 1.00 2.27 H new ATOM 0 HD23 LEU A 30 -12.645 -13.091 -2.586 1.00 2.27 H new ATOM 447 N ASP A 31 -12.655 -13.816 2.248 1.00 2.29 N ATOM 448 CA ASP A 31 -12.508 -14.194 3.654 1.00 2.43 C ATOM 449 C ASP A 31 -13.836 -14.028 4.406 1.00 2.46 C ATOM 450 O ASP A 31 -14.419 -15.023 4.833 1.00 3.04 O ATOM 451 CB ASP A 31 -11.320 -13.483 4.331 1.00 3.04 C ATOM 452 CG ASP A 31 -10.030 -13.631 3.519 1.00 4.59 C ATOM 453 OD1 ASP A 31 -9.819 -14.742 2.981 1.00 5.56 O ATOM 454 OD2 ASP A 31 -9.281 -12.634 3.425 1.00 5.54 O ATOM 0 H ASP A 31 -12.635 -14.615 1.614 1.00 2.29 H new ATOM 0 HA ASP A 31 -12.259 -15.254 3.695 1.00 2.43 H new ATOM 0 HB2 ASP A 31 -11.552 -12.425 4.455 1.00 3.04 H new ATOM 0 HB3 ASP A 31 -11.171 -13.895 5.329 1.00 3.04 H new ATOM 459 N LYS A 32 -14.345 -12.797 4.532 1.00 3.59 N ATOM 460 CA LYS A 32 -15.632 -12.442 5.118 1.00 4.88 C ATOM 461 C LYS A 32 -15.544 -12.587 6.626 1.00 4.83 C ATOM 462 O LYS A 32 -16.265 -13.379 7.234 1.00 5.45 O ATOM 463 CB LYS A 32 -16.791 -13.208 4.453 1.00 6.23 C ATOM 464 CG LYS A 32 -18.135 -12.461 4.543 1.00 7.62 C ATOM 465 CD LYS A 32 -18.917 -12.623 5.854 1.00 8.58 C ATOM 466 CE LYS A 32 -19.363 -14.067 6.099 1.00 8.44 C ATOM 467 NZ LYS A 32 -20.374 -14.499 5.107 1.00 9.31 N ATOM 0 H LYS A 32 -13.834 -11.976 4.206 1.00 3.59 H new ATOM 0 HA LYS A 32 -15.867 -11.397 4.918 1.00 4.88 H new ATOM 0 HB2 LYS A 32 -16.549 -13.384 3.405 1.00 6.23 H new ATOM 0 HB3 LYS A 32 -16.892 -14.185 4.925 1.00 6.23 H new ATOM 0 HG2 LYS A 32 -17.947 -11.399 4.386 1.00 7.62 H new ATOM 0 HG3 LYS A 32 -18.769 -12.797 3.723 1.00 7.62 H new ATOM 0 HD2 LYS A 32 -18.296 -12.292 6.686 1.00 8.58 H new ATOM 0 HD3 LYS A 32 -19.793 -11.975 5.833 1.00 8.58 H new ATOM 0 HE2 LYS A 32 -18.498 -14.729 6.051 1.00 8.44 H new ATOM 0 HE3 LYS A 32 -19.777 -14.156 7.104 1.00 8.44 H new ATOM 0 HZ1 LYS A 32 -20.765 -15.420 5.389 1.00 9.31 H new ATOM 0 HZ2 LYS A 32 -21.140 -13.796 5.063 1.00 9.31 H new ATOM 0 HZ3 LYS A 32 -19.928 -14.584 4.171 1.00 9.31 H new ATOM 481 N ASN A 33 -14.670 -11.790 7.241 1.00 4.65 N ATOM 482 CA ASN A 33 -14.541 -11.738 8.684 1.00 4.76 C ATOM 483 C ASN A 33 -13.984 -10.387 9.107 1.00 4.80 C ATOM 484 O ASN A 33 -13.327 -9.714 8.320 1.00 5.27 O ATOM 485 CB ASN A 33 -13.623 -12.860 9.159 1.00 4.89 C ATOM 486 CG ASN A 33 -13.705 -12.949 10.672 1.00 5.44 C ATOM 487 OD1 ASN A 33 -14.791 -13.039 11.232 1.00 6.01 O ATOM 488 ND2 ASN A 33 -12.588 -12.813 11.358 1.00 5.79 N ATOM 0 H ASN A 33 -14.034 -11.165 6.746 1.00 4.65 H new ATOM 0 HA ASN A 33 -15.523 -11.868 9.138 1.00 4.76 H new ATOM 0 HB2 ASN A 33 -13.920 -13.807 8.708 1.00 4.89 H new ATOM 0 HB3 ASN A 33 -12.597 -12.666 8.847 1.00 4.89 H new ATOM 0 HD21 ASN A 33 -12.616 -12.781 12.377 1.00 5.79 H new ATOM 0 HD22 ASN A 33 -11.695 -12.740 10.870 1.00 5.79 H new ATOM 495 N GLN A 34 -14.213 -9.984 10.358 1.00 4.89 N ATOM 496 CA GLN A 34 -13.857 -8.644 10.810 1.00 5.33 C ATOM 497 C GLN A 34 -12.370 -8.514 11.174 1.00 4.36 C ATOM 498 O GLN A 34 -11.991 -7.542 11.823 1.00 4.84 O ATOM 499 CB GLN A 34 -14.771 -8.247 11.984 1.00 6.72 C ATOM 500 CG GLN A 34 -15.265 -6.805 11.806 1.00 8.21 C ATOM 501 CD GLN A 34 -16.182 -6.358 12.942 1.00 9.28 C ATOM 502 OE1 GLN A 34 -16.679 -7.160 13.723 1.00 9.50 O ATOM 503 NE2 GLN A 34 -16.440 -5.061 13.048 1.00 10.29 N ATOM 0 H GLN A 34 -14.644 -10.569 11.074 1.00 4.89 H new ATOM 0 HA GLN A 34 -14.013 -7.952 9.982 1.00 5.33 H new ATOM 0 HB2 GLN A 34 -15.622 -8.927 12.038 1.00 6.72 H new ATOM 0 HB3 GLN A 34 -14.228 -8.340 12.925 1.00 6.72 H new ATOM 0 HG2 GLN A 34 -14.407 -6.135 11.750 1.00 8.21 H new ATOM 0 HG3 GLN A 34 -15.798 -6.721 10.859 1.00 8.21 H new ATOM 0 HE21 GLN A 34 -16.020 -4.402 12.392 1.00 10.29 H new ATOM 0 HE22 GLN A 34 -17.058 -4.723 13.786 1.00 10.29 H new ATOM 512 N SER A 35 -11.517 -9.460 10.768 1.00 3.53 N ATOM 513 CA SER A 35 -10.088 -9.392 11.054 1.00 3.40 C ATOM 514 C SER A 35 -9.255 -9.941 9.900 1.00 3.31 C ATOM 515 O SER A 35 -8.124 -10.375 10.114 1.00 4.45 O ATOM 516 CB SER A 35 -9.802 -10.160 12.349 1.00 4.36 C ATOM 517 OG SER A 35 -10.250 -11.501 12.256 1.00 5.19 O ATOM 0 H SER A 35 -11.798 -10.285 10.238 1.00 3.53 H new ATOM 0 HA SER A 35 -9.804 -8.347 11.178 1.00 3.40 H new ATOM 0 HB2 SER A 35 -8.732 -10.144 12.556 1.00 4.36 H new ATOM 0 HB3 SER A 35 -10.296 -9.665 13.185 1.00 4.36 H new ATOM 0 HG SER A 35 -9.934 -11.894 11.416 1.00 5.19 H new ATOM 523 N ASP A 36 -9.799 -9.938 8.683 1.00 3.22 N ATOM 524 CA ASP A 36 -9.194 -10.618 7.550 1.00 4.41 C ATOM 525 C ASP A 36 -9.359 -9.661 6.373 1.00 3.73 C ATOM 526 O ASP A 36 -10.455 -9.147 6.162 1.00 3.71 O ATOM 527 CB ASP A 36 -9.893 -11.968 7.334 1.00 6.10 C ATOM 528 CG ASP A 36 -9.691 -12.931 8.517 1.00 7.22 C ATOM 529 OD1 ASP A 36 -10.268 -12.671 9.607 1.00 7.05 O ATOM 530 OD2 ASP A 36 -8.964 -13.929 8.323 1.00 8.77 O ATOM 0 H ASP A 36 -10.673 -9.462 8.460 1.00 3.22 H new ATOM 0 HA ASP A 36 -8.139 -10.851 7.693 1.00 4.41 H new ATOM 0 HB2 ASP A 36 -10.960 -11.801 7.183 1.00 6.10 H new ATOM 0 HB3 ASP A 36 -9.511 -12.430 6.424 1.00 6.10 H new ATOM 535 N LEU A 37 -8.263 -9.312 5.694 1.00 3.80 N ATOM 536 CA LEU A 37 -8.213 -8.223 4.725 1.00 2.99 C ATOM 537 C LEU A 37 -7.206 -8.607 3.633 1.00 3.07 C ATOM 538 O LEU A 37 -6.414 -9.529 3.827 1.00 3.64 O ATOM 539 CB LEU A 37 -7.774 -6.917 5.411 1.00 2.55 C ATOM 540 CG LEU A 37 -8.756 -6.309 6.428 1.00 2.71 C ATOM 541 CD1 LEU A 37 -8.398 -6.715 7.862 1.00 3.50 C ATOM 542 CD2 LEU A 37 -8.683 -4.780 6.374 1.00 2.39 C ATOM 0 H LEU A 37 -7.369 -9.791 5.808 1.00 3.80 H new ATOM 0 HA LEU A 37 -9.200 -8.062 4.292 1.00 2.99 H new ATOM 0 HB2 LEU A 37 -6.827 -7.101 5.919 1.00 2.55 H new ATOM 0 HB3 LEU A 37 -7.581 -6.174 4.637 1.00 2.55 H new ATOM 0 HG LEU A 37 -9.750 -6.675 6.169 1.00 2.71 H new ATOM 0 HD11 LEU A 37 -9.111 -6.269 8.555 1.00 3.50 H new ATOM 0 HD12 LEU A 37 -8.434 -7.801 7.953 1.00 3.50 H new ATOM 0 HD13 LEU A 37 -7.393 -6.365 8.099 1.00 3.50 H new ATOM 0 HD21 LEU A 37 -9.381 -4.357 7.096 1.00 2.39 H new ATOM 0 HD22 LEU A 37 -7.671 -4.455 6.614 1.00 2.39 H new ATOM 0 HD23 LEU A 37 -8.946 -4.438 5.373 1.00 2.39 H new ATOM 554 N VAL A 38 -7.159 -7.902 2.498 1.00 2.72 N ATOM 555 CA VAL A 38 -6.322 -8.323 1.369 1.00 3.14 C ATOM 556 C VAL A 38 -4.965 -7.618 1.416 1.00 3.44 C ATOM 557 O VAL A 38 -4.390 -7.226 0.405 1.00 4.39 O ATOM 558 CB VAL A 38 -7.108 -8.188 0.051 1.00 2.84 C ATOM 559 CG1 VAL A 38 -7.216 -6.752 -0.484 1.00 2.68 C ATOM 560 CG2 VAL A 38 -6.557 -9.087 -1.060 1.00 3.49 C ATOM 0 H VAL A 38 -7.686 -7.044 2.337 1.00 2.72 H new ATOM 0 HA VAL A 38 -6.076 -9.383 1.439 1.00 3.14 H new ATOM 0 HB VAL A 38 -8.111 -8.514 0.325 1.00 2.84 H new ATOM 0 HG11 VAL A 38 -7.785 -6.752 -1.414 1.00 2.68 H new ATOM 0 HG12 VAL A 38 -7.722 -6.127 0.251 1.00 2.68 H new ATOM 0 HG13 VAL A 38 -6.217 -6.357 -0.670 1.00 2.68 H new ATOM 0 HG21 VAL A 38 -7.149 -8.951 -1.965 1.00 3.49 H new ATOM 0 HG22 VAL A 38 -5.519 -8.822 -1.262 1.00 3.49 H new ATOM 0 HG23 VAL A 38 -6.610 -10.129 -0.745 1.00 3.49 H new ATOM 570 N THR A 39 -4.404 -7.545 2.617 1.00 2.98 N ATOM 571 CA THR A 39 -3.074 -7.028 2.875 1.00 3.16 C ATOM 572 C THR A 39 -2.217 -8.158 3.421 1.00 3.10 C ATOM 573 O THR A 39 -1.089 -8.369 2.979 1.00 4.38 O ATOM 574 CB THR A 39 -3.150 -5.830 3.837 1.00 3.37 C ATOM 575 OG1 THR A 39 -1.861 -5.521 4.325 1.00 4.20 O ATOM 576 CG2 THR A 39 -4.046 -6.034 5.060 1.00 2.96 C ATOM 0 H THR A 39 -4.882 -7.855 3.463 1.00 2.98 H new ATOM 0 HA THR A 39 -2.615 -6.662 1.956 1.00 3.16 H new ATOM 0 HB THR A 39 -3.584 -5.030 3.237 1.00 3.37 H new ATOM 0 HG1 THR A 39 -1.934 -4.867 5.051 1.00 4.20 H new ATOM 0 HG21 THR A 39 -4.033 -5.134 5.675 1.00 2.96 H new ATOM 0 HG22 THR A 39 -5.066 -6.235 4.734 1.00 2.96 H new ATOM 0 HG23 THR A 39 -3.678 -6.878 5.644 1.00 2.96 H new ATOM 584 N ASN A 40 -2.761 -8.889 4.389 1.00 2.37 N ATOM 585 CA ASN A 40 -2.005 -9.756 5.257 1.00 2.73 C ATOM 586 C ASN A 40 -2.377 -11.189 4.912 1.00 2.36 C ATOM 587 O ASN A 40 -3.231 -11.798 5.546 1.00 2.74 O ATOM 588 CB ASN A 40 -2.265 -9.364 6.723 1.00 3.48 C ATOM 589 CG ASN A 40 -3.718 -9.447 7.191 1.00 4.54 C ATOM 590 OD1 ASN A 40 -4.656 -9.186 6.446 1.00 5.57 O ATOM 591 ND2 ASN A 40 -3.931 -9.747 8.466 1.00 5.18 N ATOM 0 H ASN A 40 -3.761 -8.888 4.588 1.00 2.37 H new ATOM 0 HA ASN A 40 -0.929 -9.657 5.116 1.00 2.73 H new ATOM 0 HB2 ASN A 40 -1.661 -10.007 7.363 1.00 3.48 H new ATOM 0 HB3 ASN A 40 -1.913 -8.343 6.873 1.00 3.48 H new ATOM 0 HD21 ASN A 40 -4.882 -9.762 8.834 1.00 5.18 H new ATOM 0 HD22 ASN A 40 -3.144 -9.963 9.078 1.00 5.18 H new ATOM 598 N SER A 