USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 849 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 87 GLN : amide:sc= 0.991 K(o=1.5,f=-11!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -142:sc= 0.821! (180deg=-0.176) USER MOD Set 1.3: A 91 ASN : amide:sc= -0.336 K(o=1.5,f=-0.24) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.362 K(o=1.8,f=1) USER MOD Set 2.2: A 54 GLN : amide:sc= 1.4 K(o=1.8,f=-0.2) USER MOD Set 3.1: A 6 GLN : amide:sc= 0 X(o=-1.1,f=-1.4) USER MOD Set 3.2: A 66 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.51) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 1 GLN N :NH3+ -142:sc= -0.508 (180deg=-2.52!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0582 K(o=-0.058,f=-0.91) USER MOD Single : A 11 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.0011) USER MOD Single : A 14 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-3.8!) USER MOD Single : A 19 GLN : amide:sc= -0.498 K(o=-0.5,f=-1.9) USER MOD Single : A 20 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.92!) USER MOD Single : A 24 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.96) USER MOD Single : A 25 GLN : amide:sc= -0.67 X(o=-0.67,f=-1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.85 X(o=-1.8,f=-1.7!) USER MOD Single : A 35 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.45) USER MOD Single : A 39 GLN : amide:sc=-0.00426 K(o=-0.0043,f=-0.58) USER MOD Single : A 40 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00693 USER MOD Single : A 47 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.0033) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.0906 USER MOD Single : A 57 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.4!) USER MOD Single : A 63 THR OG1 : rot -110:sc= -0.714 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -29:sc= 0.341 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 77 HIS : no HE2:sc= -2.49 K(o=-2.5,f=-3.8!) USER MOD Single : A 81 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 144:sc= -0.471 USER MOD Single : A 94 ASN : amide:sc= 0.105 X(o=0.1,f=-0.26) USER MOD Single : A 97 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 98 MET CE :methyl -116:sc= -4.97! (180deg=-11!) USER MOD Single : A 99 LYS NZ :NH3+ -136:sc= -0.0157 (180deg=-0.161) USER MOD Single : A 100 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 103 THR OG1 : rot -71:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.074 -19.001 6.112 1.00 0.00 N ATOM 2 CA GLN A 1 0.067 -19.071 4.650 1.00 0.00 C ATOM 3 C GLN A 1 -1.165 -18.513 3.982 1.00 0.00 C ATOM 4 O GLN A 1 -0.978 -17.555 3.286 1.00 0.00 O ATOM 5 CB GLN A 1 0.315 -20.484 4.107 1.00 0.00 C ATOM 6 CG GLN A 1 1.704 -20.606 3.494 1.00 0.00 C ATOM 7 CD GLN A 1 2.635 -21.238 4.500 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.583 -20.920 5.679 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.402 -22.210 4.074 1.00 0.00 N ATOM 0 H1 GLN A 1 0.842 -18.753 6.538 1.00 0.00 H new ATOM 0 H2 GLN A 1 -0.778 -18.276 6.359 1.00 0.00 H new ATOM 0 H3 GLN A 1 -0.386 -19.924 6.475 1.00 0.00 H new ATOM 0 HA GLN A 1 0.951 -18.478 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 1 0.206 -21.210 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -0.438 -20.725 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.663 -21.211 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.075 -19.623 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.420 -22.448 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.981 -22.729 4.734 1.00 0.00 H new ATOM 20 N PRO A 2 -2.392 -19.048 4.154 1.00 0.00 N ATOM 21 CA PRO A 2 -3.613 -18.543 3.503 1.00 0.00 C ATOM 22 C PRO A 2 -4.035 -17.184 4.043 1.00 0.00 C ATOM 23 O PRO A 2 -3.228 -16.535 4.688 1.00 0.00 O ATOM 24 CB PRO A 2 -4.679 -19.614 3.756 1.00 0.00 C ATOM 25 CG PRO A 2 -4.163 -20.471 4.911 1.00 0.00 C ATOM 26 CD PRO A 2 -2.704 -20.111 5.091 1.00 0.00 C ATOM 0 HA PRO A 2 -3.453 -18.378 2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.636 -19.157 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.840 -20.220 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.727 -20.274 5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.277 -21.532 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.514 -19.787 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.071 -20.979 4.909 1.00 0.00 H new ATOM 34 N GLN A 3 -5.298 -16.772 3.885 1.00 0.00 N ATOM 35 CA GLN A 3 -5.820 -15.524 4.451 1.00 0.00 C ATOM 36 C GLN A 3 -5.428 -15.276 5.907 1.00 0.00 C ATOM 37 O GLN A 3 -5.337 -14.142 6.336 1.00 0.00 O ATOM 38 CB GLN A 3 -7.348 -15.542 4.439 1.00 0.00 C ATOM 39 CG GLN A 3 -7.909 -14.150 4.115 1.00 0.00 C ATOM 40 CD GLN A 3 -8.560 -14.150 2.746 1.00 0.00 C ATOM 41 OE1 GLN A 3 -7.903 -14.209 1.722 1.00 0.00 O ATOM 42 NE2 GLN A 3 -9.867 -14.104 2.709 1.00 0.00 N ATOM 0 H GLN A 3 -5.992 -17.300 3.356 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.388 -14.742 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.702 -16.262 3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.720 -15.872 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.638 -13.859 4.872 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.108 -13.412 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.400 -14.055 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.353 -14.117 1.812 1.00 0.00 H new ATOM 51 N LYS A 4 -5.175 -16.333 6.681 1.00 0.00 N ATOM 52 CA LYS A 4 -4.578 -16.220 8.014 1.00 0.00 C ATOM 53 C LYS A 4 -3.348 -15.298 8.075 1.00 0.00 C ATOM 54 O LYS A 4 -3.137 -14.672 9.106 1.00 0.00 O ATOM 55 CB LYS A 4 -4.216 -17.618 8.530 1.00 0.00 C ATOM 56 CG LYS A 4 -4.536 -17.750 10.027 1.00 0.00 C ATOM 57 CD LYS A 4 -3.268 -17.968 10.855 1.00 0.00 C ATOM 58 CE LYS A 4 -3.639 -18.323 12.299 1.00 0.00 C ATOM 59 NZ LYS A 4 -3.246 -19.716 12.630 1.00 0.00 N ATOM 0 H LYS A 4 -5.378 -17.293 6.401 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.329 -15.754 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.768 -18.372 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.156 -17.809 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.046 -16.851 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.220 -18.584 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.671 -18.768 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.654 -17.067 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.147 -17.632 12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.713 -18.202 12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.510 -19.927 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.735 -20.376 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.218 -19.823 12.517 1.00 0.00 H new ATOM 73 N CYS A 5 -2.594 -15.211 6.976 1.00 0.00 N ATOM 74 CA CYS A 5 -1.537 -14.242 6.737 1.00 0.00 C ATOM 75 C CYS A 5 -2.071 -12.835 6.881 1.00 0.00 C ATOM 76 O CYS A 5 -1.471 -12.091 7.603 1.00 0.00 O ATOM 77 CB CYS A 5 -0.869 -14.394 5.358 1.00 0.00 C ATOM 78 SG CYS A 5 -0.679 -12.830 4.470 1.00 0.00 S ATOM 0 H CYS A 5 -2.716 -15.851 6.191 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.773 -14.438 7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.112 -14.850 5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.461 -15.078 4.750 1.00 0.00 H new ATOM 83 N GLN A 6 -3.188 -12.440 6.266 1.00 0.00 N ATOM 84 CA GLN A 6 -3.775 -11.101 6.438 1.00 0.00 C ATOM 85 C GLN A 6 -3.809 -10.622 7.889 1.00 0.00 C ATOM 86 O GLN A 6 -3.686 -9.430 8.167 1.00 0.00 O ATOM 87 CB GLN A 6 -5.197 -11.045 5.846 1.00 0.00 C ATOM 88 CG GLN A 6 -5.298 -10.191 4.590 1.00 0.00 C ATOM 89 CD GLN A 6 -6.251 -9.023 4.779 1.00 0.00 C ATOM 90 OE1 GLN A 6 -5.911 -7.913 5.140 1.00 0.00 O ATOM 91 NE2 GLN A 6 -7.520 -9.236 4.517 1.00 0.00 N ATOM 0 H GLN A 6 -3.716 -13.039 5.631 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.115 -10.424 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.526 -12.058 5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.880 -10.652 6.599 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.310 -9.815 4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.638 -10.807 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.830 -10.159 4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.196 -8.479 4.618 1.00 0.00 H new ATOM 100 N ARG A 7 -3.954 -11.570 8.815 1.00 0.00 N ATOM 101 CA ARG A 7 -3.823 -11.331 10.240 1.00 0.00 C ATOM 102 C ARG A 7 -2.380 -11.346 10.728 1.00 0.00 C ATOM 103 O ARG A 7 -1.992 -10.430 11.439 1.00 0.00 O ATOM 104 CB ARG A 7 -4.636 -12.385 10.985 1.00 0.00 C ATOM 105 CG ARG A 7 -5.213 -11.737 12.245 1.00 0.00 C ATOM 106 CD ARG A 7 -5.063 -12.676 13.435 1.00 0.00 C ATOM 107 NE ARG A 7 -5.414 -11.992 14.687 1.00 0.00 N ATOM 108 CZ ARG A 7 -5.389 -12.521 15.892 1.00 0.00 C ATOM 109 NH1 ARG A 7 -5.047 -13.762 16.082 1.00 0.00 N ATOM 110 NH2 ARG A 7 -5.706 -11.813 16.931 1.00 0.00 N ATOM 0 H ARG A 7 -4.169 -12.540 8.585 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.199 -10.328 10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.437 -12.765 10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.007 -13.235 11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.699 -10.797 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.265 -11.499 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.704 -13.547 13.299 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.037 -13.040 13.490 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.704 -11.017 14.616 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.791 -14.348 15.287 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.035 -14.149 17.026 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.978 -10.836 16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.683 -12.233 17.860 1.00 0.00 H new ATOM 124 N GLU A 8 -1.612 -12.375 10.379 1.00 0.00 N ATOM 125 CA GLU A 8 -0.181 -12.477 10.703 1.00 0.00 C ATOM 126 C GLU A 8 0.692 -11.353 10.112 1.00 0.00 C ATOM 127 O GLU A 8 1.728 -10.985 10.644 1.00 0.00 O ATOM 128 CB GLU A 8 0.371 -13.844 10.278 1.00 0.00 C ATOM 129 CG GLU A 8 0.770 -14.669 11.517 1.00 0.00 C ATOM 130 CD GLU A 8 2.051 -15.471 11.284 1.00 0.00 C ATOM 131 OE1 GLU A 8 3.067 -14.862 10.905 1.00 0.00 O ATOM 132 OE2 GLU A 8 1.940 -16.715 11.414 1.00 0.00 O ATOM 0 H GLU A 8 -1.966 -13.176 9.856 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.124 -12.364 11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.380 -14.383 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.236 -13.709 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.910 -14.001 12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.041 -15.349 11.776 1.00 0.00 H new ATOM 139 N PHE A 9 0.201 -10.723 9.061 1.00 0.00 N ATOM 140 CA PHE A 9 0.834 -9.638 8.356 1.00 0.00 C ATOM 141 C PHE A 9 0.897 -8.434 9.272 1.00 0.00 C ATOM 142 O PHE A 9 1.921 -7.785 9.499 1.00 0.00 O ATOM 143 CB PHE A 9 0.008 -9.327 7.094 1.00 0.00 C ATOM 144 CG PHE A 9 0.066 -7.881 6.644 1.00 0.00 C ATOM 145 CD1 PHE A 9 -0.719 -6.881 7.252 1.00 0.00 C ATOM 146 CD2 PHE A 9 0.900 -7.532 5.587 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.523 -5.533 6.941 1.00 0.00 C ATOM 148 CE2 PHE A 9 0.989 -6.213 5.161 1.00 0.00 C ATOM 149 CZ PHE A 9 0.305 -5.209 5.861 1.00 0.00 C ATOM 0 H PHE A 9 -0.702 -10.974 8.658 1.00 0.00 H new ATOM 0 HA PHE A 9 1.848 -9.903 8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.359 -9.962 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.032 -9.594 7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.480 -7.159 7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.484 -8.294 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.000 -4.758 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.582 -5.962 4.294 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.418 -4.177 5.564 1.00 0.00 H new ATOM 159 N GLN A 10 -0.271 -8.128 9.849 1.00 0.00 N ATOM 160 CA GLN A 10 -0.409 -6.993 10.726 1.00 0.00 C ATOM 161 C GLN A 10 0.072 -7.337 12.128 1.00 0.00 C ATOM 162 O GLN A 10 0.176 -6.428 12.956 1.00 0.00 O ATOM 163 CB GLN A 10 -1.854 -6.505 10.806 1.00 0.00 C ATOM 164 CG GLN A 10 -1.891 -4.971 10.962 1.00 0.00 C ATOM 165 CD GLN A 10 -2.676 -4.469 12.170 1.00 0.00 C ATOM 166 OE1 GLN A 10 -3.494 -5.120 12.788 1.00 0.00 O ATOM 167 NE2 GLN A 10 -2.487 -3.218 12.521 1.00 0.00 N ATOM 0 H GLN A 10 -1.129 -8.662 9.714 1.00 0.00 H new ATOM 0 HA GLN A 10 0.205 -6.196 10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.395 -6.799 9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.358 -6.976 11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.868 -4.602 11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.324 -4.539 10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.807 -2.645 12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.020 -2.819 13.293 1.00 0.00 H new ATOM 176 N GLN A 11 0.371 -8.614 12.387 1.00 0.00 N ATOM 177 CA GLN A 11 0.886 -9.073 13.657 1.00 0.00 C ATOM 178 C GLN A 11 2.016 -8.170 14.108 1.00 0.00 C ATOM 179 O GLN A 11 1.944 -7.625 15.206 1.00 0.00 O ATOM 180 CB GLN A 11 1.327 -10.540 13.563 1.00 0.00 C ATOM 181 CG GLN A 11 0.964 -11.327 14.814 1.00 0.00 C ATOM 182 CD GLN A 11 2.175 -11.850 15.556 1.00 0.00 C ATOM 183 OE1 GLN A 11 2.818 -12.793 15.149 1.00 0.00 O ATOM 184 NE2 GLN A 11 2.458 -11.286 16.705 1.00 0.00 N ATOM 0 H GLN A 11 0.256 -9.360 11.701 1.00 0.00 H new ATOM 0 HA GLN A 11 0.096 -9.024 14.407 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.859 -11.004 12.695 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.405 -10.585 13.407 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.383 -10.690 15.481 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.325 -12.165 14.537 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.907 -10.493 17.033 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.229 -11.640 17.271 1.00 0.00 H new ATOM 193 N GLU A 12 2.984 -7.935 13.216 1.00 0.00 N ATOM 194 CA GLU A 12 4.231 -7.218 13.502 1.00 0.00 C ATOM 195 C GLU A 12 5.169 -7.175 12.285 1.00 0.00 C ATOM 196 O GLU A 12 6.384 -7.032 12.406 1.00 0.00 O ATOM 197 CB GLU A 12 4.920 -7.774 14.760 1.00 0.00 C ATOM 198 CG GLU A 12 4.739 -9.287 14.961 1.00 0.00 C ATOM 199 CD GLU A 12 5.965 -9.927 15.597 1.00 0.00 C ATOM 200 OE1 GLU A 12 6.223 -9.596 16.775 1.00 0.00 O ATOM 201 OE2 GLU A 12 6.630 -10.733 14.913 1.00 0.00 O ATOM 0 H GLU A 12 2.920 -8.247 12.247 1.00 0.00 H new ATOM 0 HA GLU A 12 3.969 -6.182 13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.986 -7.551 14.706 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.530 -7.253 15.634 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.868 -9.468 15.590 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.541 -9.760 13.999 1.00 0.00 H new ATOM 208 N GLN A 13 4.598 -7.196 11.082 1.00 0.00 N ATOM 209 CA GLN A 13 5.390 -7.193 9.864 1.00 0.00 C ATOM 210 C GLN A 13 4.667 -6.518 8.716 1.00 0.00 C ATOM 211 O GLN A 13 4.688 -6.955 7.587 1.00 0.00 O ATOM 212 CB GLN A 13 5.846 -8.625 9.537 1.00 0.00 C ATOM 213 CG GLN A 13 7.297 -8.568 9.058 1.00 0.00 C ATOM 214 CD GLN A 13 7.721 -9.842 8.351 1.00 0.00 C ATOM 215 OE1 GLN A 13 7.379 -10.955 8.689 1.00 0.00 O ATOM 216 NE2 GLN A 13 8.547 -9.724 7.343 1.00 0.00 N ATOM 0 H GLN A 13 3.590 -7.215 10.930 1.00 0.00 H new ATOM 0 HA GLN A 13 6.285 -6.592 10.027 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.762 -9.261 10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.209 -9.060 8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.421 -7.722 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.952 -8.393 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.851 -8.799 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.887 -10.557 6.862 1.00 0.00 H new ATOM 225 N HIS A 14 4.049 -5.374 9.004 1.00 0.00 N ATOM 226 CA HIS A 14 3.234 -4.672 8.026 1.00 0.00 C ATOM 227 C HIS A 14 4.188 -4.042 6.991 1.00 0.00 C ATOM 228 O HIS A 14 5.397 -4.287 6.927 1.00 0.00 O ATOM 229 CB HIS A 14 2.313 -3.622 8.700 1.00 0.00 C ATOM 230 CG HIS A 14 2.099 -3.747 10.188 1.00 0.00 C ATOM 231 ND1 HIS A 14 1.945 -2.694 11.061 1.00 0.00 N ATOM 232 CD2 HIS A 14 2.118 -4.890 10.926 1.00 0.00 C ATOM 233 CE1 HIS A 14 1.844 -3.211 12.306 1.00 0.00 C ATOM 234 NE2 HIS A 14 1.954 -4.551 12.243 1.00 0.00 N ATOM 0 H HIS A 14 4.101 -4.915 9.913 1.00 0.00 H new ATOM 0 HA HIS A 14 2.560 -5.366 7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.725 -2.633 8.500 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.338 -3.666 8.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.241 -5.891 10.540 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.698 -2.638 13.210 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.921 -5.196 13.032 1.00 0.00 H new ATOM 243 N LEU A 15 3.671 -3.063 6.256 1.00 0.00 N ATOM 244 CA LEU A 15 4.428 -2.365 5.233 1.00 0.00 C ATOM 245 C LEU A 15 4.629 -0.925 5.657 1.00 0.00 C ATOM 246 O LEU A 15 4.057 -0.453 6.640 1.00 0.00 O ATOM 247 CB LEU A 15 3.756 -2.528 3.859 1.00 0.00 C ATOM 248 CG LEU A 15 3.157 -3.918 3.588 1.00 0.00 C ATOM 249 CD1 LEU A 15 2.850 -4.118 2.121 1.00 0.00 C ATOM 250 CD2 LEU A 15 4.063 -5.051 4.060 1.00 0.00 C ATOM 0 H LEU A 15 2.711 -2.733 6.357 1.00 0.00 H new ATOM 0 HA LEU A 15 5.420 -2.802 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.964 -1.784 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.490 -2.308 3.084 1.00 0.00 H new ATOM 0 HG LEU A 15 2.231 -3.952 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.428 -5.112 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.132 -3.366 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.768 -4.021 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.590 -6.009 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.019 -4.993 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.227 -4.962 5.134 1.00 0.00 H new ATOM 262 N ARG A 16 5.488 -0.240 4.927 1.00 0.00 N ATOM 263 CA ARG A 16 5.909 1.132 5.190 1.00 0.00 C ATOM 264 C ARG A 16 6.069 1.818 3.881 1.00 0.00 C ATOM 265 O ARG A 16 5.094 2.392 3.465 1.00 0.00 O ATOM 266 CB ARG A 16 7.182 1.240 6.017 1.00 0.00 C ATOM 267 CG ARG A 16 8.151 0.084 5.719 1.00 0.00 C ATOM 268 CD ARG A 16 7.978 -0.984 6.802 1.00 0.00 C ATOM 269 NE ARG A 16 8.764 -2.182 6.484 1.00 0.00 N ATOM 270 CZ ARG A 16 10.066 -2.296 6.648 1.00 0.00 C ATOM 271 NH1 ARG A 16 10.771 -1.325 7.156 1.00 0.00 N ATOM 272 NH2 ARG A 16 10.680 -3.385 6.308 1.00 0.00 N ATOM 0 H ARG A 16 5.933 -0.636 4.099 1.00 0.00 H new ATOM 0 HA ARG A 16 5.140 1.610 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.673 2.190 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.929 1.239 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.947 -0.338 4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.179 0.446 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.291 -0.584 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.925 -1.249 6.893 1.00 0.00 H new ATOM 0 HE ARG A 16 8.264 -2.987 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.316 -0.456 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.778 -1.434 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.155 -4.163 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.688 -3.464 6.439 1.00 0.00 H new ATOM 286 N ALA A 17 7.228 1.769 3.240 1.00 0.00 N ATOM 287 CA ALA A 17 7.469 2.400 1.960 1.00 0.00 C ATOM 288 C ALA A 17 6.262 2.248 1.001 1.00 0.00 C ATOM 289 O ALA A 17 5.817 3.203 0.378 1.00 0.00 O ATOM 290 CB ALA A 17 8.796 1.880 1.386 1.00 0.00 C ATOM 0 H ALA A 17 8.042 1.277 3.608 1.00 0.00 H new ATOM 0 HA ALA A 17 7.570 3.477 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.985 2.351 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.608 2.120 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.738 0.799 1.257 1.00 0.00 H new ATOM 296 N CYS A 18 5.603 1.098 0.994 1.00 0.00 N ATOM 297 CA CYS A 18 4.380 0.859 0.245 1.00 0.00 C ATOM 298 C CYS A 18 3.207 1.719 0.754 1.00 0.00 C ATOM 299 O CYS A 18 2.601 2.521 0.050 1.00 0.00 O ATOM 300 CB CYS A 18 4.044 -0.626 0.315 1.00 0.00 C ATOM 301 SG CYS A 18 3.340 -1.117 -1.265 1.00 0.00 S ATOM 0 H CYS A 18 5.914 0.284 1.524 1.00 0.00 H new ATOM 0 HA CYS A 18 4.543 1.152 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.940 -1.209 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.337 -0.818 1.122 1.00 0.00 H new ATOM 306 N GLN A 19 2.924 1.617 2.042 1.00 0.00 N ATOM 307 CA GLN A 19 1.968 2.490 2.710 1.00 0.00 C ATOM 308 C GLN A 19 2.525 3.855 3.136 1.00 0.00 C ATOM 309 O GLN A 19 2.023 4.456 4.076 1.00 0.00 O ATOM 310 CB GLN A 19 1.361 1.727 3.880 1.00 0.00 C ATOM 311 CG GLN A 19 2.309 1.436 5.040 1.00 0.00 C ATOM 312 CD GLN A 19 2.257 2.470 6.165 1.00 0.00 C ATOM 313 OE1 GLN A 19 3.149 3.259 6.448 1.00 0.00 O ATOM 314 NE2 GLN A 19 1.172 2.458 6.900 1.00 0.00 N ATOM 0 H GLN A 19 3.351 0.925 2.657 1.00 0.00 H new ATOM 0 HA GLN A 19 1.199 2.751 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.513 2.296 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.968 0.780 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.071 0.455 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.328 1.383 4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.416 1.809 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.084 3.098 7.689 1.00 0.00 H new ATOM 323 N GLN A 20 3.562 4.362 2.485 1.00 0.00 N ATOM 324 CA GLN A 20 4.255 5.597 2.866 1.00 0.00 C ATOM 325 C GLN A 20 4.489 6.450 1.654 1.00 0.00 C ATOM 326 O GLN A 20 4.276 7.653 1.712 1.00 0.00 O ATOM 327 CB GLN A 20 5.608 5.342 3.523 1.00 0.00 C ATOM 328 CG GLN A 20 5.471 4.988 5.012 1.00 0.00 C ATOM 329 CD GLN A 20 6.379 5.805 5.893 1.00 0.00 C ATOM 330 OE1 GLN A 20 6.526 6.994 5.736 1.00 0.00 O ATOM 331 NE2 GLN A 20 6.949 5.188 6.904 1.00 0.00 N ATOM 0 H GLN A 20 3.959 3.920 1.656 1.00 0.00 H new ATOM 0 HA GLN A 20 3.609 6.097 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.115 4.529 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.234 6.228 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.437 5.140 5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.693 3.930 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.819 4.184 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.522 5.713 7.565 1.00 0.00 H new ATOM 340 N TRP A 21 4.823 5.830 0.528 1.00 0.00 N ATOM 341 CA TRP A 21 4.898 6.560 -0.721 1.00 0.00 C ATOM 342 C TRP A 21 3.558 7.220 -1.003 1.00 0.00 C ATOM 343 O TRP A 21 3.488 8.331 -1.473 1.00 0.00 O ATOM 344 CB TRP A 21 5.301 5.621 -1.855 1.00 0.00 C ATOM 345 CG TRP A 21 4.218 4.820 -2.476 1.00 0.00 C ATOM 346 CD1 TRP A 21 3.936 3.533 -2.225 1.00 0.00 C ATOM 347 CD2 TRP A 21 3.221 5.262 -3.425 1.00 0.00 C ATOM 348 NE1 TRP A 21 2.813 3.154 -2.931 1.00 0.00 N ATOM 349 CE2 TRP A 21 2.366 4.175 -3.739 1.00 0.00 C ATOM 350 CE3 TRP A 21 2.943 6.507 -4.007 1.00 0.00 C ATOM 351 CZ2 TRP A 21 1.301 4.326 -4.633 1.00 0.00 C ATOM 352 CZ3 TRP A 21 1.891 6.667 -4.919 1.00 0.00 C ATOM 353 CH2 TRP A 21 1.102 5.561 -5.255 1.00 0.00 C ATOM 0 H TRP A 21 5.043 4.836 0.459 1.00 0.00 H new ATOM 0 HA TRP A 21 5.658 7.338 -0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 21 5.775 6.215 -2.636 1.00 0.00 H new ATOM 0 HB3 TRP A 21 6.057 4.934 -1.475 1.00 0.00 H new ATOM 0 HD1 TRP A 21 4.503 2.890 -1.569 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.372 2.237 -2.863 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.552 7.360 -3.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.640 3.497 -4.