41 -1.729 -11.734 3.883 1.00 2.71 N ATOM 599 CA SER A 41 -1.940 -13.114 3.462 1.00 2.72 C ATOM 600 C SER A 41 -0.843 -14.003 4.060 1.00 3.15 C ATOM 601 O SER A 41 -0.082 -13.541 4.906 1.00 3.95 O ATOM 602 CB SER A 41 -2.038 -13.151 1.929 1.00 4.15 C ATOM 603 OG SER A 41 -2.350 -14.444 1.444 1.00 4.72 O ATOM 0 H SER A 41 -1.044 -11.230 3.320 1.00 2.71 H new ATOM 0 HA SER A 41 -2.880 -13.518 3.838 1.00 2.72 H new ATOM 0 HB2 SER A 41 -2.801 -12.447 1.598 1.00 4.15 H new ATOM 0 HB3 SER A 41 -1.093 -12.822 1.498 1.00 4.15 H new ATOM 0 HG SER A 41 -2.404 -14.422 0.466 1.00 4.72 H new ATOM 609 N LYS A 42 -0.823 -15.287 3.671 1.00 3.60 N ATOM 610 CA LYS A 42 0.074 -16.369 4.100 1.00 4.69 C ATOM 611 C LYS A 42 0.688 -16.149 5.484 1.00 4.71 C ATOM 612 O LYS A 42 1.713 -15.496 5.630 1.00 5.21 O ATOM 613 CB LYS A 42 1.154 -16.620 3.039 1.00 5.85 C ATOM 614 CG LYS A 42 0.544 -17.305 1.805 1.00 6.17 C ATOM 615 CD LYS A 42 0.633 -16.437 0.547 1.00 6.07 C ATOM 616 CE LYS A 42 -0.252 -17.008 -0.567 1.00 6.08 C ATOM 617 NZ LYS A 42 0.171 -18.361 -0.994 1.00 7.19 N ATOM 0 H LYS A 42 -1.497 -15.625 2.984 1.00 3.60 H new ATOM 0 HA LYS A 42 -0.543 -17.262 4.198 1.00 4.69 H new ATOM 0 HB2 LYS A 42 1.614 -15.675 2.748 1.00 5.85 H new ATOM 0 HB3 LYS A 42 1.944 -17.244 3.456 1.00 5.85 H new ATOM 0 HG2 LYS A 42 1.058 -18.250 1.627 1.00 6.17 H new ATOM 0 HG3 LYS A 42 -0.501 -17.543 2.005 1.00 6.17 H new ATOM 0 HD2 LYS A 42 0.323 -15.418 0.779 1.00 6.07 H new ATOM 0 HD3 LYS A 42 1.667 -16.386 0.207 1.00 6.07 H new ATOM 0 HE2 LYS A 42 -1.285 -17.047 -0.221 1.00 6.08 H new ATOM 0 HE3 LYS A 42 -0.228 -16.336 -1.425 1.00 6.08 H new ATOM 0 HZ1 LYS A 42 -0.428 -18.679 -1.782 1.00 7.19 H new ATOM 0 HZ2 LYS A 42 1.164 -18.333 -1.303 1.00 7.19 H new ATOM 0 HZ3 LYS A 42 0.075 -19.022 -0.197 1.00 7.19 H new ATOM 631 N LYS A 43 0.048 -16.735 6.502 1.00 5.14 N ATOM 632 CA LYS A 43 0.367 -16.549 7.918 1.00 5.81 C ATOM 633 C LYS A 43 -0.005 -15.145 8.396 1.00 4.91 C ATOM 634 O LYS A 43 0.311 -14.782 9.523 1.00 5.90 O ATOM 635 CB LYS A 43 1.841 -16.915 8.201 1.00 7.05 C ATOM 636 CG LYS A 43 2.134 -17.315 9.655 1.00 8.93 C ATOM 637 CD LYS A 43 1.456 -18.633 10.050 1.00 10.48 C ATOM 638 CE LYS A 43 1.728 -18.921 11.529 1.00 12.34 C ATOM 639 NZ LYS A 43 0.752 -19.884 12.083 1.00 13.62 N ATOM 0 H LYS A 43 -0.733 -17.374 6.355 1.00 5.14 H new ATOM 0 HA LYS A 43 -0.244 -17.236 8.503 1.00 5.81 H new ATOM 0 HB2 LYS A 43 2.129 -17.738 7.547 1.00 7.05 H new ATOM 0 HB3 LYS A 43 2.470 -16.064 7.939 1.00 7.05 H new ATOM 0 HG2 LYS A 43 3.211 -17.409 9.792 1.00 8.93 H new ATOM 0 HG3 LYS A 43 1.795 -16.522 10.322 1.00 8.93 H new ATOM 0 HD2 LYS A 43 0.383 -18.570 9.872 1.00 10.48 H new ATOM 0 HD3 LYS A 43 1.834 -19.448 9.434 1.00 10.48 H new ATOM 0 HE2 LYS A 43 2.737 -19.317 11.644 1.00 12.34 H new ATOM 0 HE3 LYS A 43 1.685 -17.991 12.096 1.00 12.34 H new ATOM 0 HZ1 LYS A 43 0.965 -20.056 13.086 1.00 13.62 H new ATOM 0 HZ2 LYS A 43 -0.208 -19.494 11.995 1.00 13.62 H new ATOM 0 HZ3 LYS A 43 0.811 -20.780 11.558 1.00 13.62 H new ATOM 653 N PHE A 44 -0.742 -14.388 7.579 1.00 3.65 N ATOM 654 CA PHE A 44 -1.143 -13.018 7.839 1.00 3.52 C ATOM 655 C PHE A 44 0.052 -12.116 8.121 1.00 3.16 C ATOM 656 O PHE A 44 -0.109 -11.135 8.841 1.00 4.84 O ATOM 657 CB PHE A 44 -2.194 -12.961 8.956 1.00 5.28 C ATOM 658 CG PHE A 44 -3.427 -13.801 8.699 1.00 5.41 C ATOM 659 CD1 PHE A 44 -4.513 -13.264 7.981 1.00 6.35 C ATOM 660 CD2 PHE A 44 -3.498 -15.118 9.190 1.00 5.34 C ATOM 661 CE1 PHE A 44 -5.663 -14.037 7.757 1.00 7.01 C ATOM 662 CE2 PHE A 44 -4.648 -15.894 8.962 1.00 5.94 C ATOM 663 CZ PHE A 44 -5.733 -15.351 8.249 1.00 6.69 C ATOM 0 H PHE A 44 -1.086 -14.735 6.683 1.00 3.65 H new ATOM 0 HA PHE A 44 -1.607 -12.629 6.933 1.00 3.52 H new ATOM 0 HB2 PHE A 44 -1.734 -13.289 9.888 1.00 5.28 H new ATOM 0 HB3 PHE A 44 -2.499 -11.924 9.099 1.00 5.28 H new ATOM 0 HD1 PHE A 44 -4.461 -12.254 7.602 1.00 6.35 H new ATOM 0 HD2 PHE A 44 -2.668 -15.533 9.743 1.00 5.34 H new ATOM 0 HE1 PHE A 44 -6.494 -13.622 7.206 1.00 7.01 H new ATOM 0 HE2 PHE A 44 -4.699 -16.907 9.334 1.00 5.94 H new ATOM 0 HZ PHE A 44 -6.619 -15.944 8.080 1.00 6.69 H new ATOM 673 N ILE A 45 1.231 -12.435 7.572 1.00 1.44 N ATOM 674 CA ILE A 45 2.447 -11.669 7.825 1.00 1.33 C ATOM 675 C ILE A 45 3.560 -12.189 6.901 1.00 1.15 C ATOM 676 O ILE A 45 4.050 -13.297 7.086 1.00 2.22 O ATOM 677 CB ILE A 45 2.805 -11.743 9.338 1.00 1.82 C ATOM 678 CG1 ILE A 45 3.741 -10.603 9.755 1.00 2.13 C ATOM 679 CG2 ILE A 45 3.363 -13.090 9.824 1.00 3.06 C ATOM 680 CD1 ILE A 45 3.343 -10.074 11.139 1.00 2.84 C ATOM 0 H ILE A 45 1.363 -13.228 6.944 1.00 1.44 H new ATOM 0 HA ILE A 45 2.307 -10.613 7.596 1.00 1.33 H new ATOM 0 HB ILE A 45 1.841 -11.633 9.835 1.00 1.82 H new ATOM 0 HG12 ILE A 45 4.772 -10.957 9.775 1.00 2.13 H new ATOM 0 HG13 ILE A 45 3.695 -9.798 9.022 1.00 2.13 H new ATOM 0 HG21 ILE A 45 3.578 -13.031 10.891 1.00 3.06 H new ATOM 0 HG22 ILE A 45 2.628 -13.874 9.645 1.00 3.06 H new ATOM 0 HG23 ILE A 45 4.280 -13.321 9.281 1.00 3.06 H new ATOM 0 HD11 ILE A 45 4.014 -9.264 11.426 1.00 2.84 H new ATOM 0 HD12 ILE A 45 2.319 -9.702 11.106 1.00 2.84 H new ATOM 0 HD13 ILE A 45 3.413 -10.879 11.870 1.00 2.84 H new ATOM 692 N ASP A 46 3.959 -11.419 5.884 1.00 0.87 N ATOM 693 CA ASP A 46 5.072 -11.803 5.007 1.00 0.62 C ATOM 694 C ASP A 46 5.604 -10.559 4.301 1.00 0.51 C ATOM 695 O ASP A 46 6.671 -10.051 4.634 1.00 0.49 O ATOM 696 CB ASP A 46 4.635 -12.861 3.982 1.00 0.85 C ATOM 697 CG ASP A 46 5.799 -13.244 3.063 1.00 1.10 C ATOM 698 OD1 ASP A 46 6.528 -14.191 3.426 1.00 1.90 O ATOM 699 OD2 ASP A 46 5.937 -12.585 2.007 1.00 2.20 O ATOM 0 H ASP A 46 3.528 -10.525 5.647 1.00 0.87 H new ATOM 0 HA ASP A 46 5.862 -12.245 5.613 1.00 0.62 H new ATOM 0 HB2 ASP A 46 4.269 -13.747 4.501 1.00 0.85 H new ATOM 0 HB3 ASP A 46 3.807 -12.476 3.386 1.00 0.85 H new ATOM 704 N ILE A 47 4.799 -10.015 3.389 1.00 0.51 N ATOM 705 CA ILE A 47 5.087 -8.809 2.622 1.00 0.45 C ATOM 706 C ILE A 47 5.413 -7.672 3.603 1.00 0.44 C ATOM 707 O ILE A 47 6.419 -6.977 3.502 1.00 0.44 O ATOM 708 CB ILE A 47 3.857 -8.505 1.734 1.00 0.46 C ATOM 709 CG1 ILE A 47 3.474 -9.648 0.773 1.00 0.52 C ATOM 710 CG2 ILE A 47 4.041 -7.194 0.973 1.00 0.49 C ATOM 711 CD1 ILE A 47 4.137 -9.531 -0.594 1.00 0.49 C ATOM 0 H ILE A 47 3.892 -10.421 3.157 1.00 0.51 H new ATOM 0 HA ILE A 47 5.951 -8.930 1.968 1.00 0.45 H new ATOM 0 HB ILE A 47 3.018 -8.405 2.423 1.00 0.46 H new ATOM 0 HG12 ILE A 47 3.751 -10.601 1.224 1.00 0.52 H new ATOM 0 HG13 ILE A 47 2.392 -9.659 0.645 1.00 0.52 H new ATOM 0 HG21 ILE A 47 3.162 -7.005 0.357 1.00 0.49 H new ATOM 0 HG22 ILE A 47 4.170 -6.377 1.682 1.00 0.49 H new ATOM 0 HG23 ILE A 47 4.923 -7.264 0.336 1.00 0.49 H new ATOM 0 HD11 ILE A 47 3.826 -10.366 -1.222 1.00 0.49 H new ATOM 0 HD12 ILE A 47 3.840 -8.593 -1.063 1.00 0.49 H new ATOM 0 HD13 ILE A 47 5.220 -9.550 -0.476 1.00 0.49 H new ATOM 723 N PHE A 48 4.559 -7.486 4.607 1.00 0.49 N ATOM 724 CA PHE A 48 4.772 -6.480 5.633 1.00 0.51 C ATOM 725 C PHE A 48 6.069 -6.675 6.416 1.00 0.51 C ATOM 726 O PHE A 48 6.594 -5.723 6.982 1.00 0.52 O ATOM 727 CB PHE A 48 3.576 -6.518 6.574 1.00 0.62 C ATOM 728 CG PHE A 48 3.712 -5.624 7.786 1.00 0.64 C ATOM 729 CD1 PHE A 48 3.902 -4.248 7.607 1.00 0.52 C ATOM 730 CD2 PHE A 48 3.707 -6.168 9.082 1.00 0.80 C ATOM 731 CE1 PHE A 48 4.103 -3.419 8.716 1.00 0.56 C ATOM 732 CE2 PHE A 48 3.830 -5.324 10.201 1.00 0.82 C ATOM 733 CZ PHE A 48 4.054 -3.948 10.016 1.00 0.71 C ATOM 0 H PHE A 48 3.704 -8.029 4.728 1.00 0.49 H new ATOM 0 HA PHE A 48 4.868 -5.510 5.146 1.00 0.51 H new ATOM 0 HB2 PHE A 48 2.683 -6.227 6.020 1.00 0.62 H new ATOM 0 HB3 PHE A 48 3.424 -7.544 6.909 1.00 0.62 H new ATOM 0 HD1 PHE A 48 3.893 -3.827 6.613 1.00 0.52 H new ATOM 0 HD2 PHE A 48 3.609 -7.235 9.219 1.00 0.80 H new ATOM 0 HE1 PHE A 48 4.297 -2.366 8.572 1.00 0.56 H new ATOM 0 HE2 PHE A 48 3.753 -5.731 11.198 1.00 0.82 H new ATOM 0 HZ PHE A 48 4.188 -3.301 10.870 1.00 0.71 H new ATOM 743 N LYS A 49 6.597 -7.891 6.527 1.00 0.55 N ATOM 744 CA LYS A 49 7.825 -8.049 7.287 1.00 0.62 C ATOM 745 C LYS A 49 8.997 -7.425 6.555 1.00 0.58 C ATOM 746 O LYS A 49 9.781 -6.717 7.179 1.00 0.67 O ATOM 747 CB LYS A 49 8.098 -9.522 7.609 1.00 0.69 C ATOM 748 CG LYS A 49 7.058 -10.098 8.573 1.00 0.69 C ATOM 749 CD LYS A 49 7.087 -9.382 9.932 1.00 1.51 C ATOM 750 CE LYS A 49 6.110 -8.197 9.986 1.00 1.15 C ATOM 751 NZ LYS A 49 6.314 -7.371 11.192 1.00 1.25 N ATOM 0 H LYS A 49 6.213 -8.744 6.120 1.00 0.55 H new ATOM 0 HA LYS A 49 7.699 -7.524 8.234 1.00 0.62 H new ATOM 0 HB2 LYS A 49 8.097 -10.102 6.686 1.00 0.69 H new ATOM 0 HB3 LYS A 49 9.092 -9.620 8.046 1.00 0.69 H new ATOM 0 HG2 LYS A 49 6.064 -10.006 8.134 1.00 0.69 H new ATOM 0 HG3 LYS A 49 7.246 -11.162 8.718 1.00 0.69 H new ATOM 0 HD2 LYS A 49 6.837 -10.092 10.720 1.00 1.51 H new ATOM 0 HD3 LYS A 49 8.098 -9.026 10.132 1.00 1.51 H new ATOM 0 HE2 LYS A 49 6.238 -7.580 9.097 1.00 1.15 H new ATOM 0 HE3 LYS A 49 5.086 -8.570 9.970 1.00 1.15 H new ATOM 0 HZ1 LYS A 49 5.636 -6.582 11.191 1.00 1.25 H new ATOM 0 HZ2 LYS A 49 6.167 -7.954 12.041 1.00 1.25 H new ATOM 0 HZ3 LYS A 49 7.283 -6.994 11.195 1.00 1.25 H new ATOM 765 N GLU A 50 9.141 -7.720 5.267 1.00 0.49 N ATOM 766 CA GLU A 50 10.311 -7.276 4.529 1.00 0.53 C ATOM 767 C GLU A 50 10.047 -5.873 3.970 1.00 0.53 C ATOM 768 O GLU A 50 10.774 -4.924 4.257 1.00 0.71 O ATOM 769 CB GLU A 50 10.632 -8.325 3.453 1.00 0.52 C ATOM 770 CG GLU A 50 12.096 -8.281 3.003 1.00 1.36 C ATOM 771 CD GLU A 50 13.023 -8.860 4.076 1.00 1.36 C ATOM 772 OE1 GLU A 50 13.410 -8.088 4.981 1.00 1.99 O ATOM 773 OE2 GLU A 50 13.322 -10.072 3.986 1.00 2.11 O ATOM 0 H GLU A 50 8.469 -8.258 4.721 1.00 0.49 H new ATOM 0 HA GLU A 50 11.191 -7.192 5.167 1.00 0.53 H new ATOM 0 HB2 GLU A 50 10.405 -9.318 3.840 1.00 0.52 H new ATOM 0 HB3 GLU A 50 9.986 -8.164 2.590 1.00 0.52 H new ATOM 0 HG2 GLU A 50 12.212 -8.844 2.077 1.00 1.36 H new ATOM 0 HG3 GLU A 50 12.382 -7.251 2.788 1.00 1.36 H new ATOM 780 N GLU A 51 8.979 -5.709 3.187 1.00 0.37 N ATOM 781 CA GLU A 51 8.690 -4.437 2.537 1.00 0.31 C ATOM 782 C GLU A 51 8.099 -3.427 3.522 1.00 0.29 C ATOM 783 O GLU A 51 8.354 -2.224 3.407 1.00 0.30 O ATOM 784 CB GLU A 51 7.768 -4.644 1.336 1.00 0.31 C ATOM 785 CG GLU A 51 8.505 -5.369 0.204 1.00 0.77 C ATOM 786 CD GLU A 51 8.741 -6.849 0.472 1.00 1.10 C ATOM 787 OE1 GLU A 51 7.776 -7.523 0.894 1.00 2.80 O ATOM 788 OE2 GLU A 51 9.860 -7.322 0.176 1.00 1.82 O ATOM 0 H GLU A 51 8.301 -6.445 2.990 1.00 0.37 H new ATOM 0 HA GLU A 51 9.631 -4.023 2.175 1.00 0.31 H new ATOM 0 HB2 GLU A 51 6.895 -5.223 1.637 1.00 0.31 H new ATOM 0 HB3 GLU A 51 7.404 -3.680 0.981 1.00 0.31 H new ATOM 0 HG2 GLU A 51 7.931 -5.263 -0.717 1.00 0.77 H new ATOM 0 HG3 GLU A 51 9.466 -4.882 0.038 1.00 0.77 H new ATOM 795 N GLY A 52 7.344 -3.890 4.523 1.00 0.30 N ATOM 796 CA GLY A 52 6.854 -3.092 5.637 1.00 0.33 C ATOM 797 C GLY A 52 7.940 -2.650 6.623 1.00 0.35 C ATOM 798 O GLY A 52 7.709 -2.555 7.826 1.00 0.39 O ATOM 0 H GLY A 52 7.050 -4.865 4.576 1.00 0.30 H new ATOM 0 HA2 GLY A 52 6.356 -2.206 5.243 1.00 0.33 H new ATOM 0 HA3 GLY A 52 6.102 -3.667 6.177 1.00 0.33 H new ATOM 802 N SER A 53 9.119 -2.290 6.123 1.00 0.35 N ATOM 803 CA SER A 53 10.021 -1.369 6.783 1.00 0.38 C ATOM 804 C SER A 53 10.881 -0.723 5.699 1.00 0.45 C ATOM 805 O SER A 53 12.107 -0.704 5.804 1.00 0.80 O ATOM 806 CB SER A 53 10.853 -2.123 7.829 1.00 0.46 C ATOM 807 OG SER A 53 11.715 -1.234 8.513 1.00 1.96 O ATOM 0 H SER A 53 9.474 -2.639 5.233 1.00 0.35 H new ATOM 0 HA SER A 53 9.485 -0.587 7.321 1.00 0.38 H new ATOM 0 HB2 SER A 53 10.192 -2.617 8.541 1.00 0.46 H new ATOM 0 HB3 SER A 53 11.438 -2.904 7.343 1.00 0.46 H new ATOM 0 HG SER A 53 12.239 -0.722 7.863 1.00 1.96 H new ATOM 813 N ASN A 54 10.249 -0.217 4.634 1.00 0.32 N ATOM 814 CA ASN A 54 10.979 0.370 3.515 1.00 0.34 C ATOM 815 C ASN A 54 10.247 1.542 2.891 1.00 0.36 C ATOM 816 O ASN A 54 10.843 2.591 2.673 1.00 0.53 O ATOM 817 CB ASN A 54 11.281 -0.700 2.450 1.00 0.42 C ATOM 818 CG ASN A 54 12.777 -0.872 2.254 1.00 0.65 C ATOM 819 OD1 ASN A 54 13.324 -0.541 1.211 1.00 1.18 O ATOM 820 ND2 ASN A 54 13.465 -1.374 3.270 1.00 2.06 N ATOM 0 H ASN A 54 9.235 -0.204 4.528 1.00 0.32 H new ATOM 0 HA ASN A 54 11.916 0.756 3.916 1.00 0.34 H new ATOM 0 HB2 ASN A 54 10.839 -1.650 2.750 1.00 0.42 H new ATOM 0 HB3 ASN A 54 10.818 -0.417 1.505 1.00 0.42 H new ATOM 0 HD21 ASN A 54 14.475 -1.492 3.193 1.00 2.06 H new ATOM 0 HD22 ASN A 54 12.984 -1.642 4.129 1.00 2.06 H new ATOM 827 N LEU A 55 8.965 1.364 2.576 1.00 0.28 N ATOM 828 CA LEU A 55 8.215 2.375 1.835 1.00 0.28 C ATOM 829 C LEU A 55 8.169 3.696 2.602 1.00 0.30 C ATOM 830 O LEU A 55 8.176 4.772 2.007 1.00 0.35 O ATOM 831 CB LEU A 55 6.791 1.882 1.552 1.00 0.25 C ATOM 832 CG LEU A 55 6.715 0.475 0.946 1.00 0.26 C ATOM 833 CD1 LEU A 55 5.289 0.197 0.466 1.00 0.29 C ATOM 834 CD2 LEU A 55 7.695 0.316 -0.213 1.00 0.31 C ATOM 0 H LEU A 55 8.427 0.533 2.821 1.00 0.28 H new ATOM 0 HA LEU A 55 8.727 2.546 0.888 1.00 0.28 H new ATOM 0 HB2 LEU A 55 6.224 1.894 2.483 1.00 0.25 H new ATOM 0 HB3 LEU A 55 6.305 2.583 0.873 1.00 0.25 H new ATOM 0 HG LEU A 55 6.989 -0.244 1.718 1.00 0.26 H new ATOM 0 HD11 LEU A 55 5.238 -0.803 0.036 1.00 0.29 H new ATOM 0 HD12 LEU A 55 4.602 0.265 1.309 1.00 0.29 H new ATOM 0 HD13 LEU A 55 5.010 0.931 -0.290 1.00 0.29 H new ATOM 0 HD21 LEU A 55 7.616 -0.692 -0.620 1.00 0.31 H new ATOM 0 HD22 LEU A 55 7.459 1.041 -0.991 1.00 0.31 H new ATOM 0 HD23 LEU A 55 8.711 0.485 0.144 1.00 0.31 H new ATOM 846 N THR A 56 8.090 3.603 3.929 1.00 0.29 N ATOM 847 CA THR A 56 8.020 4.724 4.859 1.00 0.33 C ATOM 848 C THR A 56 7.898 4.144 6.270 1.00 0.32 C ATOM 849 O THR A 56 7.649 2.948 6.430 1.00 0.30 O ATOM 850 CB THR A 56 6.892 5.715 4.492 1.00 0.36 C ATOM 851 OG1 THR A 56 6.615 6.592 5.570 1.00 0.45 O ATOM 852 CG2 THR A 56 5.575 5.053 4.095 1.00 0.33 C ATOM 0 H THR A 56 8.072 2.701 4.405 1.00 0.29 H new ATOM 0 HA THR A 56 8.926 5.327 4.803 1.00 0.33 H new ATOM 0 HB THR A 56 7.278 6.251 3.625 1.00 0.36 H new ATOM 0 HG1 THR A 56 5.899 7.210 5.313 1.00 0.45 H new ATOM 0 HG21 THR A 56 4.840 5.821 3.854 1.00 0.33 H new ATOM 0 HG22 THR A 56 5.735 4.418 3.224 1.00 0.33 H new ATOM 0 HG23 THR A 56 5.208 4.447 4.923 1.00 0.33 H new ATOM 860 N SER A 57 8.031 4.977 7.305 1.00 0.38 N ATOM 861 CA SER A 57 7.724 4.580 8.670 1.00 0.42 C ATOM 862 C SER A 57 6.269 4.139 8.787 1.00 0.42 C ATOM 863 O SER A 57 5.973 3.222 9.546 1.00 0.44 O ATOM 864 CB SER A 57 8.013 5.732 9.630 1.00 0.50 C ATOM 865 OG SER A 57 9.353 6.144 9.466 1.00 1.04 O ATOM 0 H SER A 57 8.354 5.940 7.215 1.00 0.38 H new ATOM 0 HA SER A 57 8.358 3.735 8.937 1.00 0.42 H new ATOM 0 HB2 SER A 57 7.337 6.564 9.433 1.00 0.50 H new ATOM 0 HB3 SER A 57 7.840 5.417 10.659 1.00 0.50 H new ATOM 0 HG SER A 57 9.545 6.885 10.078 1.00 1.04 H new ATOM 871 N TYR A 58 5.357 4.745 8.014 1.00 0.42 N ATOM 872 CA TYR A 58 3.970 4.287 7.953 1.00 0.46 C ATOM 873 C TYR A 58 3.919 2.839 7.470 1.00 0.55 C ATOM 874 O TYR A 58 3.104 2.052 7.937 1.00 0.96 O ATOM 875 CB TYR A 58 3.134 5.186 7.022 1.00 0.53 C ATOM 876 CG TYR A 58 1.947 5.874 7.670 1.00 0.62 C ATOM 877 CD1 TYR A 58 1.204 5.232 8.679 1.00 0.66 C ATOM 878 CD2 TYR A 58 1.576 7.168 7.251 1.00 0.82 C ATOM 879 CE1 TYR A 58 0.157 5.906 9.320 1.00 0.84 C ATOM 880 CE2 TYR A 58 0.481 7.821 7.846 1.00 1.07 C ATOM 881 CZ TYR A 58 -0.230 7.192 8.892 1.00 1.07 C ATOM 882 OH TYR A 58 -1.300 7.806 9.466 1.00 1.35 O ATOM 0 H TYR A 58 5.559 5.552 7.424 1.00 0.42 H new ATOM 0 HA TYR A 58 3.545 4.346 8.955 1.00 0.46 H new ATOM 0 HB2 TYR A 58 3.788 5.949 6.600 1.00 0.53 H new ATOM 0 HB3 TYR A 58 2.772 4.581 6.191 1.00 0.53 H new ATOM 0 HD1 TYR A 58 1.442 4.217 8.960 1.00 0.66 H new ATOM 0 HD2 TYR A 58 2.135 7.661 6.469 1.00 0.82 H new ATOM 0 HE1 TYR A 58 -0.357 5.438 10.147 1.00 0.84 H new ATOM 0 HE2 TYR A 58 0.185 8.801 7.504 1.00 1.07 H new ATOM 0 HH TYR A 58 -1.430 8.687 9.056 1.00 1.35 H new ATOM 892 N GLY A 59 4.829 2.455 6.580 1.00 0.36 N ATOM 893 CA GLY A 59 4.899 1.100 6.083 1.00 0.38 C ATOM 894 C GLY A 59 5.331 0.123 7.164 1.00 0.39 C ATOM 895 O GLY A 59 5.243 -1.075 6.950 1.00 0.42 O ATOM 0 H GLY A 59 5.534 3.079 6.188 1.00 0.36 H new ATOM 0 HA2 GLY A 59 3.924 0.805 5.695 1.00 0.38 H new ATOM 0 HA3 GLY A 59 5.601 1.054 5.250 1.00 0.38 H new ATOM 899 N ARG A 60 5.778 0.599 8.327 1.00 0.42 N ATOM 900 CA ARG A 60 6.177 -0.249 9.439 1.00 0.42 C ATOM 901 C ARG A 60 5.174 -0.214 10.594 1.00 0.41 C ATOM 902 O ARG A 60 5.337 -0.965 11.551 1.00 0.49 O ATOM 903 CB ARG A 60 7.560 0.213 9.911 1.00 0.45 C ATOM 904 CG ARG A 60 8.288 -0.822 10.781 1.00 0.53 C ATOM 905 CD ARG A 60 9.643 -0.287 11.249 1.00 1.46 C ATOM 906 NE ARG A 60 10.099 -1.005 12.450 1.00 1.41 N ATOM 907 CZ ARG A 60 11.138 -0.646 13.212 1.00 2.29 C ATOM 908 NH1 ARG A 60 11.938 0.345 12.821 1.00 3.50 N ATOM 909 NH2 ARG A 60 11.369 -1.272 14.368 1.00 2.27 N ATOM 0 H ARG A 60 5.872 1.596 8.520 1.00 0.42 H new ATOM 0 HA ARG A 60 6.208 -1.284 9.099 1.00 0.42 H new ATOM 0 HB2 ARG A 60 8.175 0.441 9.040 1.00 0.45 H new ATOM 