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 1.691 7.633 -5.358 1.00 0.00 H new ATOM 0 HH2 TRP A 21 0.330 5.663 -6.004 1.00 0.00 H new ATOM 364 N ILE A 22 2.442 6.585 -0.680 1.00 0.00 N ATOM 365 CA ILE A 22 1.132 7.194 -0.924 1.00 0.00 C ATOM 366 C ILE A 22 0.921 8.397 -0.010 1.00 0.00 C ATOM 367 O ILE A 22 0.337 9.405 -0.399 1.00 0.00 O ATOM 368 CB ILE A 22 0.045 6.163 -0.657 1.00 0.00 C ATOM 369 CG1 ILE A 22 0.261 4.926 -1.517 1.00 0.00 C ATOM 370 CG2 ILE A 22 -1.319 6.788 -0.963 1.00 0.00 C ATOM 371 CD1 ILE A 22 -0.607 3.741 -1.132 1.00 0.00 C ATOM 0 H ILE A 22 2.410 5.659 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 22 1.086 7.529 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 22 0.083 5.859 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.065 5.182 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.308 4.631 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.105 6.057 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.472 7.658 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.352 7.095 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.391 2.902 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.396 3.455 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.658 4.015 -1.224 1.00 0.00 H new ATOM 383 N ARG A 23 1.481 8.322 1.201 1.00 0.00 N ATOM 384 CA ARG A 23 1.570 9.461 2.102 1.00 0.00 C ATOM 385 C ARG A 23 2.464 10.590 1.596 1.00 0.00 C ATOM 386 O ARG A 23 2.378 11.705 2.080 1.00 0.00 O ATOM 387 CB ARG A 23 2.008 9.038 3.500 1.00 0.00 C ATOM 388 CG ARG A 23 0.838 8.607 4.376 1.00 0.00 C ATOM 389 CD ARG A 23 0.787 7.085 4.415 1.00 0.00 C ATOM 390 NE ARG A 23 0.704 6.594 5.804 1.00 0.00 N ATOM 391 CZ ARG A 23 1.713 6.472 6.641 1.00 0.00 C ATOM 392 NH1 ARG A 23 2.922 6.827 6.319 1.00 0.00 N ATOM 393 NH2 ARG A 23 1.492 6.027 7.838 1.00 0.00 N ATOM 0 H ARG A 23 1.885 7.465 1.579 1.00 0.00 H new ATOM 0 HA ARG A 23 0.557 9.861 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.720 8.216 3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.530 9.866 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.954 9.006 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.096 9.006 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.075 6.732 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.675 6.675 3.933 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.218 6.325 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.111 7.213 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.681 6.719 6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.545 5.776 8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.265 5.928 8.496 1.00 0.00 H new ATOM 407 N GLN A 24 3.234 10.382 0.541 1.00 0.00 N ATOM 408 CA GLN A 24 3.987 11.460 -0.069 1.00 0.00 C ATOM 409 C GLN A 24 3.058 12.513 -0.705 1.00 0.00 C ATOM 410 O GLN A 24 3.487 13.590 -1.067 1.00 0.00 O ATOM 411 CB GLN A 24 4.965 10.837 -1.069 1.00 0.00 C ATOM 412 CG GLN A 24 4.372 10.698 -2.494 1.00 0.00 C ATOM 413 CD GLN A 24 5.142 9.748 -3.420 1.00 0.00 C ATOM 414 OE1 GLN A 24 5.869 8.821 -3.098 1.00 0.00 O ATOM 415 NE2 GLN A 24 4.979 9.949 -4.703 1.00 0.00 N ATOM 0 H GLN A 24 3.353 9.475 0.090 1.00 0.00 H new ATOM 0 HA GLN A 24 4.553 12.007 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.866 11.448 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.265 9.853 -0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.343 10.348 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.337 11.685 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.382 10.710 -5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.449 9.345 -5.378 1.00 0.00 H new ATOM 424 N GLN A 25 1.768 12.236 -0.875 1.00 0.00 N ATOM 425 CA GLN A 25 0.852 13.247 -1.403 1.00 0.00 C ATOM 426 C GLN A 25 0.495 14.297 -0.335 1.00 0.00 C ATOM 427 O GLN A 25 -0.029 15.368 -0.642 1.00 0.00 O ATOM 428 CB GLN A 25 -0.347 12.500 -2.006 1.00 0.00 C ATOM 429 CG GLN A 25 -1.640 13.319 -2.057 1.00 0.00 C ATOM 430 CD GLN A 25 -1.530 14.570 -2.931 1.00 0.00 C ATOM 431 OE1 GLN A 25 -0.688 14.710 -3.803 1.00 0.00 O ATOM 432 NE2 GLN A 25 -2.414 15.518 -2.736 1.00 0.00 N ATOM 0 H GLN A 25 1.337 11.337 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 25 1.313 13.839 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.091 12.183 -3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.526 11.596 -1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.446 12.690 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.915 13.615 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.123 15.413 -2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.393 16.361 -3.310 1.00 0.00 H new ATOM 441 N LEU A 26 0.742 14.005 0.937 1.00 0.00 N ATOM 442 CA LEU A 26 0.325 14.859 2.025 1.00 0.00 C ATOM 443 C LEU A 26 1.575 15.275 2.778 1.00 0.00 C ATOM 444 O LEU A 26 2.610 14.614 2.739 1.00 0.00 O ATOM 445 CB LEU A 26 -0.779 14.182 2.872 1.00 0.00 C ATOM 446 CG LEU A 26 -1.535 12.996 2.220 1.00 0.00 C ATOM 447 CD1 LEU A 26 -0.948 11.686 2.704 1.00 0.00 C ATOM 448 CD2 LEU A 26 -3.017 12.994 2.533 1.00 0.00 C ATOM 0 H LEU A 26 1.239 13.166 1.236 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.157 15.771 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.327 13.828 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.511 14.942 3.145 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.417 13.111 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.483 10.855 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.106 11.636 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.044 11.623 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.490 12.140 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.161 12.925 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.468 13.916 2.165 1.00 0.00 H new ATOM 460 N ALA A 27 1.465 16.378 3.509 1.00 0.00 N ATOM 461 CA ALA A 27 2.562 16.810 4.366 1.00 0.00 C ATOM 462 C ALA A 27 2.965 15.734 5.394 1.00 0.00 C ATOM 463 O ALA A 27 4.074 15.770 5.913 1.00 0.00 O ATOM 464 CB ALA A 27 2.130 18.087 5.082 1.00 0.00 C ATOM 0 H ALA A 27 0.642 16.981 3.527 1.00 0.00 H new ATOM 0 HA ALA A 27 3.440 16.989 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.936 18.431 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.903 18.858 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.242 17.885 5.682 1.00 0.00 H new ATOM 470 N GLY A 28 2.068 14.788 5.694 1.00 0.00 N ATOM 471 CA GLY A 28 2.329 13.648 6.561 1.00 0.00 C ATOM 472 C GLY A 28 3.003 12.518 5.810 1.00 0.00 C ATOM 473 O GLY A 28 2.377 11.969 4.920 1.00 0.00 O ATOM 0 H GLY A 28 1.116 14.800 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.960 13.960 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.391 13.293 6.988 1.00 0.00 H new ATOM 477 N SER A 29 4.218 12.142 6.208 1.00 0.00 N ATOM 478 CA SER A 29 5.122 11.165 5.560 1.00 0.00 C ATOM 479 C SER A 29 6.559 11.386 6.025 1.00 0.00 C ATOM 480 O SER A 29 7.148 10.449 6.546 1.00 0.00 O ATOM 481 CB SER A 29 5.072 11.193 4.012 1.00 0.00 C ATOM 482 OG SER A 29 6.322 11.071 3.364 1.00 0.00 O ATOM 0 H SER A 29 4.636 12.535 7.052 1.00 0.00 H new ATOM 0 HA SER A 29 4.765 10.182 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.425 10.385 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.608 12.128 3.697 1.00 0.00 H new ATOM 0 HG SER A 29 6.191 11.097 2.393 1.00 0.00 H new ATOM 488 N PRO A 30 7.143 12.585 5.843 1.00 0.00 N ATOM 489 CA PRO A 30 8.496 12.860 6.269 1.00 0.00 C ATOM 490 C PRO A 30 8.560 13.035 7.785 1.00 0.00 C ATOM 491 O PRO A 30 7.591 13.416 8.441 1.00 0.00 O ATOM 492 CB PRO A 30 8.907 14.135 5.528 1.00 0.00 C ATOM 493 CG PRO A 30 7.610 14.805 5.072 1.00 0.00 C ATOM 494 CD PRO A 30 6.531 13.759 5.252 1.00 0.00 C ATOM 0 HA PRO A 30 9.175 12.039 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.478 14.796 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.544 13.901 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.398 15.694 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.678 15.124 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.735 14.138 5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.077 13.511 4.293 1.00 0.00 H new ATOM 502 N PHE A 31 9.749 12.809 8.332 1.00 0.00 N ATOM 503 CA PHE A 31 10.010 12.867 9.773 1.00 0.00 C ATOM 504 C PHE A 31 11.173 13.787 10.118 1.00 0.00 C ATOM 505 O PHE A 31 11.597 13.838 11.269 1.00 0.00 O ATOM 506 CB PHE A 31 10.262 11.457 10.316 1.00 0.00 C ATOM 507 CG PHE A 31 9.493 10.350 9.633 1.00 0.00 C ATOM 508 CD1 PHE A 31 8.097 10.275 9.785 1.00 0.00 C ATOM 509 CD2 PHE A 31 10.175 9.444 8.795 1.00 0.00 C ATOM 510 CE1 PHE A 31 7.385 9.257 9.136 1.00 0.00 C ATOM 511 CE2 PHE A 31 9.461 8.438 8.128 1.00 0.00 C ATOM 512 CZ PHE A 31 8.073 8.346 8.318 1.00 0.00 C ATOM 0 H PHE A 31 10.575 12.576 7.781 1.00 0.00 H new ATOM 0 HA PHE A 31 9.124 13.287 10.248 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.327 11.240 10.234 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.015 11.446 11.378 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.577 10.997 10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.244 9.525 8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.316 9.174 9.264 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.972 7.744 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.523 7.558 7.825 1.00 0.00 H new ATOM 522 N SER A 32 11.685 14.502 9.119 1.00 0.00 N ATOM 523 CA SER A 32 12.863 15.356 9.199 1.00 0.00 C ATOM 524 C SER A 32 13.162 15.924 7.821 1.00 0.00 C ATOM 525 O SER A 32 12.373 15.728 6.899 1.00 0.00 O ATOM 526 CB SER A 32 14.072 14.584 9.760 1.00 0.00 C ATOM 527 OG SER A 32 14.194 13.307 9.157 1.00 0.00 O ATOM 0 H SER A 32 11.268 14.500 8.188 1.00 0.00 H new ATOM 0 HA SER A 32 12.664 16.178 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.983 15.157 9.589 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.964 14.470 10.839 1.00 0.00 H new ATOM 0 HG SER A 32 14.971 12.841 9.532 1.00 0.00 H new ATOM 533 N GLU A 33 14.267 16.663 7.710 1.00 0.00 N ATOM 534 CA GLU A 33 14.783 17.266 6.481 1.00 0.00 C ATOM 535 C GLU A 33 14.772 16.281 5.312 1.00 0.00 C ATOM 536 O GLU A 33 15.692 15.483 5.120 1.00 0.00 O ATOM 537 CB GLU A 33 16.199 17.812 6.688 1.00 0.00 C ATOM 538 CG GLU A 33 16.259 18.844 7.815 1.00 0.00 C ATOM 539 CD GLU A 33 17.569 19.637 7.767 1.00 0.00 C ATOM 540 OE1 GLU A 33 18.640 18.988 7.749 1.00 0.00 O ATOM 541 OE2 GLU A 33 17.476 20.883 7.758 1.00 0.00 O ATOM 0 H GLU A 33 14.856 16.867 8.517 1.00 0.00 H new ATOM 0 HA GLU A 33 14.117 18.092 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.875 16.988 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.551 18.267 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.414 19.527 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.170 18.341 8.778 1.00 0.00 H new ATOM 548 N ASN A 34 13.676 16.295 4.560 1.00 0.00 N ATOM 549 CA ASN A 34 13.410 15.379 3.476 1.00 0.00 C ATOM 550 C ASN A 34 12.162 15.845 2.721 1.00 0.00 C ATOM 551 O ASN A 34 11.254 16.453 3.290 1.00 0.00 O ATOM 552 CB ASN A 34 13.232 13.939 4.028 1.00 0.00 C ATOM 553 CG ASN A 34 13.143 12.882 2.951 1.00 0.00 C ATOM 554 OD1 ASN A 34 12.143 12.678 2.301 1.00 0.00 O ATOM 555 ND2 ASN A 34 14.223 12.202 2.658 1.00 0.00 N ATOM 0 H ASN A 34 12.927 16.972 4.701 1.00 0.00 H new ATOM 0 HA ASN A 34 14.252 15.366 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.069 13.705 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.329 13.902 4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.207 11.521 1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.081 12.353 3.189 1.00 0.00 H new ATOM 562 N GLN A 35 12.132 15.550 1.430 1.00 0.00 N ATOM 563 CA GLN A 35 10.993 15.820 0.578 1.00 0.00 C ATOM 564 C GLN A 35 9.942 14.711 0.634 1.00 0.00 C ATOM 565 O GLN A 35 9.768 14.003 1.616 1.00 0.00 O ATOM 566 CB GLN A 35 11.490 16.180 -0.847 1.00 0.00 C ATOM 567 CG GLN A 35 10.785 17.435 -1.362 1.00 0.00 C ATOM 568 CD GLN A 35 10.953 18.620 -0.412 1.00 0.00 C ATOM 569 OE1 GLN A 35 12.020 19.159 -0.206 1.00 0.00 O ATOM 570 NE2 GLN A 35 9.882 19.032 0.230 1.00 0.00 N ATOM 0 H GLN A 35 12.912 15.110 0.942 1.00 0.00 H new ATOM 0 HA GLN A 35 10.456 16.691 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.568 16.342 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.302 15.347 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.183 17.697 -2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.724 17.225 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.982 18.583 0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.951 19.801 0.897 1.00 0.00 H new ATOM 579 N TRP A 36 9.180 14.608 -0.441 1.00 0.00 N ATOM 580 CA TRP A 36 8.244 13.516 -0.625 1.00 0.00 C ATOM 581 C TRP A 36 8.427 12.920 -2.004 1.00 0.00 C ATOM 582 O TRP A 36 8.315 11.706 -2.166 1.00 0.00 O ATOM 583 CB TRP A 36 6.832 14.058 -0.404 1.00 0.00 C ATOM 584 CG TRP A 36 6.070 14.417 -1.649 1.00 0.00 C ATOM 585 CD1 TRP A 36 5.799 13.609 -2.703 1.00 0.00 C ATOM 586 CD2 TRP A 36 5.429 15.675 -1.969 1.00 0.00 C ATOM 587 NE1 TRP A 36 5.069 14.275 -3.652 1.00 0.00 N ATOM 588 CE2 TRP A 36 4.789 15.550 -3.236 1.00 0.00 C ATOM 589 CE3 TRP A 36 5.316 16.902 -1.299 1.00 0.00 C ATOM 590 CZ2 TRP A 36 4.061 16.588 -3.810 1.00 0.00 C ATOM 591 CZ3 TRP A 36 4.600 17.967 -1.870 1.00 0.00 C ATOM 592 CH2 TRP A 36 3.972 17.810 -3.121 1.00 0.00 C ATOM 0 H TRP A 36 9.194 15.279 -1.209 1.00 0.00 H new ATOM 0 HA TRP A 36 8.421 12.715 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.259 13.313 0.149 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.897 14.944 0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.116 12.580 -2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.775 13.877 -4.544 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.784 17.029 -0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.574 16.457 -4.