0 HB3 ARG A 60 7.452 1.139 10.476 1.00 0.45 H new ATOM 0 HG2 ARG A 60 7.673 -1.073 11.646 1.00 0.53 H new ATOM 0 HG3 ARG A 60 8.432 -1.742 10.215 1.00 0.53 H new ATOM 0 HD2 ARG A 60 10.378 -0.398 10.452 1.00 1.46 H new ATOM 0 HD3 ARG A 60 9.564 0.779 11.464 1.00 1.46 H new ATOM 0 HE ARG A 60 9.583 -1.841 12.722 1.00 1.41 H new ATOM 0 HH11 ARG A 60 11.758 0.829 11.941 1.00 3.50 H new ATOM 0 HH12 ARG A 60 12.731 0.620 13.401 1.00 3.50 H new ATOM 0 HH21 ARG A 60 10.753 -2.026 14.672 1.00 2.27 H new ATOM 0 HH22 ARG A 60 12.162 -0.997 14.948 1.00 2.27 H new ATOM 923 N THR A 61 4.187 0.684 10.551 1.00 0.38 N ATOM 924 CA THR A 61 3.167 0.793 11.601 1.00 0.48 C ATOM 925 C THR A 61 2.227 -0.423 11.591 1.00 0.59 C ATOM 926 O THR A 61 2.668 -1.563 11.684 1.00 1.08 O ATOM 927 CB THR A 61 2.389 2.117 11.498 1.00 0.47 C ATOM 928 OG1 THR A 61 1.696 2.213 10.283 1.00 0.74 O ATOM 929 CG2 THR A 61 3.240 3.360 11.677 1.00 0.85 C ATOM 0 H THR A 61 4.071 1.354 9.791 1.00 0.38 H new ATOM 0 HA THR A 61 3.681 0.799 12.562 1.00 0.48 H new ATOM 0 HB THR A 61 1.689 2.083 12.332 1.00 0.47 H new ATOM 0 HG1 THR A 61 2.335 2.204 9.540 1.00 0.74 H new ATOM 0 HG21 THR A 61 2.612 4.247 11.589 1.00 0.85 H new ATOM 0 HG22 THR A 61 3.707 3.342 12.662 1.00 0.85 H new ATOM 0 HG23 THR A 61 4.013 3.385 10.909 1.00 0.85 H new ATOM 937 N ASN A 62 0.910 -0.219 11.519 1.00 0.48 N ATOM 938 CA ASN A 62 0.012 -1.354 11.424 1.00 0.49 C ATOM 939 C ASN A 62 0.105 -1.895 9.999 1.00 0.48 C ATOM 940 O ASN A 62 0.289 -1.119 9.061 1.00 0.48 O ATOM 941 CB ASN A 62 -1.423 -0.930 11.771 1.00 0.55 C ATOM 942 CG ASN A 62 -2.114 -1.960 12.648 1.00 0.82 C ATOM 943 OD1 ASN A 62 -1.780 -3.137 12.611 1.00 1.83 O ATOM 944 ND2 ASN A 62 -3.088 -1.529 13.440 1.00 1.25 N ATOM 0 H ASN A 62 0.459 0.696 11.525 1.00 0.48 H new ATOM 0 HA ASN A 62 0.293 -2.132 12.133 1.00 0.49 H new ATOM 0 HB2 ASN A 62 -1.405 0.032 12.284 1.00 0.55 H new ATOM 0 HB3 ASN A 62 -1.994 -0.791 10.853 1.00 0.55 H new ATOM 0 HD21 ASN A 62 -3.584 -2.186 14.043 1.00 1.25 H new ATOM 0 HD22 ASN A 62 -3.341 -0.541 13.446 1.00 1.25 H new ATOM 951 N GLU A 63 -0.073 -3.200 9.803 1.00 0.53 N ATOM 952 CA GLU A 63 -0.012 -3.794 8.467 1.00 0.55 C ATOM 953 C GLU A 63 -1.094 -3.184 7.560 1.00 0.53 C ATOM 954 O GLU A 63 -0.893 -2.967 6.367 1.00 0.55 O ATOM 955 CB GLU A 63 -0.084 -5.324 8.602 1.00 0.70 C ATOM 956 CG GLU A 63 0.091 -6.045 7.254 1.00 0.79 C ATOM 957 CD GLU A 63 0.704 -7.457 7.357 1.00 2.14 C ATOM 958 OE1 GLU A 63 1.165 -7.835 8.456 1.00 3.26 O ATOM 959 OE2 GLU A 63 0.769 -8.135 6.305 1.00 2.98 O ATOM 0 H GLU A 63 -0.261 -3.867 10.552 1.00 0.53 H new ATOM 0 HA GLU A 63 0.934 -3.564 7.976 1.00 0.55 H new ATOM 0 HB2 GLU A 63 0.689 -5.661 9.293 1.00 0.70 H new ATOM 0 HB3 GLU A 63 -1.044 -5.602 9.037 1.00 0.70 H new ATOM 0 HG2 GLU A 63 -0.882 -6.120 6.768 1.00 0.79 H new ATOM 0 HG3 GLU A 63 0.723 -5.434 6.610 1.00 0.79 H new ATOM 966 N ALA A 64 -2.230 -2.808 8.148 1.00 0.51 N ATOM 967 CA ALA A 64 -3.292 -2.093 7.455 1.00 0.51 C ATOM 968 C ALA A 64 -2.847 -0.732 6.916 1.00 0.45 C ATOM 969 O ALA A 64 -3.333 -0.270 5.884 1.00 0.45 O ATOM 970 CB ALA A 64 -4.476 -1.960 8.408 1.00 0.55 C ATOM 0 H ALA A 64 -2.437 -2.995 9.129 1.00 0.51 H new ATOM 0 HA ALA A 64 -3.580 -2.665 6.573 1.00 0.51 H new ATOM 0 HB1 ALA A 64 -5.286 -1.427 7.910 1.00 0.55 H new ATOM 0 HB2 ALA A 64 -4.821 -2.952 8.701 1.00 0.55 H new ATOM 0 HB3 ALA A 64 -4.169 -1.406 9.295 1.00 0.55 H new ATOM 976 N GLU A 65 -1.958 -0.041 7.624 1.00 0.41 N ATOM 977 CA GLU A 65 -1.474 1.252 7.170 1.00 0.36 C ATOM 978 C GLU A 65 -0.445 1.068 6.073 1.00 0.33 C ATOM 979 O GLU A 65 -0.470 1.817 5.108 1.00 0.38 O ATOM 980 CB GLU A 65 -0.889 2.064 8.315 1.00 0.39 C ATOM 981 CG GLU A 65 -1.848 2.029 9.502 1.00 0.55 C ATOM 982 CD GLU A 65 -1.854 3.333 10.287 1.00 0.83 C ATOM 983 OE1 GLU A 65 -2.415 4.312 9.736 1.00 1.40 O ATOM 984 OE2 GLU A 65 -1.318 3.336 11.416 1.00 2.07 O ATOM 0 H GLU A 65 -1.562 -0.356 8.510 1.00 0.41 H new ATOM 0 HA GLU A 65 -2.324 1.807 6.773 1.00 0.36 H new ATOM 0 HB2 GLU A 65 0.081 1.659 8.605 1.00 0.39 H new ATOM 0 HB3 GLU A 65 -0.723 3.093 7.998 1.00 0.39 H new ATOM 0 HG2 GLU A 65 -2.856 1.820 9.144 1.00 0.55 H new ATOM 0 HG3 GLU A 65 -1.569 1.211 10.166 1.00 0.55 H new ATOM 991 N PHE A 66 0.419 0.061 6.205 1.00 0.31 N ATOM 992 CA PHE A 66 1.338 -0.386 5.168 1.00 0.30 C ATOM 993 C PHE A 66 0.602 -0.612 3.844 1.00 0.29 C ATOM 994 O PHE A 66 1.048 -0.162 2.793 1.00 0.28 O ATOM 995 CB PHE A 66 2.060 -1.631 5.696 1.00 0.38 C ATOM 996 CG PHE A 66 2.791 -2.426 4.648 1.00 0.38 C ATOM 997 CD1 PHE A 66 4.075 -2.035 4.245 1.00 0.36 C ATOM 998 CD2 PHE A 66 2.190 -3.560 4.074 1.00 0.41 C ATOM 999 CE1 PHE A 66 4.737 -2.728 3.231 1.00 0.36 C ATOM 1000 CE2 PHE A 66 2.881 -4.297 3.099 1.00 0.41 C ATOM 1001 CZ PHE A 66 4.160 -3.878 2.686 1.00 0.38 C ATOM 0 H PHE A 66 0.498 -0.481 7.066 1.00 0.31 H new ATOM 0 HA PHE A 66 2.085 0.375 4.944 1.00 0.30 H new ATOM 0 HB2 PHE A 66 2.772 -1.324 6.462 1.00 0.38 H new ATOM 0 HB3 PHE A 66 1.330 -2.279 6.181 1.00 0.38 H new ATOM 0 HD1 PHE A 66 4.555 -1.193 4.722 1.00 0.36 H new ATOM 0 HD2 PHE A 66 1.200 -3.863 4.382 1.00 0.41 H new ATOM 0 HE1 PHE A 66 5.692 -2.377 2.869 1.00 0.36 H new ATOM 0 HE2 PHE A 66 2.434 -5.181 2.668 1.00 0.41 H new ATOM 0 HZ PHE A 66 4.698 -4.449 1.944 1.00 0.38 H new ATOM 1011 N PHE A 67 -0.549 -1.279 3.870 1.00 0.32 N ATOM 1012 CA PHE A 67 -1.356 -1.446 2.669 1.00 0.33 C ATOM 1013 C PHE A 67 -1.910 -0.108 2.166 1.00 0.33 C ATOM 1014 O PHE A 67 -1.918 0.169 0.969 1.00 0.33 O ATOM 1015 CB PHE A 67 -2.475 -2.429 2.989 1.00 0.35 C ATOM 1016 CG PHE A 67 -3.415 -2.713 1.840 1.00 0.36 C ATOM 1017 CD1 PHE A 67 -3.122 -3.736 0.921 1.00 0.39 C ATOM 1018 CD2 PHE A 67 -4.605 -1.975 1.721 1.00 0.40 C ATOM 1019 CE1 PHE A 67 -4.030 -4.043 -0.106 1.00 0.45 C ATOM 1020 CE2 PHE A 67 -5.498 -2.264 0.672 1.00 0.46 C ATOM 1021 CZ PHE A 67 -5.218 -3.303 -0.232 1.00 0.48 C ATOM 0 H PHE A 67 -0.941 -1.710 4.707 1.00 0.32 H new ATOM 0 HA PHE A 67 -0.737 -1.837 1.862 1.00 0.33 H new ATOM 0 HB2 PHE A 67 -2.031 -3.369 3.318 1.00 0.35 H new ATOM 0 HB3 PHE A 67 -3.054 -2.039 3.826 1.00 0.35 H new ATOM 0 HD1 PHE A 67 -2.197 -4.287 1.005 1.00 0.39 H new ATOM 0 HD2 PHE A 67 -4.833 -1.192 2.429 1.00 0.40 H new ATOM 0 HE1 PHE A 67 -3.816 -4.845 -0.797 1.00 0.45 H new ATOM 0 HE2 PHE A 67 -6.403 -1.685 0.561 1.00 0.46 H new ATOM 0 HZ PHE A 67 -5.916 -3.533 -1.024 1.00 0.48 H new ATOM 1031 N ALA A 68 -2.415 0.724 3.073 1.00 0.35 N ATOM 1032 CA ALA A 68 -3.080 1.971 2.725 1.00 0.37 C ATOM 1033 C ALA A 68 -2.131 2.952 2.019 1.00 0.34 C ATOM 1034 O ALA A 68 -2.413 3.442 0.925 1.00 0.32 O ATOM 1035 CB ALA A 68 -3.674 2.536 4.012 1.00 0.41 C ATOM 0 H ALA A 68 -2.373 0.548 4.077 1.00 0.35 H new ATOM 0 HA ALA A 68 -3.876 1.795 2.001 1.00 0.37 H new ATOM 0 HB1 ALA A 68 -4.184 3.475 3.796 1.00 0.41 H new ATOM 0 HB2 ALA A 68 -4.386 1.823 4.427 1.00 0.41 H new ATOM 0 HB3 ALA A 68 -2.876 2.714 4.733 1.00 0.41 H new ATOM 1041 N GLU A 69 -0.986 3.253 2.629 1.00 0.37 N ATOM 1042 CA GLU A 69 0.091 3.993 1.981 1.00 0.34 C ATOM 1043 C GLU A 69 0.535 3.309 0.688 1.00 0.32 C ATOM 1044 O GLU A 69 0.708 3.998 -0.317 1.00 0.31 O ATOM 1045 CB GLU A 69 1.248 4.265 2.958 1.00 0.51 C ATOM 1046 CG GLU A 69 1.937 3.003 3.490 1.00 1.18 C ATOM 1047 CD GLU A 69 3.255 2.665 2.798 1.00 2.57 C ATOM 1048 OE1 GLU A 69 3.423 3.055 1.622 1.00 3.06 O ATOM 1049 OE2 GLU A 69 4.094 2.041 3.484 1.00 3.89 O ATOM 0 H GLU A 69 -0.780 2.988 3.592 1.00 0.37 H new ATOM 0 HA GLU A 69 -0.291 4.971 1.688 1.00 0.34 H new ATOM 0 HB2 GLU A 69 1.991 4.887 2.458 1.00 0.51 H new ATOM 0 HB3 GLU A 69 0.867 4.840 3.802 1.00 0.51 H new ATOM 0 HG2 GLU A 69 2.122 3.127 4.557 1.00 1.18 H new ATOM 0 HG3 GLU A 69 1.256 2.159 3.381 1.00 1.18 H new ATOM 1056 N ALA A 70 0.641 1.976 0.660 1.00 0.35 N ATOM 1057 CA ALA A 70 1.008 1.293 -0.571 1.00 0.36 C ATOM 1058 C ALA A 70 0.046 1.656 -1.702 1.00 0.34 C ATOM 1059 O ALA A 70 0.506 1.886 -2.812 1.00 0.35 O ATOM 1060 CB ALA A 70 1.110 -0.221 -0.373 1.00 0.40 C ATOM 0 H ALA A 70 0.480 1.365 1.461 1.00 0.35 H new ATOM 0 HA ALA A 70 2.002 1.637 -0.858 1.00 0.36 H new ATOM 0 HB1 ALA A 70 1.386 -0.693 -1.316 1.00 0.40 H new ATOM 0 HB2 ALA A 70 1.869 -0.439 0.378 1.00 0.40 H new ATOM 0 HB3 ALA A 70 0.148 -0.610 -0.040 1.00 0.40 H new ATOM 1066 N PHE A 71 -1.265 1.763 -1.449 1.00 0.35 N ATOM 1067 CA PHE A 71 -2.236 2.222 -2.441 1.00 0.35 C ATOM 1068 C PHE A 71 -1.892 3.616 -2.957 1.00 0.30 C ATOM 1069 O PHE A 71 -1.862 3.831 -4.171 1.00 0.32 O ATOM 1070 CB PHE A 71 -3.655 2.191 -1.861 1.00 0.40 C ATOM 1071 CG PHE A 71 -4.734 2.471 -2.888 1.00 0.82 C ATOM 1072 CD1 PHE A 71 -5.269 1.415 -3.648 1.00 1.55 C ATOM 1073 CD2 PHE A 71 -5.192 3.786 -3.100 1.00 2.80 C ATOM 1074 CE1 PHE A 71 -6.249 1.672 -4.623 1.00 1.70 C ATOM 1075 CE2 PHE A 71 -6.167 4.044 -4.079 1.00 3.32 C ATOM 1076 CZ PHE A 71 -6.694 2.987 -4.842 1.00 2.09 C ATOM 0 H PHE A 71 -1.680 1.532 -0.546 1.00 0.35 H new ATOM 0 HA PHE A 71 -2.194 1.538 -3.289 1.00 0.35 H new ATOM 0 HB2 PHE A 71 -3.835 1.213 -1.414 1.00 0.40 H new ATOM 0 HB3 PHE A 71 -3.728 2.926 -1.060 1.00 0.40 H new ATOM 0 HD1 PHE A 71 -4.926 0.404 -3.482 1.00 1.55 H new ATOM 0 HD2 PHE A 71 -4.793 4.597 -2.509 1.00 2.80 H new ATOM 0 HE1 PHE A 71 -6.660 0.859 -5.203 1.00 1.70 H new ATOM 0 HE2 PHE A 71 -6.511 5.054 -4.245 1.00 3.32 H new ATOM 0 HZ PHE A 71 -7.441 3.186 -5.596 1.00 2.09 H new ATOM 1086 N ARG A 72 -1.639 4.575 -2.057 1.00 0.28 N ATOM 1087 CA ARG A 72 -1.249 5.933 -2.450 1.00 0.27 C ATOM 1088 C ARG A 72 -0.112 5.858 -3.465 1.00 0.27 C ATOM 1089 O ARG A 72 -0.197 6.431 -4.553 1.00 0.34 O ATOM 1090 CB ARG A 72 -0.868 6.766 -1.213 1.00 0.31 C ATOM 1091 CG ARG A 72 -0.148 8.086 -1.544 1.00 0.41 C ATOM 1092 CD ARG A 72 0.072 8.865 -0.244 1.00 0.56 C ATOM 1093 NE ARG A 72 1.075 9.941 -0.357 1.00 1.22 N ATOM 1094 CZ ARG A 72 1.675 10.508 0.700 1.00 1.41 C ATOM 1095 NH1 ARG A 72 1.254 10.220 1.933 1.00 2.08 N ATOM 1096 NH2 ARG A 72 2.677 11.366 0.538 1.00 2.04 N ATOM 0 H ARG A 72 -1.698 4.433 -1.049 1.00 0.28 H new ATOM 0 HA ARG A 72 -2.093 6.437 -2.922 1.00 0.27 H new ATOM 0 HB2 ARG A 72 -1.772 6.989 -0.646 1.00 0.31 H new ATOM 0 HB3 ARG A 72 -0.227 6.166 -0.567 1.00 0.31 H new ATOM 0 HG2 ARG A 72 0.807 7.884 -2.030 1.00 0.41 H new ATOM 0 HG3 ARG A 72 -0.742 8.676 -2.242 1.00 0.41 H new ATOM 0 HD2 ARG A 72 -0.877 9.297 0.075 1.00 0.56 H new ATOM 0 HD3 ARG A 72 0.384 8.171 0.536 1.00 0.56 H new ATOM 0 HE ARG A 72 1.326 10.271 -1.289 1.00 1.22 H new ATOM 0 HH11 ARG A 72 0.479 9.571 2.069 1.00 2.08 H new ATOM 0 HH12 ARG A 72 1.707 10.649 2.740 1.00 2.08 H new ATOM 0 HH21 ARG A 72 3.000 11.602 -0.400 1.00 2.04 H new ATOM 0 HH22 ARG A 72 3.123 11.789 1.352 1.00 2.04 H new ATOM 1110 N LEU A 73 0.950 5.150 -3.102 1.00 0.24 N ATOM 1111 CA LEU A 73 2.163 5.034 -3.893 1.00 0.27 C ATOM 1112 C LEU A 73 1.875 4.300 -5.198 1.00 0.32 C ATOM 1113 O LEU A 73 2.441 4.651 -6.228 1.00 0.43 O ATOM 1114 CB LEU A 73 3.254 4.369 -3.062 1.00 0.26 C ATOM 1115 CG LEU A 73 3.782 5.154 -1.830 1.00 0.23 C ATOM 1116 CD1 LEU A 73 5.231 5.626 -2.014 1.00 0.34 C ATOM 1117 CD2 LEU A 73 2.991 6.400 -1.418 1.00 0.25 C ATOM 0 H LEU A 73 0.990 4.628 -2.226 1.00 0.24 H new ATOM 0 HA LEU A 73 2.527 6.024 -4.169 1.00 0.27 H new ATOM 0 HB2 LEU A 73 2.876 3.408 -2.714 1.00 0.26 H new ATOM 0 HB3 LEU A 73 4.099 4.160 -3.718 1.00 0.26 H new ATOM 0 HG LEU A 73 3.675 4.405 -1.046 1.00 0.23 H new ATOM 0 HD11 LEU A 73 5.552 6.169 -1.125 1.00 0.34 H new ATOM 0 HD12 LEU A 73 5.879 4.762 -2.165 1.00 0.34 H new ATOM 0 HD13 LEU A 73 5.292 6.282 -2.882 1.00 0.34 H new ATOM 0 HD21 LEU A 73 3.460 6.857 -0.547 1.00 0.25 H new ATOM 0 HD22 LEU A 73 2.981 7.114 -2.242 1.00 0.25 H new ATOM 0 HD23 LEU A 73 1.968 6.116 -1.172 1.00 0.25 H new ATOM 1129 N MET A 74 0.961 3.330 -5.191 1.00 0.33 N ATOM 1130 CA MET A 74 0.649 2.503 -6.349 1.00 0.41 C ATOM 1131 C MET A 74 0.154 3.357 -7.511 1.00 0.39 C ATOM 1132 O MET A 74 0.492 3.110 -8.669 1.00 0.42 O ATOM 1133 CB MET A 74 -0.394 1.428 -5.994 1.00 0.56 C ATOM 1134 CG MET A 74 -0.151 0.131 -6.772 1.00 0.87 C ATOM 1135 SD MET A 74 -1.464 -0.423 -7.896 1.00 1.62 S ATOM 1136 CE MET A 74 -1.217 0.688 -9.302 1.00 2.36 C ATOM 0 H MET A 74 0.409 3.096 -4.366 1.00 0.33 H new ATOM 0 HA MET A 74 1.567 2.003 -6.656 1.00 0.41 H new ATOM 0 HB2 MET A 74 -0.358 1.224 -4.924 1.00 0.56 H new ATOM 0 HB3 MET A 74 -1.394 1.803 -6.213 1.00 0.56 H new ATOM 0 HG2 MET A 74 0.762 0.253 -7.354 1.00 0.87 H new ATOM 0 HG3 MET A 74 0.034 -0.665 -6.051 1.00 0.87 H new ATOM 0 HE1 MET A 74 -1.744 0.297 -10.172 1.00 2.36 H new ATOM 0 HE2 MET A 74 -1.605 1.677 -9.057 1.00 2.36 H new ATOM 0 HE3 MET A 74 -0.153 0.761 -9.525 1.00 2.36 H new ATOM 1146 N HIS A 75 -0.704 4.336 -7.212 1.00 0.41 N ATOM 1147 CA HIS A 75 -1.284 5.204 -8.228 1.00 0.48 C ATOM 1148 C HIS A 75 -0.523 6.514 -8.411 1.00 0.51 C ATOM 1149 O HIS A 75 -0.992 7.325 -9.209 1.00 0.85 O ATOM 1150 CB HIS A 75 -2.756 5.501 -7.908 1.00 0.57 C ATOM 1151 CG HIS A 75 -2.919 6.580 -6.869 1.00 0.54 C ATOM 1152 ND1 HIS A 75 -2.698 7.931 -7.087 1.00 0.62 N ATOM 1153 CD2 HIS A 75 -3.155 6.383 -5.541 1.00 0.72 C ATOM 1154 CE1 HIS A 75 -2.770 8.549 -5.895 1.00 0.81 C ATOM 1155 NE2 HIS A 75 -3.072 7.632 -4.953 1.00 0.86 N ATOM 0 H HIS A 75 -1.012 4.545 -6.262 1.00 0.41 H new ATOM 0 HA HIS A 75 -1.210 4.658 -9.169 1.00 0.48 H new ATOM 0 HB2 HIS A 75 -3.269 5.802 -8.822 1.00 0.57 H new ATOM 0 HB3 HIS A 75 -3.239 4.589 -7.557 1.00 0.57 H new ATOM 0 HD1 HIS A 75 -2.514 8.375 -7.987 1.00 0.62 H new ATOM 0 HD2 HIS A 75 -3.364 5.444 -5.049 1.00 0.72 H new ATOM 0 HE1 HIS A 75 -2.612 9.603 -5.721 1.00 0.81 H new ATOM 1164 N SER A 76 0.503 6.805 -7.599 1.00 0.50 N ATOM 1165 CA SER A 76 1.139 8.108 -7.518 1.00 0.50 C ATOM 1166 C SER A 76 1.300 8.716 -8.899 1.00 0.51 C ATOM 1167 O SER A 76 1.772 8.102 -9.855 1.00 0.66 O ATOM 1168 CB SER A 76 2.435 8.038 -6.714 1.00 0.53 C ATOM 1169 OG SER A 76 2.091 7.998 -5.343 1.00 1.04 O ATOM 0 H SER A 76 0.916 6.118 -6.969 1.00 0.50 H new ATOM 0 HA SER A 76 0.490 8.789 -6.967 1.00 0.50 H new ATOM 0 HB2 SER A 76 3.009 7.153 -6.990 1.00 0.53 H new ATOM 0 HB3 SER A 76 3.063 8.904 -6.925 1.00 0.53 H new ATOM 0 HG SER A 76 1.280 7.460 -5.225 1.00 1.04 H new ATOM 1175 N THR A 77 0.780 9.930 -8.985 1.00 0.55 N ATOM 1176 CA THR A 77 0.793 10.758 -10.172 1.00 0.65 C ATOM 1177 C THR A 77 2.222 10.865 -10.679 1.00 0.63 C ATOM 1178 O THR A 77 2.467 10.736 -11.878 1.00 0.69 O ATOM 1179 CB THR A 77 0.203 12.128 -9.821 1.00 0.82 C ATOM 1180 OG1 THR A 77 0.551 12.464 -8.491 1.00 0.87 O ATOM 1181 CG2 THR A 77 -1.323 12.087 -9.911 1.00 0.95 C ATOM 0 H THR A 77 0.319 10.381 -8.194 1.00 0.55 H new ATOM 0 HA THR A 77 0.187 10.323 -10.966 1.00 0.65 H new ATOM 0 HB THR A 77 0.598 12.863 -10.522 1.00 0.82 H new ATOM 0 HG1 THR A 77 0.176 13.341 -8.266 1.00 0.87 H new ATOM 0 HG21 THR A 77 -1.729 13.067 -9.659 1.00 0.95 H new ATOM 0 HG22 THR A 77 -1.621 11.821 -10.925 1.00 0.95 H new ATOM 0 HG23 THR A 77 -1.709 11.344 -9.213 1.00 0.95 H new ATOM 1189 N ASP A 78 3.173 11.044 -9.762 1.00 0.60 N ATOM 1190 CA ASP A 78 4.566 10.912 -10.145 1.00 0.59 C ATOM 1191 C ASP A 78 4.872 9.434 -10.374 1.00 0.54 C ATOM 1192 O ASP A 78 4.899 8.620 -9.449 1.00 0.56 O ATOM 1193 CB ASP A 78 5.507 11.543 -9.118 1.00 0.65 C ATOM 1194 CG ASP A 78 6.944 11.510 -9.641 1.00 0.83 C ATOM 1195 OD1 ASP A 78 7.125 11.057 -10.796 1.00 2.07 O ATOM 1196 OD2 ASP A 78 7.849 11.900 -8.878 1.00 1.55 O ATOM 0 H ASP A 78 3.007 11.273 -8.782 1.00 0.60 H new ATOM 0 HA ASP A 78 4.736 11.460 -11.072 1.00 0.59 H new ATOM 0 HB2 ASP A 78 5.206 12.572 -8.920 1.00 0.65 H new ATOM 0 HB3 ASP A 78 5.442 11.004 -8.173 1.00 0.65 H new ATOM 1201 N HIS A 79 5.123 9.083 -11.637 1.00 0.55 N ATOM 1202 CA HIS A 79 5.497 7.733 -12.028 1.00 0.58 C ATOM 1203 C HIS A 79 6.712 7.275 -11.215 1.00 0.55 C ATOM 1204 O HIS A 79 6.824 6.093 -10.897 1.00 0.52 O ATOM 1205 CB HIS A 79 5.749 7.683 -13.544 1.00 0.68 C ATOM 1206 CG HIS A 79 5.549 6.332 -14.197 1.00 2.48 C ATOM 1207 ND1 HIS A 79 5.367 6.127 -15.555 1.00 3.83 N ATOM 1208 CD2 HIS A 79 5.494 5.113 -13.578 1.00 3.99 C ATOM 1209 CE1 HIS A 79 5.206 4.803 -15.751 1.00 5.46 C ATOM 1210 NE2 HIS A 79 5.281 4.167 -14.564 1.00 5.62 N ATOM 0 H HIS A 79 5.071 9.736 -12.419 1.00 0.55 H new ATOM 0 HA HIS A 79 4.684 7.040 -11.811 1.00 0.58 H new ATOM 0 HB2 HIS A 79 5.088 8.402 -14.028 1.00 0.68 H new ATOM 0 HB3 HIS A 79 6.771 8.011 -13.735 1.00 0.68 H new ATOM 0 HD2 HIS A 79 5.597 4.925 -12.520 1.00 3.99 H new ATOM 0 HE1 HIS A 79 5.043 4.327 -16.707 1.00 5.46 H new ATOM 0 HE2 HIS A 79 5.195 3.161 -14.419 1.00 5.62 H new ATOM 1219 N ALA A 80 7.611 8.196 -10.863 1.00 0.57 N ATOM 1220 CA ALA A 80 8.760 7.883 -10.034 1.00 0.56 C ATOM 1221 C ALA A 80 8.319 7.273 -8.711 1.00 0.54 C ATOM 1222 O ALA A 80 8.820 6.221 -8.336 1.00 0.53 O ATOM 1223 CB ALA A 80 9.569 9.141 -9.754 1.00 0.65 C ATOM 0 H ALA A 80 7.557 9.174 -11.147 1.00 0.57 H new ATOM 0 HA ALA A 80 9.376 7.164 -10.574 1.00 0.56 H new ATOM 0 HB1 ALA A 80 10.428 8.890 -9.131 1.00 0.65 H new ATOM 0 HB2 ALA A 80 9.916 9.568 -10.695 