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.531 18.910 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.420 18.632 -3.553 1.00 0.00 H new ATOM 603 N GLY A 37 8.582 13.796 -3.018 1.00 0.00 N ATOM 604 CA GLY A 37 8.595 13.404 -4.414 1.00 0.00 C ATOM 605 C GLY A 37 9.705 12.390 -4.639 1.00 0.00 C ATOM 606 O GLY A 37 10.519 12.151 -3.741 1.00 0.00 O ATOM 0 H GLY A 37 8.701 14.799 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.632 12.975 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.750 14.277 -5.048 1.00 0.00 H new ATOM 610 N PRO A 38 9.801 11.815 -5.840 1.00 0.00 N ATOM 611 CA PRO A 38 10.857 10.867 -6.160 1.00 0.00 C ATOM 612 C PRO A 38 12.234 11.555 -6.293 1.00 0.00 C ATOM 613 O PRO A 38 12.921 11.432 -7.296 1.00 0.00 O ATOM 614 CB PRO A 38 10.387 10.181 -7.444 1.00 0.00 C ATOM 615 CG PRO A 38 9.368 11.134 -8.078 1.00 0.00 C ATOM 616 CD PRO A 38 8.968 12.122 -6.987 1.00 0.00 C ATOM 0 HA PRO A 38 11.017 10.137 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.224 9.998 -8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.935 9.213 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.801 11.653 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.499 10.587 -8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.122 13.150 -7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.911 12.022 -6.739 1.00 0.00 H new ATOM 624 N GLN A 39 12.657 12.278 -5.266 1.00 0.00 N ATOM 625 CA GLN A 39 13.917 12.979 -5.169 1.00 0.00 C ATOM 626 C GLN A 39 14.611 12.665 -3.857 1.00 0.00 C ATOM 627 O GLN A 39 15.802 12.374 -3.843 1.00 0.00 O ATOM 628 CB GLN A 39 13.656 14.478 -5.333 1.00 0.00 C ATOM 629 CG GLN A 39 14.893 15.269 -4.896 1.00 0.00 C ATOM 630 CD GLN A 39 15.034 16.620 -5.564 1.00 0.00 C ATOM 631 OE1 GLN A 39 14.159 17.135 -6.235 1.00 0.00 O ATOM 632 NE2 GLN A 39 16.179 17.230 -5.395 1.00 0.00 N ATOM 0 H GLN A 39 12.088 12.394 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 39 14.589 12.649 -5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.417 14.704 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.794 14.774 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.856 15.412 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 39 15.783 14.677 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.910 16.795 -4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.341 18.140 -5.826 1.00 0.00 H new ATOM 641 N GLN A 40 13.872 12.718 -2.754 1.00 0.00 N ATOM 642 CA GLN A 40 14.454 12.415 -1.456 1.00 0.00 C ATOM 643 C GLN A 40 14.187 10.980 -1.011 1.00 0.00 C ATOM 644 O GLN A 40 14.966 10.431 -0.240 1.00 0.00 O ATOM 645 CB GLN A 40 13.881 13.377 -0.431 1.00 0.00 C ATOM 646 CG GLN A 40 15.012 14.113 0.301 1.00 0.00 C ATOM 647 CD GLN A 40 15.288 15.453 -0.332 1.00 0.00 C ATOM 648 OE1 GLN A 40 14.808 16.477 0.100 1.00 0.00 O ATOM 649 NE2 GLN A 40 16.047 15.480 -1.395 1.00 0.00 N ATOM 0 H GLN A 40 12.882 12.965 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 40 15.535 12.527 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.228 14.098 -0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.269 12.831 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.742 14.251 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.917 13.506 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.450 14.615 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.237 16.366 -1.864 1.00 0.00 H new ATOM 658 N GLY A 41 13.099 10.383 -1.504 1.00 0.00 N ATOM 659 CA GLY A 41 12.763 8.980 -1.292 1.00 0.00 C ATOM 660 C GLY A 41 12.211 8.379 -2.585 1.00 0.00 C ATOM 661 O GLY A 41 11.067 7.957 -2.637 1.00 0.00 O ATOM 0 H GLY A 41 12.413 10.877 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.648 8.429 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.026 8.890 -0.494 1.00 0.00 H new ATOM 665 N PRO A 42 12.977 8.335 -3.684 1.00 0.00 N ATOM 666 CA PRO A 42 12.508 7.684 -4.906 1.00 0.00 C ATOM 667 C PRO A 42 12.454 6.159 -4.775 1.00 0.00 C ATOM 668 O PRO A 42 11.708 5.493 -5.495 1.00 0.00 O ATOM 669 CB PRO A 42 13.490 8.129 -5.987 1.00 0.00 C ATOM 670 CG PRO A 42 14.747 8.611 -5.251 1.00 0.00 C ATOM 671 CD PRO A 42 14.361 8.759 -3.788 1.00 0.00 C ATOM 0 HA PRO A 42 11.483 7.970 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 42 13.725 7.306 -6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.064 8.928 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 42 15.562 7.897 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 42 15.095 9.560 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.003 8.148 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.477 9.792 -3.458 1.00 0.00 H new ATOM 679 N SER A 43 13.207 5.598 -3.826 1.00 0.00 N ATOM 680 CA SER A 43 13.276 4.163 -3.552 1.00 0.00 C ATOM 681 C SER A 43 12.081 3.735 -2.700 1.00 0.00 C ATOM 682 O SER A 43 12.186 3.390 -1.523 1.00 0.00 O ATOM 683 CB SER A 43 14.600 3.793 -2.865 1.00 0.00 C ATOM 684 OG SER A 43 15.617 4.730 -3.164 1.00 0.00 O ATOM 0 H SER A 43 13.804 6.148 -3.208 1.00 0.00 H new ATOM 0 HA SER A 43 13.238 3.628 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.451 3.747 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.913 2.799 -3.186 1.00 0.00 H new ATOM 0 HG SER A 43 16.446 4.469 -2.711 1.00 0.00 H new ATOM 690 N LEU A 44 10.898 3.784 -3.299 1.00 0.00 N ATOM 691 CA LEU A 44 9.652 3.412 -2.644 1.00 0.00 C ATOM 692 C LEU A 44 8.879 2.478 -3.538 1.00 0.00 C ATOM 693 O LEU A 44 8.381 1.481 -3.056 1.00 0.00 O ATOM 694 CB LEU A 44 8.833 4.668 -2.342 1.00 0.00 C ATOM 695 CG LEU A 44 9.195 5.307 -0.983 1.00 0.00 C ATOM 696 CD1 LEU A 44 9.035 6.820 -0.958 1.00 0.00 C ATOM 697 CD2 LEU A 44 8.309 4.780 0.111 1.00 0.00 C ATOM 0 H LEU A 44 10.776 4.087 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 44 9.866 2.904 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.991 5.399 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.773 4.415 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 44 10.243 5.048 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.307 7.198 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.685 7.267 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.999 7.080 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.584 5.245 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.269 5.012 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.431 3.700 0.189 1.00 0.00 H new ATOM 709 N ARG A 45 8.808 2.762 -4.840 1.00 0.00 N ATOM 710 CA ARG A 45 8.149 1.860 -5.791 1.00 0.00 C ATOM 711 C ARG A 45 8.892 0.566 -5.969 1.00 0.00 C ATOM 712 O ARG A 45 8.269 -0.477 -5.933 1.00 0.00 O ATOM 713 CB ARG A 45 7.979 2.541 -7.148 1.00 0.00 C ATOM 714 CG ARG A 45 7.178 3.836 -7.040 1.00 0.00 C ATOM 715 CD ARG A 45 5.996 3.716 -6.057 1.00 0.00 C ATOM 716 NE ARG A 45 5.001 4.759 -6.308 1.00 0.00 N ATOM 717 CZ ARG A 45 5.188 6.053 -6.154 1.00 0.00 C ATOM 718 NH1 ARG A 45 6.273 6.524 -5.607 1.00 0.00 N ATOM 719 NH2 ARG A 45 4.283 6.895 -6.539 1.00 0.00 N ATOM 0 H ARG A 45 9.197 3.606 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 45 7.171 1.626 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.960 2.756 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.477 1.860 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.837 4.641 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.801 4.110 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.533 2.734 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.360 3.794 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 45 4.082 4.457 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.001 5.886 -5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.394 7.531 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.420 6.557 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.433 7.896 -6.417 1.00 0.00 H new ATOM 733 N GLU A 46 10.208 0.643 -6.081 1.00 0.00 N ATOM 734 CA GLU A 46 11.055 -0.544 -6.214 1.00 0.00 C ATOM 735 C GLU A 46 11.262 -1.220 -4.865 1.00 0.00 C ATOM 736 O GLU A 46 11.393 -2.440 -4.783 1.00 0.00 O ATOM 737 CB GLU A 46 12.410 -0.137 -6.788 1.00 0.00 C ATOM 738 CG GLU A 46 12.244 0.400 -8.212 1.00 0.00 C ATOM 739 CD GLU A 46 13.601 0.724 -8.834 1.00 0.00 C ATOM 740 OE1 GLU A 46 14.341 1.506 -8.193 1.00 0.00 O ATOM 741 OE2 GLU A 46 13.858 0.209 -9.941 1.00 0.00 O ATOM 0 H GLU A 46 10.723 1.523 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 46 10.560 -1.249 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.866 0.625 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.083 -0.994 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.725 -0.337 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.623 1.296 -8.197 1.00 0.00 H new ATOM 748 N GLN A 47 11.217 -0.425 -3.791 1.00 0.00 N ATOM 749 CA GLN A 47 11.342 -0.962 -2.453 1.00 0.00 C ATOM 750 C GLN A 47 10.082 -1.666 -2.040 1.00 0.00 C ATOM 751 O GLN A 47 10.198 -2.799 -1.630 1.00 0.00 O ATOM 752 CB GLN A 47 11.612 0.130 -1.436 1.00 0.00 C ATOM 753 CG GLN A 47 12.891 -0.157 -0.633 1.00 0.00 C ATOM 754 CD GLN A 47 12.759 0.306 0.812 1.00 0.00 C ATOM 755 OE1 GLN A 47 13.252 -0.296 1.748 1.00 0.00 O ATOM 756 NE2 GLN A 47 12.051 1.384 1.048 1.00 0.00 N ATOM 0 H GLN A 47 11.095 0.587 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 47 12.180 -1.659 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.708 1.089 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.764 0.214 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.104 -1.226 -0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.737 0.346 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.632 1.899 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.919 1.708 2.006 1.00 0.00 H new ATOM 765 N CYS A 48 8.907 -1.041 -2.163 1.00 0.00 N ATOM 766 CA CYS A 48 7.627 -1.688 -1.897 1.00 0.00 C ATOM 767 C CYS A 48 7.461 -2.907 -2.746 1.00 0.00 C ATOM 768 O CYS A 48 7.001 -3.894 -2.204 1.00 0.00 O ATOM 769 CB CYS A 48 6.420 -0.756 -2.062 1.00 0.00 C ATOM 770 SG CYS A 48 4.871 -1.621 -2.506 1.00 0.00 S ATOM 0 H CYS A 48 8.821 -0.067 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 48 7.652 -1.977 -0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.266 -0.209 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.646 -0.018 -2.832 1.00 0.00 H new ATOM 775 N CYS A 49 7.923 -2.887 -3.995 1.00 0.00 N ATOM 776 CA CYS A 49 7.923 -4.064 -4.865 1.00 0.00 C ATOM 777 C CYS A 49 8.676 -5.266 -4.244 1.00 0.00 C ATOM 778 O CYS A 49 8.576 -6.377 -4.741 1.00 0.00 O ATOM 779 CB CYS A 49 8.556 -3.731 -6.216 1.00 0.00 C ATOM 780 SG CYS A 49 7.611 -4.155 -7.703 1.00 0.00 S ATOM 0 H CYS A 49 8.309 -2.052 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 49 6.879 -4.349 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.759 -2.660 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.519 -4.239 -6.272 1.00 0.00 H new ATOM 785 N ASN A 50 9.445 -5.055 -3.170 1.00 0.00 N ATOM 786 CA ASN A 50 10.145 -6.064 -2.373 1.00 0.00 C ATOM 787 C ASN A 50 9.677 -6.142 -0.920 1.00 0.00 C ATOM 788 O ASN A 50 9.519 -7.219 -0.362 1.00 0.00 O ATOM 789 CB ASN A 50 11.635 -5.718 -2.362 1.00 0.00 C ATOM 790 CG ASN A 50 12.390 -6.702 -3.206 1.00 0.00 C ATOM 791 OD1 ASN A 50 13.135 -7.534 -2.723 1.00 0.00 O ATOM 792 ND2 ASN A 50 12.191 -6.639 -4.495 1.00 0.00 N ATOM 0 H ASN A 50 9.604 -4.113 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 50 9.933 -7.029 -2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.786 -4.708 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.014 -5.735 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.664 -7.295 -5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.562 -5.934 -4.880 1.00 0.00 H new ATOM 799 N GLU A 51 9.465 -4.999 -0.279 1.00 0.00 N ATOM 800 CA GLU A 51 8.946 -4.888 1.075 1.00 0.00 C ATOM 801 C GLU A 51 7.542 -5.495 1.180 1.00 0.00 C ATOM 802 O GLU A 51 7.079 -5.753 2.285 1.00 0.00 O ATOM 803 CB GLU A 51 8.915 -3.410 1.510 1.00 0.00 C ATOM 804 CG GLU A 51 7.474 -2.868 1.610 1.00 0.00 C ATOM 805 CD GLU A 51 7.434 -1.390 1.729 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.109 -0.729 0.932 1.00 0.00 O ATOM 807 OE2 GLU A 51 6.651 -0.899 2.573 1.00 0.00 O ATOM 0 H GLU A 51 9.657 -4.092 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 51 9.608 -5.445 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.410 -3.306 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.480 -2.810 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.911 -3.174 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.980 -3.313 2.474 1.00 0.00 H new ATOM 814 N LEU A 52 6.834 -5.650 0.059 1.00 0.00 N ATOM 815 CA LEU A 52 5.532 -6.285 0.028 1.00 0.00 C ATOM 816 C LEU A 52 5.678 -7.759 -0.407 1.00 0.00 C ATOM 817 O LEU A 52 4.737 -8.530 -0.331 1.00 0.00 O ATOM 818 CB LEU A 52 4.630 -5.377 -0.834 1.00 0.00 C ATOM 819 CG LEU A 52 4.451 -5.779 -2.300 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.708 -6.248 -3.062 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.370 -6.847 -2.329 1.00 0.00 C ATOM 0 H LEU A 52 7.158 -5.333 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 52 5.047 -6.370 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.645 -5.336 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.038 -4.367 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 52 4.182 -4.872 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.439 -6.501 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.449 -5.449 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.126 -7.126 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.204 -7.169 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.685 -7.700 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.445 -6.439 -1.923 1.00 0.00 H new ATOM 833 N TYR A 53 6.888 -8.164 -0.801 1.00 0.00 N ATOM 834 CA TYR A 53 7.238 -9.476 -1.347 1.00 0.00 C ATOM 835 C TYR A 53 7.988 -10.313 -0.307 1.00 0.00 C ATOM 836 O TYR A 53 8.546 -11.366 -0.610 1.00 0.00 O ATOM 837 CB TYR A 53 8.093 -9.269 -2.611 1.00 0.00 C ATOM 838 CG TYR A 53 7.570 -9.967 -3.843 1.00 0.00 C ATOM 839 CD1 TYR A 53 7.592 -11.367 -3.917 1.00 0.00 C ATOM 840 CD2 TYR A 53 7.101 -9.217 -4.934 1.00 0.00 C ATOM 841 CE1 TYR A 53 7.129 -12.005 -5.081 1.00 0.00 C ATOM 842 CE2 TYR A 53 6.664 -9.854 -6.104 1.00 0.00 C ATOM 843 CZ TYR A 53 6.599 -11.258 -6.142 1.00 0.00 C ATOM 844 OH TYR A 53 6.072 -11.906 -7.213 1.00 0.00 O ATOM 0 H TYR A 53 7.698 -7.547 -0.743 1.00 0.00 H new ATOM 0 HA TYR A 53 6.331 -10.021 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.162 -8.201 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.105 -9.622 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.962 -11.950 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.077 -8.139 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.182 -13.081 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.380 -9.272 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 53 5.705 -12.768 -6.926 1.00 0.00 H new ATOM 854 N GLN A 54 8.043 -9.823 0.929 1.00 0.00 N ATOM 855 CA GLN A 54 8.703 -10.494 2.043 1.00 0.00 C ATOM 856 C GLN A 54 7.717 -11.328 2.838 1.00 0.00 C ATOM 857 O GLN A 54 8.079 -12.383 3.343 1.00 0.00 O ATOM 858 CB GLN A 54 9.389 -9.481 2.961 1.00 0.00 C ATOM 859 CG GLN A 54 8.454 -8.352 3.386 1.00 0.00 C ATOM 860 CD GLN A 54 9.019 -7.455 4.474 1.00 0.00 C ATOM 861 OE1 GLN A 54 9.694 -7.828 5.421 1.00 0.00 O ATOM 862 NE2 GLN A 54 8.738 -6.185 4.414 1.00 0.00 N ATOM 0 H GLN A 54 7.621 -8.931 1.188 1.00 0.00 H new ATOM 0 HA GLN A 54 9.461 -11.157 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.762 -9.993 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.254 -9.059 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.218 -7.742 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.516 -8.784 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.177 -5.823 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.079 -5.553 5.138 1.00 0.00 H new ATOM 871 N GLU A 55 6.464 -10.889 2.908 1.00 0.00 N ATOM 872 CA GLU A 55 5.419 -11.615 3.614 1.00 0.00 C ATOM 873 C GLU A 55 4.807 -12.702 2.739 1.00 0.00 C ATOM 874 O GLU A 55 3.737 -13.197 3.048 1.00 0.00 O ATOM 875 CB GLU A 55 4.387 -10.629 4.130 1.00 0.00 C ATOM 876 CG GLU A 55 5.003 -9.691 5.142 1.00 0.00 C ATOM 877 CD GLU A 55 3.901 -8.802 5.617 1.00 0.00 C ATOM 878 OE1 GLU A 55 3.176 -9.208 6.542 1.00 0.00 O ATOM 879 OE2 GLU A 55 3.738 -7.757 4.957 1.00 0.00 O ATOM 0 H GLU A 55 6.147 -10.021 2.477 1.00 0.00 H new ATOM 0 HA GLU A 55 5.852 -12.133 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.977 -10.056 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.557 -11.169 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.439 -10.247 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.806 -9.108 4.692 1.00 0.00 H new ATOM 886 N ASP A 56 5.471 -13.087 1.649 1.00 0.00 N ATOM 887 CA ASP A 56 5.020 -14.068 0.663 1.00 0.00 C ATOM 888 C ASP A 56 4.056 -13.399 -0.335 1.00 0.00 C ATOM 889 O ASP A 56 3.777 -12.201 -0.302 1.00 0.00 O ATOM 890 CB ASP A 56 4.339 -15.263 1.382 1.00 0.00 C ATOM 891 CG ASP A 56 4.350 -16.593 0.648 1.00 0.00 C ATOM 892 OD1 ASP A 56 4.660 -16.592 -0.564 1.00 0.00 O ATOM 893 OD2 ASP A 56 3.874 -17.580 1.250 1.00 0.00 O ATOM 0 H ASP A 56 6.387 -12.702 1.418 1.00 0.00 H new ATOM 0 HA ASP A 56 5.877 -14.448 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.826 -15.402 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.302 -14.994 1.584 1.00 0.00 H new ATOM 898 N GLN A 57 3.439 -14.202 -1.191 1.00 0.00 N ATOM 899 CA GLN A 57 2.401 -13.756 -2.114 1.00 0.00 C ATOM 900 C GLN A 57 1.033 -13.693 -1.465 1.00 0.00 C ATOM 901 O GLN A 57 0.121 -12.970 -1.860 1.00 0.00 O ATOM 902 CB GLN A 57 2.394 -14.693 -3.321 1.00 0.00 C ATOM 903 CG GLN A 57 3.182 -14.071 -4.456 1.00 0.00 C ATOM 904 CD GLN A 57 4.581 -13.719 -4.018 1.00 0.00 C ATOM 905 OE1 GLN A 57 4.857 -12.646 -3.530 1.00 0.00 O ATOM 906 NE2 GLN A 57 5.481 -14.660 -4.129 1.00 0.00 N ATOM 0 H GLN A 57 3.648 -15.198 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 57 2.628 -12.737 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.828 -15.655 -3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.369 -14.884 -3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.224 -14.764 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.672 -13.175 -4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.231 -15.558 -4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.433 -14.496 -3.802 1.00 0.00 H new ATOM 915 N VAL A 58 0.840 -14.460 -0.415 1.00 0.00 N ATOM 916 CA VAL A 58 -0.428 -14.491 0.299 1.00 0.00 C ATOM 917 C VAL A 58 -0.609 -13.274 1.190 1.00 0.00 C ATOM 918 O VAL A 58 -1.729 -13.023 1.627 1.00 0.00 O ATOM 919 CB VAL A 58 -0.572 -15.794 1.077 1.00 0.00 C ATOM 920 CG1 VAL A 58 -2.041 -16.270 0.986 1.00 0.00 C ATOM 921 CG2 VAL A 58 0.393 -16.898 0.580 1.00 0.00 C ATOM 0 H VAL A 58 1.552 -15.080 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.229 -14.452 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.302 -15.600 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.156 -17.202 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.697 -15.511 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.307 -16.433 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.246 -17.803 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.191 -17.113 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.423 -16.557 0.689 1.00 0.00 H new ATOM 931 N CYS A 59 0.432 -12.445 1.289 1.00 0.00 N ATOM 932 CA CYS A 59 0.473 -11.176 1.993 1.00 0.00 C ATOM 933 C CYS A 59 0.701 -10.003 1.038 1.00 0.00 C ATOM 934 O CYS A 59 0.930 -8.870 1.440 1.00 0.00 O ATOM 935 CB CYS A 59 1.513 -11.234 3.075 1.00 0.00 C ATOM 936 SG CYS A 59 1.287 -12.511 4.362 1.00 0.00 S ATOM 0 H CYS A 59 1.325 -12.663 0.847 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.498 -11.002 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.484 -11.392 2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.550 -10.261 3.564 1.00 0.00 H new ATOM 941 N VAL A 60 0.478 -10.249 -0.251 1.00 0.00 N ATOM 942 CA VAL A 60 0.534 -9.211 -1.271 1.00 0.00 C ATOM 943 C VAL A 60 -0.804 -8.546 -1.455 1.00 0.00 C ATOM 944 O VAL A 60 -0.875 -7.417 -1.897 1.00 0.00 O ATOM 945 CB VAL A 60 1.044 -9.818 -2.585 1.00 0.00 C ATOM 946 CG1 VAL A 60 0.503 -9.055 -3.808 1.00 0.00 C ATOM 947 CG2 VAL A 60 2.561 -9.894 -2.480 1.00 0.00 C ATOM 0 H VAL A 60 0.253 -11.175 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 60 1.227 -8.435 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 60 0.668 -10.829 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.885 -9.513 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.586 -9.096 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.827 -8.015 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.968 -10.321 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.966 -8.893 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.836 -10.523 -1.633 1.00 0.00 H new ATOM 957 N CYS A 61 -1.886 -9.249 -1.151 1.00 0.00 N ATOM 958 CA CYS A 61 -3.234 -8.741 -1.268 1.00 0.00 C ATOM 959 C CYS A 61 -4.262 -9.828 -0.880 1.00 0.00 C ATOM 960 O CYS A 61 -3.981 -11.024 -1.022 1.00 0.00 O ATOM 961 CB CYS A 61 -3.526 -8.215 -2.675 1.00 0.00 C ATOM 962 SG CYS A 61 -3.470 -6.415 -2.821 1.00 0.00 S ATOM 0 H CYS A 61 -1.844 -10.209 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.324 -7.904 -0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.805 -8.647 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.512 -8.563 -2.983 1.00 0.00 H new ATOM 967 N PRO A 62 -5.449 -9.391 -0.415 1.00 0.00 N ATOM 968 CA PRO A 62 -5.743 -7.990 -0.130 1.00 0.00 C ATOM 969 C PRO A 62 -5.017 -7.482 1.105 1.00 0.00 C ATOM 970 O PRO A 62 -5.241 -6.366 1.506 1.00 0.00 O ATOM 971 CB PRO A 62 -7.241 -7.868 0.051 1.00 0.00 C ATOM 972 CG PRO A 62 -7.683 -9.277 0.437 1.00 0.00 C ATOM 973 CD PRO A 62 -6.524 -10.225 0.092 1.00 0.00 C ATOM 0 HA PRO A 62 -5.393 -7.376 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.492 -7.145 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.728 -7.534 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.920 -9.329 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.586 -9.559 -0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.202 -10.781 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.831 -10.959 -0.654 1.00 0.00 H new ATOM 981 N THR A 63 -4.107 -8.239 1.680 1.00 0.00 N ATOM 982 CA THR A 63 -3.200 -7.856 2.758 1.00 0.00 C ATOM 983 C THR A 63 -2.585 -6.473 2.633 1.00 0.00 C ATOM 984 O THR A 63 -2.619 -5.704 3.588 1.00 0.00 O ATOM 985 CB THR A 63 -2.086 -8.896 2.837 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.536 -10.092 2.213 1.00 0.00 O ATOM 987 CG2 THR A 63 -1.703 -9.208 4.261 1.00 0.00 C ATOM 0 H THR A 63 -3.966 -9.207 1.391 1.00 0.00 H new ATOM 0 HA THR A 63 -3.805 -7.817 3.664 1.00 0.00 H new ATOM 0 HB THR A 63 -1.208 -8.490 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.675 -10.784 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.907 -9.953 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.354 -8.299 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.570 -9.598 4.794 1.00 0.00 H new ATOM 995 N LEU A 64 -2.130 -6.089 1.438 1.00 0.00 N ATOM 996 CA LEU A 64 -1.689 -4.721 1.176 1.00 0.00 C ATOM 997 C LEU A 64 -2.721 -3.673 1.568 1.00 0.00 C ATOM 998 O LEU A 64 -2.362 -2.690 2.208 1.00 0.00 O ATOM 999 CB LEU A 64 -1.367 -4.574 -0.311 1.00 0.00 C ATOM 1000 CG LEU A 64 0.044 -4.028 -0.558 1.00 0.00 C ATOM 1001 CD1 LEU A 64 0.704 -4.782 -1.695 1.00 0.00 C ATOM 1002 CD2 LEU A 64 0.005 -2.530 -0.867 1.00 0.00 C ATOM 0 H LEU A 64 -2.058 -6.712 0.634 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.806 -4.547 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.468 -5.544 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.096 -3.908 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 64 0.630 -4.172 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.706 -4.386 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.770 -5.840 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.112 -4.664 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.019 -2.167 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.597 -2.358 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.434 -1.996 -0.024 1.00 0.00 H new ATOM 1014 N LYS A 65 -4.009 -3.923 1.279 1.00 0.00 N ATOM 1015 CA LYS A 65 -5.153 -3.111 1.730 1.00 0.00 C ATOM 1016 C LYS A 65 -5.049 -2.785 3.220 1.00 0.00 C ATOM 1017 O LYS A 65 -5.451 -1.701 3.635 1.00 0.00 O ATOM 1018 CB LYS A 65 -6.492 -3.822 1.443 1.00 0.00 C ATOM 1019 CG LYS A 65 -7.681 -2.917 1.736 1.00 0.00 C ATOM 1020 CD LYS A 65 -8.407 -3.330 3.028 1.00 0.00 C ATOM 1021 CE LYS A 65 -9.512 -4.350 2.729 1.00 0.00 C ATOM 1022 NZ LYS A 65 -9.167 -5.703 3.231 1.00 0.00 N ATOM 0 H LYS A 65 -4.292 -4.719 0.708 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.126 -2.178 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.522 -4.136 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.563 -4.725 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.340 -1.886 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.379 -2.951 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.692 -3.757 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.838 -2.450 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.444 -4.020 3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.683 -4.395 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.939 -6.363 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.291 -6.029 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.028 -5.666 4.261 1.00 0.00 H new ATOM 1036 N GLN A 66 -4.555 -3.716 4.039 1.00 0.00 N ATOM 1037 CA GLN A 66 -4.299 -3.498 5.459 1.00 0.00 C ATOM 1038 C GLN A 66 -3.302 -2.383 5.748 1.00 0.00 C ATOM 1039 O GLN A 66 -3.652 -1.406 6.411 1.00 0.00 O ATOM 1040 CB GLN A 66 -3.793 -4.783 6.141 1.00 0.00 C ATOM 1041 CG GLN A 66 -4.276 -4.910 7.583 1.00 0.00 C ATOM 1042 CD GLN A 66 -5.805 -4.853 7.630 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -6.576 -5.731 7.293 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -6.347 -3.694 7.901 1.00 0.00 N ATOM 0 H GLN A 66 -4.319 -4.658 3.726 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.264 -3.197 5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.129 -5.649 5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.703 -4.794 6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.926 -5.849 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.855 -4.107 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.760 -2.912 8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.357 -3.573 7.823 1.00 0.00 H new ATOM 1053 N ALA A 67 -2.068 -2.497 5.259 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.110 -1.394 5.318 1.00 0.00 C ATOM 1055 C ALA A 67 -1.648 -0.130 4.630 1.00 0.00 C ATOM 1056 O ALA A 67 -1.350 0.976 5.079 1.00 0.00 O ATOM 1057 CB ALA A 67 0.224 -1.860 4.733 1.00 0.00 C ATOM 0 H ALA A 67 -1.708 -3.343 4.817 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.951 -1.111 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.944 -1.043 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.600 -2.704 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.080 -2.166 3.697 1.00 0.00 H new ATOM 1063 N ALA A 68 -2.557 -0.291 3.661 1.00 0.00 N ATOM 1064 CA ALA A 68 -3.247 0.785 2.963 1.00 0.00 C ATOM 1065 C ALA A 68 -4.379 1.398 3.819 1.00 0.00 C ATOM 1066 O ALA A 68 -4.956 2.448 3.523 1.00 0.00 O ATOM 1067 CB ALA A 68 -3.784 0.272 1.626 1.00 0.00 C ATOM 0 H ALA A 68 -2.839 -1.215 3.333 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.529 1.583 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.300 1.080 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.955 -0.083 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.480 -0.547 1.804 1.00 0.00 H new ATOM 1073 N LYS A 69 -4.716 0.757 4.937 1.00 0.00 N ATOM 1074 CA LYS A 69 -5.726 1.238 5.868 1.00 0.00 C ATOM 1075 C LYS A 69 -5.170 2.349 6.733 1.00 0.00 C ATOM 1076 O LYS A 69 -5.831 3.373 6.828 1.00 0.00 O ATOM 1077 CB LYS A 69 -6.237 0.092 6.742 1.00 0.00 C ATOM 1078 CG LYS A 69 -7.689 0.337 7.156 1.00 0.00 C ATOM 1079 CD LYS A 69 -8.628 -0.289 6.125 1.00 0.00 C ATOM 1080 CE LYS A 69 -10.057 -0.406 6.672 1.00 0.00 C ATOM 1081 NZ LYS A 69 -10.464 -1.824 6.832 1.00 0.00 N ATOM 0 H LYS A 69 -4.287 -0.123 5.222 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.561 1.635 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.162 -0.849 6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.611 -0.003 7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.875 -0.093 8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.880 1.407 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.632 0.316 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.260 -1.277 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.122 0.103 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.749 0.098 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.434 -1.867 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.425 -2.303 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.818 -2.298 7.495 1.00 0.00 H new ATOM 1095 N SER A 70 -3.973 2.167 7.296 1.00 0.00 N ATOM 1096 CA SER A 70 -3.228 3.209 8.034 1.00 0.00 C ATOM 1097 C SER A 70 -2.464 4.159 7.104 1.00 0.00 C ATOM 1098 O SER A 70 -1.763 5.078 7.538 1.00 0.00 O ATOM 1099 CB SER A 70 -2.244 2.552 9.002 1.00 0.00 C ATOM 1100 OG SER A 70 -1.691 3.494 9.892 1.00 0.00 O ATOM 0 H SER A 70 -3.478 1.276 7.255 1.00 0.00 H new ATOM 0 HA SER A 70 -3.963 3.802 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.753 1.771 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.445 2.069 8.439 1.00 0.00 H new ATOM 0 HG SER A 70 -1.659 4.373 9.460 1.00 0.00 H new ATOM 1106 N VAL A 71 -2.610 3.978 5.793 1.00 0.00 N ATOM 1107 CA VAL A 71 -2.025 4.894 4.810 1.00 0.00 C ATOM 1108 C VAL A 71 -2.630 6.305 4.898 1.00 0.00 C ATOM 1109 O VAL A 71 -2.135 7.275 4.348 1.00 0.00 O ATOM 1110 CB VAL A 71 -2.173 4.266 3.415 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -2.833 5.137 2.405 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -0.872 3.842 2.783 1.00 0.00 C ATOM 0 H VAL A 71 -3.130 3.202 5.383 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.965 5.032 5.024 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.798 3.403 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.893 4.609 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.838 5.390 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.253 6.051 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.068 3.410 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.221 4.709 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.385 3.100 3.416 1.00 0.00 H new ATOM 1122 N ARG A 72 -3.745 6.429 5.602 1.00 0.00 N ATOM 1123 CA ARG A 72 -4.466 7.673 5.802 1.00 0.00 C ATOM 1124 C ARG A 72 -4.180 8.164 7.191 1.00 0.00 C ATOM 1125 O ARG A 72 -3.264 8.944 7.380 1.00 0.00 O ATOM 1126 CB ARG A 72 -5.945 7.479 5.481 1.00 0.00 C ATOM 1127 CG ARG A 72 -6.422 6.030 5.596 1.00 0.00 C ATOM 1128 CD ARG A 72 -7.927 5.906 5.479 1.00 0.00 C ATOM 1129 NE ARG A 72 -8.353 4.508 5.586 1.00 0.00 N ATOM 1130 CZ ARG A 72 -9.550 4.104 5.960 1.00 0.00 C ATOM 1131 NH1 ARG A 72 -10.497 4.940 6.268 1.00 0.00 N ATOM 1132 NH2 ARG A 72 -9.836 2.840 6.009 1.00 0.00 N ATOM 0 H ARG A 72 -4.187 5.636 6.066 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.131 8.452 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.537 8.100 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.136 7.834 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.949 5.432 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.100 5.619 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.405 6.496 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.255 6.317 4.524 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.668 3.790 5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.325 5.944 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.412 4.591 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.131 2.147 5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.766 2.538 6.300 1.00 0.00 H new ATOM 1146 N VAL A 73 -4.986 7.710 8.136 1.00 0.00 N ATOM 1147 CA VAL A 73 -4.942 8.070 9.542 1.00 0.00 C ATOM 1148 C VAL A 73 -5.477 6.878 10.324 1.00 0.00 C ATOM 1149 O VAL A 73 -6.079 5.979 9.723 1.00 0.00 O ATOM 1150 CB VAL A 73 -5.720 9.403 9.743 1.00 0.00 C ATOM 1151 CG1 VAL A 73 -6.212 9.658 11.169 1.00 0.00 C ATOM 1152 CG2 VAL A 73 -4.812 10.576 9.330 1.00 0.00 C ATOM 0 H VAL A 73 -5.730 7.043 7.930 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.937 8.269 9.913 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.612 9.319 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.741 10.610 11.206 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.886 8.856 11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.360 9.690 11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.347 11.516 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.914 10.576 9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.531 10.467 8.282 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.242 6.885 11.639 1.00 0.00 N ATOM 1163 CA GLN A 74 -5.834 5.965 12.611 1.00 0.00 C ATOM 1164 C GLN A 74 -7.335 5.771 12.387 1.00 0.00 C ATOM 1165 O GLN A 74 -7.975 6.478 11.596 1.00 0.00 O ATOM 1166 CB GLN A 74 -5.538 6.458 14.048 1.00 0.00 C ATOM 1167 CG GLN A 74 -4.176 5.936 14.515 1.00 0.00 C ATOM 1168 CD GLN A 74 -4.306 4.567 15.171 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -4.906 3.646 14.637 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.764 4.412 16.354 1.00 0.00 N ATOM 0 H GLN A 74 -4.609 7.558 12.071 1.00 0.00 H new ATOM 0 HA GLN A 74 -5.375 4.987 12.470 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.547 7.548 14.076 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.319 6.115 14.726 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.497 5.872 13.665 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.736 6.640 15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.265 5.186 16.792 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.841 3.517 16.837 1.00 0.00 H new ATOM 1179 N GLY A 75 -7.915 4.814 13.111 1.00 0.00 N ATOM 1180 CA GLY A 75 -9.349 4.516 13.054 1.00 0.00 C ATOM 1181 C GLY A 75 -10.225 5.620 13.660 1.00 0.00 C ATOM 1182 O GLY A 75 -10.993 5.364 14.575 1.00 0.00 O ATOM 0 H GLY A 75 -7.400 4.218 13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.639 4.361 12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.540 3.581 13.581 1.00 0.00 H new ATOM 1186 N GLN A 76 -10.110 6.839 13.136 1.00 0.00 N ATOM 1187 CA GLN A 76 -10.799 8.053 13.541 1.00 0.00 C ATOM 1188 C GLN A 76 -10.958 9.034 12.365 1.00 0.00 C ATOM 1189 O GLN A 76 -11.203 10.225 12.530 1.00 0.00 O ATOM 1190 CB GLN A 76 -10.025 8.698 14.711 1.00 0.00 C ATOM 1191 CG GLN A 76 -10.920 8.711 15.956 1.00 0.00 C ATOM 1192 CD GLN A 76 -10.817 9.999 16.754 1.00 0.00 C ATOM 1193 OE1 GLN A 76 -9.815 10.690 16.793 1.00 0.00 O ATOM 1194 NE2 GLN A 76 -11.890 10.372 17.408 1.00 0.00 N ATOM 0 H GLN A 76 -9.479 7.012 12.353 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.807 7.799 13.870 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.111 8.139 14.911 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.727 9.714 14.451 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.956 8.561 15.652 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.651 7.872 16.597 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.731 9.796 17.378 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.884 11.238 17.947 1.00 0.00 H new ATOM 1203 N HIS A 77 -10.764 8.542 11.135 1.00 0.00 N ATOM 1204 CA HIS A 77 -10.940 9.341 9.932 1.00 0.00 C ATOM 1205 C HIS A 77 -12.381 9.208 9.429 1.00 0.00 C ATOM 1206 O HIS A 77 -13.338 9.297 10.179 1.00 0.00 O ATOM 1207 CB HIS A 77 -9.843 8.977 8.913 1.00 0.00 C ATOM 1208 CG HIS A 77 -9.662 10.083 7.899 1.00 0.00 C ATOM 1209 ND1 HIS A 77 -9.642 11.434 8.203 1.00 0.00 N ATOM 1210 CD2 HIS A 77 -9.537 9.945 6.544 1.00 0.00 C ATOM 1211 CE1 HIS A 77 -9.491 12.113 7.052 1.00 0.00 C ATOM 1212 NE2 HIS A 77 -9.429 11.234 6.034 1.00 0.00 N ATOM 0 H HIS A 77 -10.481 7.579 10.954 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.809 10.405 10.130 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.902 8.798 9.434 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -10.107 8.050 8.403 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -9.727 11.842 9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.525 9.022 5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -9.430 13.187 6.959 1.00 0.00 H new ATOM 1221 N GLY A 78 -12.530 8.971 8.137 1.00 0.00 N ATOM 1222 CA GLY A 78 -13.811 8.830 7.484 1.00 0.00 C ATOM 1223 C GLY A 78 -13.636 8.606 5.985 1.00 0.00 C ATOM 1224 O GLY A 78 -12.509 8.324 5.536 1.00 0.00 O ATOM 0 H GLY A 78 -11.740 8.869 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.356 7.992 7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.411 9.724 7.655 1.00 0.00 H new ATOM 1228 N PRO A 79 -14.743 8.676 5.231 1.00 0.00 N ATOM 1229 CA PRO A 79 -14.766 8.484 3.790 1.00 0.00 C ATOM 1230 C PRO A 79 -14.149 9.678 3.071 1.00 0.00 C ATOM 1231 O PRO A 79 -14.780 10.711 2.909 1.00 0.00 O ATOM 1232 CB PRO A 79 -16.234 8.288 3.418 1.00 0.00 C ATOM 1233 CG PRO A 79 -17.052 8.832 4.591 1.00 0.00 C ATOM 1234 CD PRO A 79 -16.069 