1.00 0.65 H new ATOM 0 HB3 ALA A 80 8.944 9.868 -9.235 1.00 0.65 H new ATOM 1229 N GLU A 81 7.404 7.927 -7.988 1.00 0.54 N ATOM 1230 CA GLU A 81 6.938 7.472 -6.681 1.00 0.49 C ATOM 1231 C GLU A 81 6.484 6.029 -6.740 1.00 0.42 C ATOM 1232 O GLU A 81 6.800 5.226 -5.861 1.00 0.39 O ATOM 1233 CB GLU A 81 5.858 8.414 -6.137 1.00 0.51 C ATOM 1234 CG GLU A 81 6.462 9.318 -5.054 1.00 0.73 C ATOM 1235 CD GLU A 81 5.755 10.669 -4.932 1.00 1.73 C ATOM 1236 OE1 GLU A 81 4.572 10.754 -5.331 1.00 2.86 O ATOM 1237 OE2 GLU A 81 6.427 11.599 -4.436 1.00 2.74 O ATOM 0 H GLU A 81 6.965 8.793 -8.299 1.00 0.54 H new ATOM 0 HA GLU A 81 7.770 7.505 -5.978 1.00 0.49 H new ATOM 0 HB2 GLU A 81 5.450 9.021 -6.945 1.00 0.51 H new ATOM 0 HB3 GLU A 81 5.032 7.836 -5.723 1.00 0.51 H new ATOM 0 HG2 GLU A 81 6.417 8.804 -4.094 1.00 0.73 H new ATOM 0 HG3 GLU A 81 7.516 9.486 -5.276 1.00 0.73 H new ATOM 1244 N ARG A 82 5.815 5.677 -7.829 1.00 0.40 N ATOM 1245 CA ARG A 82 5.398 4.302 -8.009 1.00 0.35 C ATOM 1246 C ARG A 82 6.615 3.402 -8.069 1.00 0.34 C ATOM 1247 O ARG A 82 6.691 2.435 -7.324 1.00 0.29 O ATOM 1248 CB ARG A 82 4.596 4.166 -9.293 1.00 0.35 C ATOM 1249 CG ARG A 82 3.316 4.979 -9.190 1.00 0.42 C ATOM 1250 CD ARG A 82 2.810 5.263 -10.597 1.00 0.47 C ATOM 1251 NE ARG A 82 1.506 4.639 -10.840 1.00 0.62 N ATOM 1252 CZ ARG A 82 0.587 5.067 -11.707 1.00 1.47 C ATOM 1253 NH1 ARG A 82 0.677 6.287 -12.233 1.00 2.70 N ATOM 1254 NH2 ARG A 82 -0.416 4.253 -12.042 1.00 1.53 N ATOM 0 H ARG A 82 5.556 6.312 -8.584 1.00 0.40 H new ATOM 0 HA ARG A 82 4.773 4.007 -7.166 1.00 0.35 H new ATOM 0 HB2 ARG A 82 5.189 4.510 -10.141 1.00 0.35 H new ATOM 0 HB3 ARG A 82 4.358 3.118 -9.475 1.00 0.35 H new ATOM 0 HG2 ARG A 82 2.565 4.432 -8.620 1.00 0.42 H new ATOM 0 HG3 ARG A 82 3.502 5.912 -8.659 1.00 0.42 H new ATOM 0 HD2 ARG A 82 2.731 6.340 -10.745 1.00 0.47 H new ATOM 0 HD3 ARG A 82 3.532 4.893 -11.325 1.00 0.47 H new ATOM 0 HE ARG A 82 1.282 3.804 -10.299 1.00 0.62 H new ATOM 0 HH11 ARG A 82 1.451 6.898 -11.973 1.00 2.70 H new ATOM 0 HH12 ARG A 82 -0.028 6.610 -12.896 1.00 2.70 H new ATOM 0 HH21 ARG A 82 -0.472 3.319 -11.636 1.00 1.53 H new ATOM 0 HH22 ARG A 82 -1.127 4.565 -12.704 1.00 1.53 H new ATOM 1268 N LEU A 83 7.568 3.703 -8.953 1.00 0.40 N ATOM 1269 CA LEU A 83 8.794 2.929 -9.050 1.00 0.41 C ATOM 1270 C LEU A 83 9.610 2.946 -7.764 1.00 0.40 C ATOM 1271 O LEU A 83 10.363 2.001 -7.561 1.00 0.43 O ATOM 1272 CB LEU A 83 9.674 3.358 -10.231 1.00 0.48 C ATOM 1273 CG LEU A 83 9.257 2.784 -11.594 1.00 0.51 C ATOM 1274 CD1 LEU A 83 8.752 1.341 -11.529 1.00 0.50 C ATOM 1275 CD2 LEU A 83 8.180 3.631 -12.268 1.00 0.53 C ATOM 0 H LEU A 83 7.508 4.480 -9.611 1.00 0.40 H new ATOM 0 HA LEU A 83 8.464 1.905 -9.226 1.00 0.41 H new ATOM 0 HB2 LEU A 83 9.666 4.446 -10.294 1.00 0.48 H new ATOM 0 HB3 LEU A 83 10.702 3.058 -10.026 1.00 0.48 H new ATOM 0 HG LEU A 83 10.175 2.802 -12.181 1.00 0.51 H new ATOM 0 HD11 LEU A 83 8.477 1.006 -12.529 1.00 0.50 H new ATOM 0 HD12 LEU A 83 9.539 0.698 -11.135 1.00 0.50 H new ATOM 0 HD13 LEU A 83 7.880 1.290 -10.877 1.00 0.50 H new ATOM 0 HD21 LEU A 83 7.916 3.188 -13.228 1.00 0.53 H new ATOM 0 HD22 LEU A 83 7.296 3.670 -11.631 1.00 0.53 H new ATOM 0 HD23 LEU A 83 8.558 4.641 -12.426 1.00 0.53 H new ATOM 1287 N LYS A 84 9.500 3.943 -6.880 1.00 0.40 N ATOM 1288 CA LYS A 84 10.207 3.834 -5.606 1.00 0.41 C ATOM 1289 C LYS A 84 9.629 2.648 -4.848 1.00 0.35 C ATOM 1290 O LYS A 84 10.388 1.861 -4.290 1.00 0.37 O ATOM 1291 CB LYS A 84 10.117 5.113 -4.750 1.00 0.43 C ATOM 1292 CG LYS A 84 11.209 6.167 -5.015 1.00 0.51 C ATOM 1293 CD LYS A 84 10.817 7.197 -6.079 1.00 0.92 C ATOM 1294 CE LYS A 84 11.791 8.380 -6.173 1.00 0.93 C ATOM 1295 NZ LYS A 84 11.691 9.296 -5.013 1.00 1.17 N ATOM 0 H LYS A 84 8.955 4.795 -7.014 1.00 0.40 H new ATOM 0 HA LYS A 84 11.267 3.691 -5.815 1.00 0.41 H new ATOM 0 HB2 LYS A 84 9.144 5.574 -4.918 1.00 0.43 H new ATOM 0 HB3 LYS A 84 10.158 4.829 -3.698 1.00 0.43 H new ATOM 0 HG2 LYS A 84 11.436 6.686 -4.084 1.00 0.51 H new ATOM 0 HG3 LYS A 84 12.122 5.662 -5.329 1.00 0.51 H new ATOM 0 HD2 LYS A 84 10.763 6.703 -7.049 1.00 0.92 H new ATOM 0 HD3 LYS A 84 9.819 7.575 -5.857 1.00 0.92 H new ATOM 0 HE2 LYS A 84 12.811 8.001 -6.245 1.00 0.93 H new ATOM 0 HE3 LYS A 84 11.593 8.937 -7.089 1.00 0.93 H new ATOM 0 HZ1 LYS A 84 12.333 10.103 -5.151 1.00 1.17 H new ATOM 0 HZ2 LYS A 84 10.714 9.642 -4.927 1.00 1.17 H new ATOM 0 HZ3 LYS A 84 11.956 8.788 -4.145 1.00 1.17 H new ATOM 1309 N VAL A 85 8.305 2.494 -4.842 1.00 0.31 N ATOM 1310 CA VAL A 85 7.705 1.305 -4.262 1.00 0.28 C ATOM 1311 C VAL A 85 8.119 0.078 -5.050 1.00 0.30 C ATOM 1312 O VAL A 85 8.793 -0.765 -4.495 1.00 0.45 O ATOM 1313 CB VAL A 85 6.190 1.458 -4.111 1.00 0.26 C ATOM 1314 CG1 VAL A 85 5.527 0.199 -3.534 1.00 0.30 C ATOM 1315 CG2 VAL A 85 5.992 2.602 -3.131 1.00 0.36 C ATOM 0 H VAL A 85 7.642 3.167 -5.226 1.00 0.31 H new ATOM 0 HA VAL A 85 8.081 1.170 -3.248 1.00 0.28 H new ATOM 0 HB VAL A 85 5.737 1.635 -5.087 1.00 0.26 H new ATOM 0 HG11 VAL A 85 4.453 0.361 -3.447 1.00 0.30 H new ATOM 0 HG12 VAL A 85 5.714 -0.647 -4.196 1.00 0.30 H new ATOM 0 HG13 VAL A 85 5.943 -0.012 -2.549 1.00 0.30 H new ATOM 0 HG21 VAL A 85 4.926 2.767 -2.975 1.00 0.36 H new ATOM 0 HG22 VAL A 85 6.463 2.352 -2.180 1.00 0.36 H new ATOM 0 HG23 VAL A 85 6.445 3.508 -3.533 1.00 0.36 H new ATOM 1325 N GLN A 86 7.763 -0.053 -6.326 1.00 0.37 N ATOM 1326 CA GLN A 86 7.996 -1.280 -7.082 1.00 0.47 C ATOM 1327 C GLN A 86 9.437 -1.781 -6.946 1.00 0.57 C ATOM 1328 O GLN A 86 9.670 -2.984 -6.854 1.00 0.78 O ATOM 1329 CB GLN A 86 7.640 -1.047 -8.565 1.00 0.56 C ATOM 1330 CG GLN A 86 6.484 -1.921 -9.061 1.00 0.74 C ATOM 1331 CD GLN A 86 6.873 -2.750 -10.279 1.00 1.10 C ATOM 1332 OE1 GLN A 86 6.625 -2.361 -11.412 1.00 1.87 O ATOM 1333 NE2 GLN A 86 7.493 -3.903 -10.061 1.00 2.05 N ATOM 0 H GLN A 86 7.307 0.685 -6.862 1.00 0.37 H new ATOM 0 HA GLN A 86 7.353 -2.056 -6.668 1.00 0.47 H new ATOM 0 HB2 GLN A 86 7.379 0.002 -8.707 1.00 0.56 H new ATOM 0 HB3 GLN A 86 8.521 -1.242 -9.177 1.00 0.56 H new ATOM 0 HG2 GLN A 86 6.162 -2.585 -8.259 1.00 0.74 H new ATOM 0 HG3 GLN A 86 5.633 -1.288 -9.311 1.00 0.74 H new ATOM 0 HE21 GLN A 86 7.688 -4.205 -9.106 1.00 2.05 H new ATOM 0 HE22 GLN A 86 7.774 -4.488 -10.848 1.00 2.05 H new ATOM 1342 N LYS A 87 10.398 -0.856 -6.930 1.00 0.49 N ATOM 1343 CA LYS A 87 11.802 -1.125 -6.686 1.00 0.52 C ATOM 1344 C LYS A 87 12.016 -1.652 -5.267 1.00 0.56 C ATOM 1345 O LYS A 87 12.557 -2.738 -5.087 1.00 0.75 O ATOM 1346 CB LYS A 87 12.579 0.173 -6.939 1.00 0.59 C ATOM 1347 CG LYS A 87 14.072 -0.050 -6.731 1.00 0.92 C ATOM 1348 CD LYS A 87 14.893 1.196 -7.072 1.00 0.89 C ATOM 1349 CE LYS A 87 16.176 0.729 -7.762 1.00 1.96 C ATOM 1350 NZ LYS A 87 17.243 1.749 -7.715 1.00 2.02 N ATOM 0 H LYS A 87 10.206 0.132 -7.093 1.00 0.49 H new ATOM 0 HA LYS A 87 12.166 -1.902 -7.359 1.00 0.52 H new ATOM 0 HB2 LYS A 87 12.395 0.522 -7.955 1.00 0.59 H new ATOM 0 HB3 LYS A 87 12.224 0.953 -6.266 1.00 0.59 H new ATOM 0 HG2 LYS A 87 14.255 -0.332 -5.694 1.00 0.92 H new ATOM 0 HG3 LYS A 87 14.404 -0.883 -7.351 1.00 0.92 H new ATOM 0 HD2 LYS A 87 14.327 1.861 -7.725 1.00 0.89 H new ATOM 0 HD3 LYS A 87 15.127 1.760 -6.169 1.00 0.89 H new ATOM 0 HE2 LYS A 87 16.530 -0.185 -7.285 1.00 1.96 H new ATOM 0 HE3 LYS A 87 15.958 0.483 -8.801 1.00 1.96 H new ATOM 0 HZ1 LYS A 87 18.091 1.386 -8.195 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 16.918 2.614 -8.193 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 17.472 1.966 -6.724 1.00 2.02 H new ATOM 1364 N ASN A 88 11.627 -0.874 -4.257 1.00 0.43 N ATOM 1365 CA ASN A 88 11.887 -1.185 -2.852 1.00 0.42 C ATOM 1366 C ASN A 88 10.882 -2.204 -2.298 1.00 0.50 C ATOM 1367 O ASN A 88 10.909 -2.519 -1.112 1.00 0.89 O ATOM 1368 CB ASN A 88 11.834 0.103 -2.016 1.00 0.41 C ATOM 1369 CG ASN A 88 12.862 1.146 -2.450 1.00 0.61 C ATOM 1370 OD1 ASN A 88 13.788 0.868 -3.206 1.00 1.11 O ATOM 1371 ND2 ASN A 88 12.714 2.379 -1.985 1.00 0.98 N ATOM 0 H ASN A 88 11.117 -0.001 -4.393 1.00 0.43 H new ATOM 0 HA ASN A 88 12.881 -1.628 -2.788 1.00 0.42 H new ATOM 0 HB2 ASN A 88 10.836 0.534 -2.089 1.00 0.41 H new ATOM 0 HB3 ASN A 88 11.999 -0.145 -0.967 1.00 0.41 H new ATOM 0 HD21 ASN A 88 13.374 3.109 -2.255 1.00 0.98 H new ATOM 0 HD22 ASN A 88 11.940 2.598 -1.357 1.00 0.98 H new ATOM 1378 N ALA A 89 9.974 -2.692 -3.139 1.00 0.37 N ATOM 1379 CA ALA A 89 8.883 -3.584 -2.814 1.00 0.40 C ATOM 1380 C ALA A 89 8.482 -4.324 -4.089 1.00 0.37 C ATOM 1381 O ALA A 89 7.421 -4.062 -4.668 1.00 0.44 O ATOM 1382 CB ALA A 89 7.709 -2.784 -2.241 1.00 0.50 C ATOM 0 H ALA A 89 9.989 -2.454 -4.131 1.00 0.37 H new ATOM 0 HA ALA A 89 9.186 -4.307 -2.057 1.00 0.40 H new ATOM 0 HB1 ALA A 89 6.891 -3.462 -1.998 1.00 0.50 H new ATOM 0 HB2 ALA A 89 8.029 -2.264 -1.338 1.00 0.50 H new ATOM 0 HB3 ALA A 89 7.371 -2.056 -2.978 1.00 0.50 H new ATOM 1388 N PRO A 90 9.311 -5.282 -4.522 1.00 0.46 N ATOM 1389 CA PRO A 90 9.082 -6.078 -5.717 1.00 0.64 C ATOM 1390 C PRO A 90 8.094 -7.205 -5.395 1.00 0.85 C ATOM 1391 O PRO A 90 8.437 -8.382 -5.473 1.00 1.96 O ATOM 1392 CB PRO A 90 10.479 -6.594 -6.081 1.00 0.73 C ATOM 1393 CG PRO A 90 11.134 -6.795 -4.713 1.00 0.72 C ATOM 1394 CD PRO A 90 10.590 -5.614 -3.914 1.00 0.58 C ATOM 0 HA PRO A 90 8.638 -5.530 -6.548 1.00 0.64 H new ATOM 0 HB2 PRO A 90 10.432 -7.524 -6.647 1.00 0.73 H new ATOM 0 HB3 PRO A 90 11.029 -5.877 -6.691 1.00 0.73 H new ATOM 0 HG2 PRO A 90 10.857 -7.750 -4.266 1.00 0.72 H new ATOM 0 HG3 PRO A 90 12.222 -6.776 -4.777 1.00 0.72 H new ATOM 0 HD2 PRO A 90 10.468 -5.876 -2.863 1.00 0.58 H new ATOM 0 HD3 PRO A 90 11.274 -4.766 -3.954 1.00 0.58 H new ATOM 1402 N LYS A 91 6.876 -6.836 -4.980 1.00 0.56 N ATOM 1403 CA LYS A 91 5.845 -7.712 -4.433 1.00 0.51 C ATOM 1404 C LYS A 91 4.685 -6.890 -3.880 1.00 0.45 C ATOM 1405 O LYS A 91 3.568 -7.064 -4.349 1.00 0.52 O ATOM 1406 CB LYS A 91 6.398 -8.713 -3.400 1.00 0.54 C ATOM 1407 CG LYS A 91 7.326 -8.080 -2.348 1.00 1.08 C ATOM 1408 CD LYS A 91 8.658 -8.828 -2.172 1.00 1.30 C ATOM 1409 CE LYS A 91 8.692 -9.656 -0.878 1.00 1.73 C ATOM 1410 NZ LYS A 91 8.520 -11.106 -1.096 1.00 2.36 N ATOM 0 H LYS A 91 6.571 -5.863 -5.021 1.00 0.56 H new ATOM 0 HA LYS A 91 5.465 -8.322 -5.253 1.00 0.51 H new ATOM 0 HB2 LYS A 91 5.562 -9.192 -2.890 1.00 0.54 H new ATOM 0 HB3 LYS A 91 6.943 -9.497 -3.925 1.00 0.54 H new ATOM 0 HG2 LYS A 91 7.533 -7.048 -2.632 1.00 1.08 H new ATOM 0 HG3 LYS A 91 6.807 -8.049 -1.390 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.819 -9.485 -3.026 1.00 1.30 H new ATOM 0 HD3 LYS A 91 9.478 -8.110 -2.163 1.00 1.30 H new ATOM 0 HE2 LYS A 91 9.642 -9.484 -0.372 1.00 1.73 H new ATOM 0 HE3 LYS A 91 7.906 -9.302 -0.210 1.00 1.73 H new ATOM 0 HZ1 LYS A 91 8.553 -11.601 -0.182 1.00 2.36 H new ATOM 0 HZ2 LYS A 91 7.602 -11.282 -1.552 1.00 2.36 H new ATOM 0 HZ3 LYS A 91 9.283 -11.458 -1.708 1.00 2.36 H new ATOM 1424 N THR A 92 4.910 -5.966 -2.939 1.00 0.38 N ATOM 1425 CA THR A 92 3.834 -5.153 -2.363 1.00 0.34 C ATOM 1426 C THR A 92 3.038 -4.455 -3.460 1.00 0.39 C ATOM 1427 O THR A 92 1.812 -4.472 -3.461 1.00 0.43 O ATOM 1428 CB THR A 92 4.419 -4.108 -1.406 1.00 0.27 C ATOM 1429 OG1 THR A 92 5.535 -4.666 -0.754 1.00 0.30 O ATOM 1430 CG2 THR A 92 3.427 -3.599 -0.364 1.00 0.31 C ATOM 0 H THR A 92 5.834 -5.762 -2.558 1.00 0.38 H new ATOM 0 HA THR A 92 3.164 -5.813 -1.812 1.00 0.34 H new ATOM 0 HB THR A 92 4.696 -3.245 -2.011 1.00 0.27 H new ATOM 0 HG1 THR A 92 5.271 -4.977 0.137 1.00 0.30 H new ATOM 0 HG21 THR A 92 3.916 -2.863 0.275 1.00 0.31 H new ATOM 0 HG22 THR A 92 2.577 -3.136 -0.866 1.00 0.31 H new ATOM 0 HG23 THR A 92 3.078 -4.433 0.244 1.00 0.31 H new ATOM 1438 N PHE A 93 3.740 -3.855 -4.423 1.00 0.40 N ATOM 1439 CA PHE A 93 3.078 -3.182 -5.529 1.00 0.45 C ATOM 1440 C PHE A 93 2.245 -4.166 -6.314 1.00 0.46 C ATOM 1441 O PHE A 93 1.103 -3.900 -6.673 1.00 0.46 O ATOM 1442 CB PHE A 93 4.129 -2.577 -6.457 1.00 0.50 C ATOM 1443 CG PHE A 93 3.629 -1.447 -7.333 1.00 0.66 C ATOM 1444 CD1 PHE A 93 2.859 -1.714 -8.481 1.00 1.87 C ATOM 1445 CD2 PHE A 93 3.967 -0.121 -7.016 1.00 2.31 C ATOM 1446 CE1 PHE A 93 2.435 -0.657 -9.306 1.00 1.87 C ATOM 1447 CE2 PHE A 93 3.547 0.934 -7.839 1.00 2.46 C ATOM 1448 CZ PHE A 93 2.782 0.668 -8.987 1.00 1.08 C ATOM 0 H PHE A 93 4.759 -3.824 -4.455 1.00 0.40 H new ATOM 0 HA PHE A 93 2.433 -2.399 -5.129 1.00 0.45 H new ATOM 0 HB2 PHE A 93 4.958 -2.210 -5.853 1.00 0.50 H new ATOM 0 HB3 PHE A 93 4.525 -3.366 -7.097 1.00 0.50 H new ATOM 0 HD1 PHE A 93 2.594 -2.731 -8.728 1.00 1.87 H new ATOM 0 HD2 PHE A 93 4.554 0.087 -6.133 1.00 2.31 H new ATOM 0 HE1 PHE A 93 1.842 -0.863 -10.185 1.00 1.87 H new ATOM 0 HE2 PHE A 93 3.812 1.951 -7.590 1.00 2.46 H new ATOM 0 HZ PHE A 93 2.461 1.479 -9.623 1.00 1.08 H new ATOM 1458 N GLN A 94 2.863 -5.307 -6.598 1.00 0.48 N ATOM 1459 CA GLN A 94 2.258 -6.367 -7.364 1.00 0.48 C ATOM 1460 C GLN A 94 0.972 -6.841 -6.683 1.00 0.44 C ATOM 1461 O GLN A 94 0.044 -7.260 -7.364 1.00 0.45 O ATOM 1462 CB GLN A 94 3.279 -7.499 -7.536 1.00 0.55 C ATOM 1463 CG GLN A 94 3.087 -8.206 -8.877 1.00 0.96 C ATOM 1464 CD GLN A 94 4.188 -9.238 -9.102 1.00 1.18 C ATOM 1465 OE1 GLN A 94 5.368 -8.916 -9.051 1.00 1.81 O ATOM 1466 NE2 GLN A 94 3.835 -10.492 -9.352 1.00 1.45 N ATOM 0 H GLN A 94 3.814 -5.515 -6.293 1.00 0.48 H new ATOM 0 HA GLN A 94 1.977 -6.009 -8.355 1.00 0.48 H new ATOM 0 HB2 GLN A 94 4.290 -7.095 -7.474 1.00 0.55 H new ATOM 0 HB3 GLN A 94 3.172 -8.217 -6.723 1.00 0.55 H new ATOM 0 HG2 GLN A 94 2.113 -8.694 -8.901 1.00 0.96 H new ATOM 0 HG3 GLN A 94 3.096 -7.474 -9.685 1.00 0.96 H new ATOM 0 HE21 GLN A 94 2.848 -10.746 -9.391 1.00 1.45 H new ATOM 0 HE22 GLN A 94 4.551 -11.203 -9.505 1.00 1.45 H new ATOM 1475 N PHE A 95 0.920 -6.760 -5.349 1.00 0.44 N ATOM 1476 CA PHE A 95 -0.198 -7.208 -4.538 1.00 0.44 C ATOM 1477 C PHE A 95 -1.425 -6.361 -4.881 1.00 0.45 C ATOM 1478 O PHE A 95 -2.373 -6.846 -5.490 1.00 0.53 O ATOM 1479 CB PHE A 95 0.223 -7.123 -3.057 1.00 0.46 C ATOM 1480 CG PHE A 95 -0.552 -7.974 -2.079 1.00 0.54 C ATOM 1481 CD1 PHE A 95 -1.940 -8.131 -2.206 1.00 0.87 C ATOM 1482 CD2 PHE A 95 0.122 -8.575 -1.000 1.00 0.91 C ATOM 1483 CE1 PHE A 95 -2.633 -8.942 -1.294 1.00 1.02 C ATOM 1484 CE2 PHE A 95 -0.583 -9.350 -0.062 1.00 1.02 C ATOM 1485 CZ PHE A 95 -1.964 -9.541 -0.215 1.00 0.86 C ATOM 0 H PHE A 95 1.682 -6.368 -4.795 1.00 0.44 H new ATOM 0 HA PHE A 95 -0.470 -8.244 -4.739 1.00 0.44 H new ATOM 0 HB2 PHE A 95 1.275 -7.398 -2.987 1.00 0.46 H new ATOM 0 HB3 PHE A 95 0.143 -6.083 -2.740 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -2.473 -7.631 -3.001 1.00 0.87 H new ATOM 0 HD2 PHE A 95 1.188 -8.440 -0.891 1.00 0.91 H new ATOM 0 HE1 PHE A 95 -3.692 -9.107 -1.424 1.00 1.02 H new ATOM 0 HE2 PHE A 95 -0.063 -9.796 0.773 1.00 1.02 H new ATOM 0 HZ PHE A 95 -2.510 -10.146 0.494 1.00 0.86 H new ATOM 1495 N ILE A 96 -1.402 -5.078 -4.518 1.00 0.53 N ATOM 1496 CA ILE A 96 -2.465 -4.133 -4.838 1.00 0.58 C ATOM 1497 C ILE A 96 -2.797 -4.214 -6.330 1.00 0.57 C ATOM 1498 O ILE A 96 -3.965 -4.207 -6.700 1.00 0.65 O ATOM 1499 CB ILE A 96 -2.072 -2.702 -4.411 1.00 0.65 C ATOM 1500 CG1 ILE A 96 -2.046 -2.515 -2.881 1.00 0.86 C ATOM 1501 CG2 ILE A 96 -3.084 -1.669 -4.907 1.00 0.69 C ATOM 1502 CD1 ILE A 96 -0.709 -2.877 -2.249 1.00 0.71 C ATOM 0 H ILE A 96 -0.635 -4.664 -3.988 1.00 0.53 H new ATOM 0 HA ILE A 96 -3.362 -4.397 -4.278 1.00 0.58 H new ATOM 0 HB ILE A 96 -1.081 -2.559 -4.842 1.00 0.65 H new ATOM 0 HG12 ILE A 96 -2.281 -1.477 -2.645 1.00 0.86 H new ATOM 0 HG13 ILE A 96 -2.828 -3.129 -2.434 1.00 0.86 H new ATOM 0 HG21 ILE A 96 -2.774 -0.674 -4.588 1.00 0.69 H new ATOM 0 HG22 ILE A 96 -3.134 -1.702 -5.995 1.00 0.69 H new ATOM 0 HG23 ILE A 96 -4.067 -1.894 -4.492 1.00 0.69 H new ATOM 0 HD11 ILE A 96 -0.762 -2.722 -1.171 1.00 0.71 H new ATOM 0 HD12 ILE A 96 -0.481 -3.923 -2.454 1.00 0.71 H new ATOM 0 HD13 ILE A 96 0.074 -2.246 -2.668 1.00 0.71 H new ATOM 1514 N ASN A 97 -1.783 -4.283 -7.194 1.00 0.55 N ATOM 1515 CA ASN A 97 -1.985 -4.308 -8.636 1.00 0.61 C ATOM 1516 C ASN A 97 -2.804 -5.524 -9.078 1.00 0.62 C ATOM 1517 O ASN A 97 -3.584 -5.423 -10.021 1.00 0.73 O ATOM 1518 CB ASN A 97 -0.630 -4.274 -9.347 1.00 0.67 C ATOM 1519 CG ASN A 97 -0.805 -4.083 -10.845 1.00 0.69 C ATOM 1520 OD1 ASN A 97 -0.989 -2.965 -11.313 1.00 1.27 O ATOM 1521 ND2 ASN A 97 -0.718 -5.152 -11.625 1.00 1.37 N ATOM 0 H ASN A 97 -0.804 -4.323 -6.911 1.00 0.55 H new ATOM 0 HA ASN A 97 -2.558 -3.423 -8.914 1.00 0.61 H new ATOM 0 HB2 ASN A 97 -0.023 -3.464 -8.942 1.00 0.67 H new ATOM 0 HB3 ASN A 97 -0.092 -5.202 -9.156 1.00 0.67 H new ATOM 0 HD21 ASN A 97 -0.804 -5.054 -12.637 1.00 1.37 H new ATOM 0 HD22 ASN A 97 -0.565 -6.073 -11.213 1.00 1.37 H new ATOM 1528 N ASP A 98 -2.625 -6.672 -8.417 1.00 0.57 N ATOM 1529 CA ASP A 98 -3.431 -7.868 -8.646 1.00 0.66 C ATOM 1530 C ASP A 98 -4.886 -7.566 -8.348 1.00 0.73 C ATOM 1531 O ASP A 98 -5.788 -7.956 -9.088 1.00 0.84 O ATOM 1532 CB ASP A 98 -2.987 -8.999 -7.716 1.00 0.68 C ATOM 1533 CG ASP A 98 -3.486 -10.361 -8.183 1.00 1.10 C ATOM 1534 OD1 ASP A 