9.006 5.744 1.00 0.00 C ATOM 0 HA PRO A 79 -14.173 7.621 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.476 8.818 2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.454 7.234 3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.522 9.781 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.852 8.143 4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.093 10.029 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.333 8.354 6.577 1.00 0.00 H new ATOM 1242 N PHE A 80 -12.874 9.560 2.712 1.00 0.00 N ATOM 1243 CA PHE A 80 -12.144 10.647 2.054 1.00 0.00 C ATOM 1244 C PHE A 80 -10.853 10.126 1.455 1.00 0.00 C ATOM 1245 O PHE A 80 -10.576 10.231 0.267 1.00 0.00 O ATOM 1246 CB PHE A 80 -11.826 11.740 3.101 1.00 0.00 C ATOM 1247 CG PHE A 80 -12.360 13.101 2.739 1.00 0.00 C ATOM 1248 CD1 PHE A 80 -11.627 13.929 1.868 1.00 0.00 C ATOM 1249 CD2 PHE A 80 -13.583 13.541 3.279 1.00 0.00 C ATOM 1250 CE1 PHE A 80 -12.119 15.203 1.544 1.00 0.00 C ATOM 1251 CE2 PHE A 80 -14.080 14.810 2.946 1.00 0.00 C ATOM 1252 CZ PHE A 80 -13.344 15.640 2.082 1.00 0.00 C ATOM 0 H PHE A 80 -12.319 8.718 2.866 1.00 0.00 H new ATOM 0 HA PHE A 80 -12.757 11.062 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.242 11.441 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.745 11.806 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.691 13.586 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.139 12.902 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.558 15.847 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -15.023 15.147 3.351 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.721 16.620 1.829 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.034 9.552 2.334 1.00 0.00 N ATOM 1263 CA GLN A 81 -8.736 9.061 1.931 1.00 0.00 C ATOM 1264 C GLN A 81 -8.900 7.724 1.291 1.00 0.00 C ATOM 1265 O GLN A 81 -8.591 7.649 0.126 1.00 0.00 O ATOM 1266 CB GLN A 81 -7.804 8.932 3.095 1.00 0.00 C ATOM 1267 CG GLN A 81 -7.527 10.277 3.743 1.00 0.00 C ATOM 1268 CD GLN A 81 -6.146 10.824 3.482 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -5.512 10.560 2.486 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -5.658 11.591 4.421 1.00 0.00 N ATOM 0 H GLN A 81 -10.252 9.420 3.322 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.306 9.778 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.234 8.254 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.866 8.488 2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.263 10.997 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.670 10.184 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.214 11.798 5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.721 11.983 4.324 1.00 0.00 H new ATOM 1279 N SER A 82 -9.445 6.723 2.001 1.00 0.00 N ATOM 1280 CA SER A 82 -9.758 5.391 1.467 1.00 0.00 C ATOM 1281 C SER A 82 -10.318 5.432 0.051 1.00 0.00 C ATOM 1282 O SER A 82 -9.962 4.587 -0.745 1.00 0.00 O ATOM 1283 CB SER A 82 -10.740 4.625 2.349 1.00 0.00 C ATOM 1284 OG SER A 82 -11.836 5.448 2.693 1.00 0.00 O ATOM 0 H SER A 82 -9.686 6.822 2.987 1.00 0.00 H new ATOM 0 HA SER A 82 -8.799 4.872 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.094 3.737 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.236 4.282 3.253 1.00 0.00 H new ATOM 0 HG SER A 82 -12.459 4.944 3.257 1.00 0.00 H new ATOM 1290 N THR A 83 -11.081 6.464 -0.294 1.00 0.00 N ATOM 1291 CA THR A 83 -11.474 6.729 -1.680 1.00 0.00 C ATOM 1292 C THR A 83 -10.268 6.729 -2.625 1.00 0.00 C ATOM 1293 O THR A 83 -10.101 5.797 -3.404 1.00 0.00 O ATOM 1294 CB THR A 83 -12.267 8.043 -1.732 1.00 0.00 C ATOM 1295 OG1 THR A 83 -13.626 7.762 -1.573 1.00 0.00 O ATOM 1296 CG2 THR A 83 -12.096 8.877 -3.003 1.00 0.00 C ATOM 0 H THR A 83 -11.446 7.141 0.376 1.00 0.00 H new ATOM 0 HA THR A 83 -12.118 5.923 -2.033 1.00 0.00 H new ATOM 0 HB THR A 83 -11.859 8.649 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.138 8.597 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.701 9.781 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.047 9.151 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.418 8.295 -3.866 1.00 0.00 H new ATOM 1304 N ARG A 84 -9.400 7.749 -2.578 1.00 0.00 N ATOM 1305 CA ARG A 84 -8.255 7.869 -3.482 1.00 0.00 C ATOM 1306 C ARG A 84 -7.135 6.947 -3.074 1.00 0.00 C ATOM 1307 O ARG A 84 -6.481 6.387 -3.925 1.00 0.00 O ATOM 1308 CB ARG A 84 -7.722 9.302 -3.513 1.00 0.00 C ATOM 1309 CG ARG A 84 -7.449 9.742 -4.957 1.00 0.00 C ATOM 1310 CD ARG A 84 -8.647 10.490 -5.530 1.00 0.00 C ATOM 1311 NE ARG A 84 -8.302 11.150 -6.802 1.00 0.00 N ATOM 1312 CZ ARG A 84 -9.042 12.044 -7.430 1.00 0.00 C ATOM 1313 NH1 ARG A 84 -10.198 12.413 -6.959 1.00 0.00 N ATOM 1314 NH2 ARG A 84 -8.636 12.569 -8.549 1.00 0.00 N ATOM 0 H ARG A 84 -9.475 8.515 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.609 7.591 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.445 9.975 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.805 9.368 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.567 10.382 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.231 8.870 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.471 9.795 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.992 11.234 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.414 10.893 -7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.547 12.010 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.755 13.106 -7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.739 12.290 -8.947 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.214 13.259 -9.028 1.00 0.00 H new ATOM 1328 N ILE A 85 -6.943 6.758 -1.782 1.00 0.00 N ATOM 1329 CA ILE A 85 -5.964 5.852 -1.215 1.00 0.00 C ATOM 1330 C ILE A 85 -6.042 4.518 -1.904 1.00 0.00 C ATOM 1331 O ILE A 85 -5.034 4.074 -2.414 1.00 0.00 O ATOM 1332 CB ILE A 85 -6.147 5.721 0.312 1.00 0.00 C ATOM 1333 CG1 ILE A 85 -5.544 6.947 1.025 1.00 0.00 C ATOM 1334 CG2 ILE A 85 -5.586 4.395 0.860 1.00 0.00 C ATOM 1335 CD1 ILE A 85 -4.094 7.213 0.650 1.00 0.00 C ATOM 0 H ILE A 85 -7.486 7.250 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.967 6.261 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.216 5.697 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.141 7.827 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.611 6.800 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.740 4.353 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.101 3.559 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.520 4.334 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.734 8.090 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.485 6.349 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.023 7.391 -0.423 1.00 0.00 H new ATOM 1347 N TYR A 86 -7.227 3.925 -1.966 1.00 0.00 N ATOM 1348 CA TYR A 86 -7.455 2.658 -2.636 1.00 0.00 C ATOM 1349 C TYR A 86 -7.415 2.840 -4.140 1.00 0.00 C ATOM 1350 O TYR A 86 -6.839 2.013 -4.830 1.00 0.00 O ATOM 1351 CB TYR A 86 -8.821 2.132 -2.244 1.00 0.00 C ATOM 1352 CG TYR A 86 -8.909 1.568 -0.839 1.00 0.00 C ATOM 1353 CD1 TYR A 86 -8.562 2.332 0.290 1.00 0.00 C ATOM 1354 CD2 TYR A 86 -9.333 0.246 -0.669 1.00 0.00 C ATOM 1355 CE1 TYR A 86 -8.645 1.820 1.591 1.00 0.00 C ATOM 1356 CE2 TYR A 86 -9.418 -0.289 0.624 1.00 0.00 C ATOM 1357 CZ TYR A 86 -9.067 0.487 1.744 1.00 0.00 C ATOM 1358 OH TYR A 86 -9.258 -0.020 2.984 1.00 0.00 O ATOM 0 H TYR A 86 -8.068 4.320 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.675 1.956 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.547 2.939 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.111 1.355 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.220 3.347 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.593 -0.357 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.394 2.428 2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.756 -1.306 0.762 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.022 -0.634 2.972 1.00 0.00 H new ATOM 1368 N GLN A 87 -7.924 3.959 -4.654 1.00 0.00 N ATOM 1369 CA GLN A 87 -7.849 4.254 -6.084 1.00 0.00 C ATOM 1370 C GLN A 87 -6.413 4.452 -6.584 1.00 0.00 C ATOM 1371 O GLN A 87 -6.165 4.455 -7.787 1.00 0.00 O ATOM 1372 CB GLN A 87 -8.689 5.493 -6.412 1.00 0.00 C ATOM 1373 CG GLN A 87 -9.698 5.236 -7.536 1.00 0.00 C ATOM 1374 CD GLN A 87 -9.254 5.933 -8.805 1.00 0.00 C ATOM 1375 OE1 GLN A 87 -8.678 5.348 -9.711 1.00 0.00 O ATOM 1376 NE2 GLN A 87 -9.439 7.228 -8.888 1.00 0.00 N ATOM 0 H GLN A 87 -8.393 4.676 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 87 -8.248 3.382 -6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -9.221 5.815 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.028 6.310 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.791 4.165 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.683 5.596 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.919 7.724 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.103 7.740 -9.704 1.00 0.00 H new ATOM 1385 N ILE A 88 -5.450 4.594 -5.689 1.00 0.00 N ATOM 1386 CA ILE A 88 -4.040 4.787 -5.987 1.00 0.00 C ATOM 1387 C ILE A 88 -3.245 3.591 -5.469 1.00 0.00 C ATOM 1388 O ILE A 88 -2.240 3.209 -6.049 1.00 0.00 O ATOM 1389 CB ILE A 88 -3.568 6.106 -5.363 1.00 0.00 C ATOM 1390 CG1 ILE A 88 -4.343 7.328 -5.895 1.00 0.00 C ATOM 1391 CG2 ILE A 88 -2.080 6.283 -5.669 1.00 0.00 C ATOM 1392 CD1 ILE A 88 -3.953 8.595 -5.122 1.00 0.00 C ATOM 0 H ILE A 88 -5.639 4.577 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.880 4.850 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.751 6.052 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.134 7.464 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.415 7.154 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.727 7.217 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.520 5.450 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.931 6.308 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.511 9.446 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.186 8.463 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.885 8.778 -5.238 1.00 0.00 H new ATOM 1404 N ALA A 89 -3.741 2.902 -4.448 1.00 0.00 N ATOM 1405 CA ALA A 89 -3.172 1.656 -3.963 1.00 0.00 C ATOM 1406 C ALA A 89 -3.693 0.437 -4.737 1.00 0.00 C ATOM 1407 O ALA A 89 -3.440 -0.708 -4.360 1.00 0.00 O ATOM 1408 CB ALA A 89 -3.434 1.530 -2.461 1.00 0.00 C ATOM 0 H ALA A 89 -4.565 3.201 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.096 1.679 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.008 0.596 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.972 2.369 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.508 1.536 -2.277 1.00 0.00 H new ATOM 1414 N LYS A 90 -4.413 0.676 -5.831 1.00 0.00 N ATOM 1415 CA LYS A 90 -4.947 -0.367 -6.700 1.00 0.00 C ATOM 1416 C LYS A 90 -4.040 -0.591 -7.881 1.00 0.00 C ATOM 1417 O LYS A 90 -3.823 -1.724 -8.262 1.00 0.00 O ATOM 1418 CB LYS A 90 -6.349 -0.008 -7.174 1.00 0.00 C ATOM 1419 CG LYS A 90 -6.395 1.238 -8.061 1.00 0.00 C ATOM 1420 CD LYS A 90 -6.533 0.877 -9.548 1.00 0.00 C ATOM 1421 CE LYS A 90 -7.400 1.886 -10.303 1.00 0.00 C ATOM 1422 NZ LYS A 90 -7.031 3.260 -9.931 1.00 0.00 N ATOM 0 H LYS A 90 -4.645 1.619 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.002 -1.291 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.764 -0.852 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.988 0.151 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.233 1.867 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.488 1.824 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.544 0.835 -10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.969 -0.118 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.277 1.748 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.452 1.712 -10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.888 3.847 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.555 3.253 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.389 3.653 -10.648 1.00 0.00 H new ATOM 1436 N ASN A 91 -3.441 0.463 -8.442 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.426 0.378 -9.485 1.00 0.00 C ATOM 1438 C ASN A 91 -1.024 0.162 -8.886 1.00 0.00 C ATOM 1439 O ASN A 91 -0.023 0.332 -9.557 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.466 1.630 -10.358 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.393 2.891 -9.537 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -1.532 3.103 -8.716 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.352 