98 -3.199 -10.705 -9.349 1.00 2.08 O ATOM 1535 OD2 ASP A 98 -4.120 -11.052 -7.353 1.00 2.12 O ATOM 0 H ASP A 98 -1.909 -6.795 -7.702 1.00 0.57 H new ATOM 0 HA ASP A 98 -3.303 -8.170 -9.686 1.00 0.66 H new ATOM 0 HB2 ASP A 98 -1.899 -9.013 -7.659 1.00 0.68 H new ATOM 0 HB3 ASP A 98 -3.357 -8.805 -6.709 1.00 0.68 H new ATOM 1540 N GLN A 99 -5.124 -6.878 -7.231 1.00 0.70 N ATOM 1541 CA GLN A 99 -6.471 -6.516 -6.859 1.00 0.85 C ATOM 1542 C GLN A 99 -6.887 -5.264 -7.635 1.00 0.92 C ATOM 1543 O GLN A 99 -6.918 -4.155 -7.102 1.00 1.54 O ATOM 1544 CB GLN A 99 -6.606 -6.328 -5.344 1.00 0.93 C ATOM 1545 CG GLN A 99 -6.858 -7.649 -4.608 1.00 1.31 C ATOM 1546 CD GLN A 99 -5.733 -8.666 -4.776 1.00 2.38 C ATOM 1547 OE1 GLN A 99 -4.771 -8.668 -4.018 1.00 3.82 O ATOM 1548 NE2 GLN A 99 -5.857 -9.554 -5.754 1.00 3.46 N ATOM 0 H GLN A 99 -4.402 -6.568 -6.581 1.00 0.70 H new ATOM 0 HA GLN A 99 -7.147 -7.329 -7.123 1.00 0.85 H new ATOM 0 HB2 GLN A 99 -5.697 -5.867 -4.956 1.00 0.93 H new ATOM 0 HB3 GLN A 99 -7.425 -5.639 -5.138 1.00 0.93 H new ATOM 0 HG2 GLN A 99 -6.995 -7.443 -3.546 1.00 1.31 H new ATOM 0 HG3 GLN A 99 -7.788 -8.086 -4.971 1.00 1.31 H new ATOM 0 HE21 GLN A 99 -6.671 -9.526 -6.369 1.00 3.46 H new ATOM 0 HE22 GLN A 99 -5.139 -10.265 -5.891 1.00 3.46 H new ATOM 1557 N ILE A 100 -7.241 -5.463 -8.905 1.00 1.35 N ATOM 1558 CA ILE A 100 -7.672 -4.416 -9.820 1.00 1.46 C ATOM 1559 C ILE A 100 -8.726 -3.534 -9.139 1.00 1.53 C ATOM 1560 O ILE A 100 -9.639 -4.043 -8.489 1.00 2.62 O ATOM 1561 CB ILE A 100 -8.156 -5.072 -11.132 1.00 2.75 C ATOM 1562 CG1 ILE A 100 -8.447 -4.051 -12.246 1.00 3.56 C ATOM 1563 CG2 ILE A 100 -9.406 -5.940 -10.920 1.00 3.96 C ATOM 1564 CD1 ILE A 100 -7.170 -3.383 -12.765 1.00 4.01 C ATOM 0 H ILE A 100 -7.234 -6.388 -9.335 1.00 1.35 H new ATOM 0 HA ILE A 100 -6.849 -3.751 -10.081 1.00 1.46 H new ATOM 0 HB ILE A 100 -7.325 -5.702 -11.449 1.00 2.75 H new ATOM 0 HG12 ILE A 100 -8.955 -4.550 -13.071 1.00 3.56 H new ATOM 0 HG13 ILE A 100 -9.127 -3.287 -11.868 1.00 3.56 H new ATOM 0 HG21 ILE A 100 -9.709 -6.380 -11.870 1.00 3.96 H new ATOM 0 HG22 ILE A 100 -9.181 -6.734 -10.208 1.00 3.96 H new ATOM 0 HG23 ILE A 100 -10.216 -5.323 -10.532 1.00 3.96 H new ATOM 0 HD11 ILE A 100 -7.425 -2.671 -13.550 1.00 4.01 H new ATOM 0 HD12 ILE A 100 -6.675 -2.860 -11.947 1.00 4.01 H new ATOM 0 HD13 ILE A 100 -6.500 -4.142 -13.168 1.00 4.01 H new ATOM 1576 N LYS A 101 -8.592 -2.207 -9.244 1.00 2.28 N ATOM 1577 CA LYS A 101 -9.455 -1.280 -8.514 1.00 3.43 C ATOM 1578 C LYS A 101 -10.894 -1.443 -9.001 1.00 2.96 C ATOM 1579 O LYS A 101 -11.285 -0.840 -9.996 1.00 3.70 O ATOM 1580 CB LYS A 101 -8.931 0.160 -8.662 1.00 5.47 C ATOM 1581 CG LYS A 101 -9.593 1.185 -7.720 1.00 7.15 C ATOM 1582 CD LYS A 101 -10.979 1.666 -8.184 1.00 8.12 C ATOM 1583 CE LYS A 101 -11.547 2.776 -7.291 1.00 9.79 C ATOM 1584 NZ LYS A 101 -10.831 4.061 -7.433 1.00 11.39 N ATOM 0 H LYS A 101 -7.891 -1.753 -9.830 1.00 2.28 H new ATOM 0 HA LYS A 101 -9.442 -1.507 -7.448 1.00 3.43 H new ATOM 0 HB2 LYS A 101 -7.856 0.162 -8.481 1.00 5.47 H new ATOM 0 HB3 LYS A 101 -9.081 0.483 -9.692 1.00 5.47 H new ATOM 0 HG2 LYS A 101 -9.688 0.742 -6.729 1.00 7.15 H new ATOM 0 HG3 LYS A 101 -8.935 2.049 -7.622 1.00 7.15 H new ATOM 0 HD2 LYS A 101 -10.909 2.030 -9.209 1.00 8.12 H new ATOM 0 HD3 LYS A 101 -11.669 0.822 -8.192 1.00 8.12 H new ATOM 0 HE2 LYS A 101 -12.599 2.925 -7.533 1.00 9.79 H new ATOM 0 HE3 LYS A 101 -11.501 2.455 -6.250 1.00 9.79 H new ATOM 0 HZ1 LYS A 101 -11.303 4.787 -6.857 1.00 11.39 H new ATOM 0 HZ2 LYS A 101 -9.848 3.948 -7.112 1.00 11.39 H new ATOM 0 HZ3 LYS A 101 -10.837 4.353 -8.431 1.00 11.39 H new ATOM 1598 N PHE A 102 -11.681 -2.236 -8.275 1.00 2.71 N ATOM 1599 CA PHE A 102 -13.048 -2.582 -8.642 1.00 3.06 C ATOM 1600 C PHE A 102 -14.057 -1.787 -7.812 1.00 2.72 C ATOM 1601 O PHE A 102 -15.172 -1.534 -8.256 1.00 3.05 O ATOM 1602 CB PHE A 102 -13.239 -4.094 -8.446 1.00 4.27 C ATOM 1603 CG PHE A 102 -14.052 -4.757 -9.536 1.00 4.96 C ATOM 1604 CD1 PHE A 102 -13.498 -4.891 -10.822 1.00 5.39 C ATOM 1605 CD2 PHE A 102 -15.336 -5.269 -9.270 1.00 5.88 C ATOM 1606 CE1 PHE A 102 -14.217 -5.541 -11.838 1.00 6.43 C ATOM 1607 CE2 PHE A 102 -16.056 -5.920 -10.287 1.00 6.88 C ATOM 1608 CZ PHE A 102 -15.497 -6.057 -11.570 1.00 7.05 C ATOM 0 H PHE A 102 -11.378 -2.662 -7.399 1.00 2.71 H new ATOM 0 HA PHE A 102 -13.223 -2.325 -9.687 1.00 3.06 H new ATOM 0 HB2 PHE A 102 -12.260 -4.570 -8.396 1.00 4.27 H new ATOM 0 HB3 PHE A 102 -13.727 -4.267 -7.487 1.00 4.27 H new ATOM 0 HD1 PHE A 102 -12.516 -4.492 -11.029 1.00 5.39 H new ATOM 0 HD2 PHE A 102 -15.768 -5.162 -8.286 1.00 5.88 H new ATOM 0 HE1 PHE A 102 -13.787 -5.644 -12.824 1.00 6.43 H new ATOM 0 HE2 PHE A 102 -17.040 -6.315 -10.083 1.00 6.88 H new ATOM 0 HZ PHE A 102 -16.051 -6.559 -12.350 1.00 7.05 H new ATOM 1618 N ILE A 103 -13.681 -1.419 -6.584 1.00 2.67 N ATOM 1619 CA ILE A 103 -14.535 -0.672 -5.672 1.00 2.49 C ATOM 1620 C ILE A 103 -14.814 0.721 -6.256 1.00 2.57 C ATOM 1621 O ILE A 103 -13.927 1.338 -6.843 1.00 3.14 O ATOM 1622 CB ILE A 103 -13.891 -0.686 -4.277 1.00 2.59 C ATOM 1623 CG1 ILE A 103 -14.811 -0.297 -3.105 1.00 2.75 C ATOM 1624 CG2 ILE A 103 -12.600 0.124 -4.270 1.00 2.81 C ATOM 1625 CD1 ILE A 103 -15.253 1.166 -3.024 1.00 4.17 C ATOM 0 H ILE A 103 -12.763 -1.637 -6.196 1.00 2.67 H new ATOM 0 HA ILE A 103 -15.517 -1.130 -5.554 1.00 2.49 H new ATOM 0 HB ILE A 103 -13.667 -1.736 -4.089 1.00 2.59 H new ATOM 0 HG12 ILE A 103 -15.705 -0.919 -3.156 1.00 2.75 H new ATOM 0 HG13 ILE A 103 -14.300 -0.548 -2.176 1.00 2.75 H new ATOM 0 HG21 ILE A 103 -12.161 0.100 -3.273 1.00 2.81 H new ATOM 0 HG22 ILE A 103 -11.898 -0.304 -4.986 1.00 2.81 H new ATOM 0 HG23 ILE A 103 -12.816 1.156 -4.547 1.00 2.81 H new ATOM 0 HD11 ILE A 103 -15.896 1.304 -2.155 1.00 4.17 H new ATOM 0 HD12 ILE A 103 -14.376 1.807 -2.932 1.00 4.17 H new ATOM 0 HD13 ILE A 103 -15.803 1.431 -3.927 1.00 4.17 H new ATOM 1637 N ILE A 104 -16.047 1.208 -6.106 1.00 2.73 N ATOM 1638 CA ILE A 104 -16.495 2.478 -6.666 1.00 2.92 C ATOM 1639 C ILE A 104 -16.534 3.505 -5.527 1.00 3.78 C ATOM 1640 O ILE A 104 -15.540 4.193 -5.307 1.00 4.85 O ATOM 1641 CB ILE A 104 -17.836 2.262 -7.403 1.00 3.60 C ATOM 1642 CG1 ILE A 104 -17.642 1.286 -8.584 1.00 4.61 C ATOM 1643 CG2 ILE A 104 -18.413 3.583 -7.936 1.00 4.44 C ATOM 1644 CD1 ILE A 104 -18.948 0.596 -8.988 1.00 5.81 C ATOM 0 H ILE A 104 -16.773 0.720 -5.582 1.00 2.73 H new ATOM 0 HA ILE A 104 -15.815 2.874 -7.420 1.00 2.92 H new ATOM 0 HB ILE A 104 -18.538 1.844 -6.682 1.00 3.60 H new ATOM 0 HG12 ILE A 104 -17.241 1.830 -9.440 1.00 4.61 H new ATOM 0 HG13 ILE A 104 -16.904 0.531 -8.311 1.00 4.61 H new ATOM 0 HG21 ILE A 104 -19.356 3.388 -8.448 1.00 4.44 H new ATOM 0 HG22 ILE A 104 -18.586 4.266 -7.105 1.00 4.44 H new ATOM 0 HG23 ILE A 104 -17.707 4.033 -8.635 1.00 4.44 H new ATOM 0 HD11 ILE A 104 -18.759 -0.080 -9.822 1.00 5.81 H new ATOM 0 HD12 ILE A 104 -19.337 0.029 -8.142 1.00 5.81 H new ATOM 0 HD13 ILE A 104 -19.679 1.347 -9.288 1.00 5.81 H new ATOM 1656 N ASN A 105 -17.646 3.554 -4.782 1.00 4.36 N ATOM 1657 CA ASN A 105 -17.937 4.478 -3.685 1.00 5.91 C ATOM 1658 C ASN A 105 -18.213 5.892 -4.199 1.00 6.16 C ATOM 1659 O ASN A 105 -17.289 6.631 -4.527 1.00 6.19 O ATOM 1660 CB ASN A 105 -16.841 4.475 -2.617 1.00 7.10 C ATOM 1661 CG ASN A 105 -17.391 5.053 -1.324 1.00 8.88 C ATOM 1662 OD1 ASN A 105 -18.131 4.380 -0.618 1.00 9.77 O ATOM 1663 ND2 ASN A 105 -17.067 6.293 -0.995 1.00 9.81 N ATOM 0 H ASN A 105 -18.416 2.904 -4.943 1.00 4.36 H new ATOM 0 HA ASN A 105 -18.847 4.118 -3.205 1.00 5.91 H new ATOM 0 HB2 ASN A 105 -16.484 3.459 -2.450 1.00 7.10 H new ATOM 0 HB3 ASN A 105 -15.987 5.062 -2.956 1.00 7.10 H new ATOM 0 HD21 ASN A 105 -17.435 6.706 -0.138 1.00 9.81 H new ATOM 0 HD22 ASN A 105 -16.449 6.836 -1.598 1.00 9.81 H new ATOM 1670 N SER A 106 -19.490 6.270 -4.258 1.00 6.99 N ATOM 1671 CA SER A 106 -19.947 7.535 -4.803 1.00 7.65 C ATOM 1672 C SER A 106 -21.270 7.857 -4.136 1.00 8.72 C ATOM 1673 O SER A 106 -21.454 9.018 -3.722 1.00 9.56 O ATOM 1674 CB SER A 106 -20.150 7.376 -6.312 1.00 7.65 C ATOM 1675 OG SER A 106 -20.915 6.209 -6.560 1.00 8.13 O ATOM 1676 OXT SER A 106 -22.071 6.896 -4.095 1.00 9.03 O ATOM 0 H SER A 106 -20.251 5.683 -3.917 1.00 6.99 H new ATOM 0 HA SER A 106 -19.226 8.333 -4.625 1.00 7.65 H new ATOM 0 HB2 SER A 106 -20.658 8.251 -6.717 1.00 7.65 H new ATOM 0 HB3 SER A 106 -19.186 7.307 -6.815 1.00 7.65 H new ATOM 0 HG SER A 106 -21.496 6.029 -5.791 1.00 8.13 H new TER 1682 SER A 106