3.759 -9.711 1.00 0.00 N ATOM 0 H ASN A 91 -3.657 1.423 -8.173 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.647 -0.488 -10.110 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.635 1.607 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.383 1.633 -10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.373 4.614 -9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.080 3.583 -10.403 1.00 0.00 H new ATOM 1450 N LEU A 92 -0.932 -0.207 -7.615 1.00 0.00 N ATOM 1451 CA LEU A 92 0.343 -0.543 -6.998 1.00 0.00 C ATOM 1452 C LEU A 92 0.801 -1.926 -7.467 1.00 0.00 C ATOM 1453 O LEU A 92 1.807 -2.002 -8.162 1.00 0.00 O ATOM 1454 CB LEU A 92 0.190 -0.467 -5.472 1.00 0.00 C ATOM 1455 CG LEU A 92 0.855 0.772 -4.902 1.00 0.00 C ATOM 1456 CD1 LEU A 92 0.352 0.987 -3.466 1.00 0.00 C ATOM 1457 CD2 LEU A 92 2.378 0.614 -4.914 1.00 0.00 C ATOM 0 H LEU A 92 -1.733 -0.281 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 92 1.113 0.167 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.869 -0.464 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.627 -1.356 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 92 0.601 1.638 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.823 1.875 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.730 1.120 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.606 0.119 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.840 1.511 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.659 -0.249 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.721 0.467 -5.938 1.00 0.00 H new ATOM 1469 N PRO A 93 0.052 -3.011 -7.171 1.00 0.00 N ATOM 1470 CA PRO A 93 0.377 -4.364 -7.611 1.00 0.00 C ATOM 1471 C PRO A 93 0.134 -4.578 -9.088 1.00 0.00 C ATOM 1472 O PRO A 93 0.821 -5.388 -9.688 1.00 0.00 O ATOM 1473 CB PRO A 93 -0.559 -5.306 -6.847 1.00 0.00 C ATOM 1474 CG PRO A 93 -1.700 -4.426 -6.366 1.00 0.00 C ATOM 1475 CD PRO A 93 -1.261 -2.998 -6.557 1.00 0.00 C ATOM 0 HA PRO A 93 1.435 -4.546 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.923 -6.107 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.045 -5.778 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.609 -4.629 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.925 -4.624 -5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.971 -2.462 -7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.229 -2.478 -5.600 1.00 0.00 H new ATOM 1483 N ASN A 94 -0.797 -3.852 -9.703 1.00 0.00 N ATOM 1484 CA ASN A 94 -0.967 -3.933 -11.163 1.00 0.00 C ATOM 1485 C ASN A 94 0.290 -3.515 -11.940 1.00 0.00 C ATOM 1486 O ASN A 94 0.418 -3.813 -13.124 1.00 0.00 O ATOM 1487 CB ASN A 94 -2.121 -3.030 -11.579 1.00 0.00 C ATOM 1488 CG ASN A 94 -3.468 -3.652 -11.304 1.00 0.00 C ATOM 1489 OD1 ASN A 94 -3.785 -4.732 -11.751 1.00 0.00 O ATOM 1490 ND2 ASN A 94 -4.294 -2.981 -10.547 1.00 0.00 N ATOM 0 H ASN A 94 -1.436 -3.212 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.167 -4.977 -11.404 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.047 -2.082 -11.047 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.038 -2.806 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.213 -3.366 -10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.020 -2.072 -10.174 1.00 0.00 H new ATOM 1497 N VAL A 95 1.212 -2.827 -11.265 1.00 0.00 N ATOM 1498 CA VAL A 95 2.462 -2.310 -11.821 1.00 0.00 C ATOM 1499 C VAL A 95 3.665 -2.943 -11.114 1.00 0.00 C ATOM 1500 O VAL A 95 4.781 -2.905 -11.612 1.00 0.00 O ATOM 1501 CB VAL A 95 2.497 -0.779 -11.701 1.00 0.00 C ATOM 1502 CG1 VAL A 95 3.602 -0.191 -12.592 1.00 0.00 C ATOM 1503 CG2 VAL A 95 1.164 -0.129 -12.127 1.00 0.00 C ATOM 0 H VAL A 95 1.103 -2.606 -10.275 1.00 0.00 H new ATOM 0 HA VAL A 95 2.516 -2.574 -12.877 1.00 0.00 H new ATOM 0 HB VAL A 95 2.686 -0.562 -10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.610 0.894 -12.493 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.568 -0.591 -12.285 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.412 -0.459 -13.631 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.238 0.954 -12.025 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.952 -0.382 -13.166 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.359 -0.499 -11.492 1.00 0.00 H new ATOM 1513 N CYS A 96 3.422 -3.631 -10.001 1.00 0.00 N ATOM 1514 CA CYS A 96 4.428 -4.359 -9.246 1.00 0.00 C ATOM 1515 C CYS A 96 4.050 -5.827 -9.139 1.00 0.00 C ATOM 1516 O CYS A 96 4.360 -6.420 -8.126 1.00 0.00 O ATOM 1517 CB CYS A 96 4.666 -3.668 -7.882 1.00 0.00 C ATOM 1518 SG CYS A 96 6.185 -2.697 -7.835 1.00 0.00 S ATOM 0 H CYS A 96 2.490 -3.697 -9.591 1.00 0.00 H new ATOM 0 HA CYS A 96 5.383 -4.337 -9.771 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.820 -3.018 -7.658 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.702 -4.426 -7.099 1.00 0.00 H new ATOM 1523 N ASN A 97 3.367 -6.402 -10.143 1.00 0.00 N ATOM 1524 CA ASN A 97 2.840 -7.776 -10.149 1.00 0.00 C ATOM 1525 C ASN A 97 3.556 -8.680 -9.158 1.00 0.00 C ATOM 1526 O ASN A 97 4.694 -9.091 -9.370 1.00 0.00 O ATOM 1527 CB ASN A 97 2.986 -8.399 -11.536 1.00 0.00 C ATOM 1528 CG ASN A 97 1.768 -8.175 -12.389 1.00 0.00 C ATOM 1529 OD1 ASN A 97 0.958 -9.060 -12.588 1.00 0.00 O ATOM 1530 ND2 ASN A 97 1.597 -6.975 -12.880 1.00 0.00 N ATOM 0 H ASN A 97 3.159 -5.902 -11.007 1.00 0.00 H new ATOM 0 HA ASN A 97 1.791 -7.698 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.859 -7.975 -12.033 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.165 -9.469 -11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.772 -6.767 -13.442 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.289 -6.247 -12.701 1.00 0.00 H new ATOM 1537 N MET A 98 2.886 -8.934 -8.046 1.00 0.00 N ATOM 1538 CA MET A 98 3.507 -9.592 -6.906 1.00 0.00 C ATOM 1539 C MET A 98 2.608 -10.675 -6.380 1.00 0.00 C ATOM 1540 O MET A 98 2.655 -11.031 -5.223 1.00 0.00 O ATOM 1541 CB MET A 98 3.923 -8.561 -5.846 1.00 0.00 C ATOM 1542 CG MET A 98 2.826 -7.577 -5.473 1.00 0.00 C ATOM 1543 SD MET A 98 3.349 -5.847 -5.480 1.00 0.00 S ATOM 1544 CE MET A 98 1.957 -5.045 -4.700 1.00 0.00 C ATOM 0 H MET A 98 1.905 -8.693 -7.907 1.00 0.00 H new ATOM 0 HA MET A 98 4.428 -10.084 -7.220 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.244 -9.089 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.785 -8.005 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.995 -7.696 -6.168 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.451 -7.827 -4.481 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.483 -4.367 -5.410 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.236 -5.797 -4.380 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.301 -4.481 -3.833 1.00 0.00 H new ATOM 1554 N LYS A 99 1.704 -11.170 -7.220 1.00 0.00 N ATOM 1555 CA LYS A 99 0.745 -12.187 -6.833 1.00 0.00 C ATOM 1556 C LYS A 99 0.249 -12.885 -8.068 1.00 0.00 C ATOM 1557 O LYS A 99 -0.727 -12.442 -8.669 1.00 0.00 O ATOM 1558 CB LYS A 99 -0.359 -11.531 -6.006 1.00 0.00 C ATOM 1559 CG LYS A 99 -1.474 -12.497 -5.656 1.00 0.00 C ATOM 1560 CD LYS A 99 -1.552 -12.824 -4.167 1.00 0.00 C ATOM 1561 CE LYS A 99 -2.994 -12.974 -3.685 1.00 0.00 C ATOM 1562 NZ LYS A 99 -3.102 -13.970 -2.596 1.00 0.00 N ATOM 0 H LYS A 99 1.620 -10.872 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 99 1.196 -12.954 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.070 -11.128 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.773 -10.689 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.425 -12.073 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -1.332 -13.421 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.007 -13.747 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.060 -12.036 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.364 -12.010 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.628 -13.275 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.925 -14.582 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.239 -14.550 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.218 -13.479 -1.687 1.00 0.00 H new ATOM 1576 N GLN A 100 0.864 -14.020 -8.375 1.00 0.00 N ATOM 1577 CA GLN A 100 0.468 -14.858 -9.507 1.00 0.00 C ATOM 1578 C GLN A 100 -0.673 -15.822 -9.136 1.00 0.00 C ATOM 1579 O GLN A 100 -0.653 -17.014 -9.423 1.00 0.00 O ATOM 1580 CB GLN A 100 1.706 -15.582 -10.051 1.00 0.00 C ATOM 1581 CG GLN A 100 1.624 -15.646 -11.581 1.00 0.00 C ATOM 1582 CD GLN A 100 0.642 -16.700 -12.065 1.00 0.00 C ATOM 1583 OE1 GLN A 100 -0.515 -16.441 -12.340 1.00 0.00 O ATOM 1584 NE2 GLN A 100 1.095 -17.926 -12.175 1.00 0.00 N ATOM 0 H GLN A 100 1.654 -14.389 -7.846 1.00 0.00 H new ATOM 0 HA GLN A 100 0.064 -14.227 -10.299 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.612 -15.058 -9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.765 -16.588 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.326 -14.671 -11.967 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.613 -15.861 -11.986 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.066 -18.134 -11.942 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.476 -18.672 -12.493 1.00 0.00 H new ATOM 1593 N ILE A 101 -1.619 -15.329 -8.347 1.00 0.00 N ATOM 1594 CA ILE A 101 -2.740 -16.119 -7.857 1.00 0.00 C ATOM 1595 C ILE A 101 -4.010 -15.275 -7.880 1.00 0.00 C ATOM 1596 O ILE A 101 -4.989 -15.629 -8.522 1.00 0.00 O ATOM 1597 CB ILE A 101 -2.411 -16.771 -6.481 1.00 0.00 C ATOM 1598 CG1 ILE A 101 -3.703 -17.202 -5.751 1.00 0.00 C ATOM 1599 CG2 ILE A 101 -1.597 -15.880 -5.534 1.00 0.00 C ATOM 1600 CD1 ILE A 101 -4.559 -18.139 -6.617 1.00 0.00 C ATOM 0 H ILE A 101 -1.629 -14.361 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.925 -16.964 -8.520 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.792 -17.634 -6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.444 -17.704 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.284 -16.318 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.414 -16.413 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.645 -15.627 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.153 -14.966 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.459 -18.420 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.840 -17.628 -7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.987 -19.035 -6.859 1.00 0.00 H new ATOM 1612 N GLY A 102 -4.003 -14.154 -7.163 1.00 0.00 N ATOM 1613 CA GLY A 102 -5.173 -13.282 -7.069 1.00 0.00 C ATOM 1614 C GLY A 102 -4.756 -11.856 -6.782 1.00 0.00 C ATOM 1615 O GLY A 102 -4.762 -11.419 -5.628 1.00 0.00 O ATOM 0 H GLY A 102 -3.194 -13.826 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.737 -13.321 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.836 -13.638 -6.280 1.00 0.00 H new ATOM 1619 N THR A 103 -4.256 -11.184 -7.810 1.00 0.00 N ATOM 1620 CA THR A 103 -3.687 -9.835 -7.773 1.00 0.00 C ATOM 1621 C THR A 103 -4.799 -8.851 -7.524 1.00 0.00 C ATOM 1622 O THR A 103 -5.503 -8.554 -8.476 1.00 0.00 O ATOM 1623 CB THR A 103 -3.007 -9.495 -9.123 1.00 0.00 C ATOM 1624 OG1 THR A 103 -2.885 -10.660 -9.909 1.00 0.00 O ATOM 1625 CG2 THR A 103 -1.604 -8.932 -8.926 1.00 0.00 C ATOM 0 H THR A 103 -4.233 -11.585 -8.748 1.00 0.00 H new ATOM 0 HA THR A 103 -2.941 -9.783 -6.980 1.00 0.00 H new ATOM 0 HB THR A 103 -3.634 -8.749 -9.612 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.207 -11.249 -9.517 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.163 -8.707 -9.897 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.658 -8.020 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.987 -9.666 -8.408 1.00 0.00 H new ATOM 1633 N CYS A 104 -4.982 -8.453 -6.252 1.00 0.00 N ATOM 1634 CA CYS A 104 -6.061 -7.607 -5.707 1.00 0.00 C ATOM 1635 C CYS A 104 -7.003 -7.147 -6.823 1.00 0.00 C ATOM 1636 O CYS A 104 -6.832 -6.026 -7.302 1.00 0.00 O ATOM 1637 CB CYS A 104 -5.492 -6.425 -4.896 1.00 0.00 C ATOM 1638 SG CYS A 104 -3.712 -6.308 -4.794 1.00 0.00 S ATOM 0 H CYS A 104 -4.329 -8.736 -5.521 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.650 -8.206 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.870 -5.500 -5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -5.888 -6.485 -3.882 1.00 0.00 H new ATOM 1643 N PRO A 105 -7.898 -8.047 -7.293 1.00 0.00 N ATOM 1644 CA PRO A 105 -8.685 -7.814 -8.498 1.00 0.00 C ATOM 1645 C PRO A 105 -9.861 -6.904 -8.140 1.00 0.00 C ATOM 1646 O PRO A 105 -11.033 -7.215 -8.318 1.00 0.00 O ATOM 1647 CB PRO A 105 -9.096 -9.191 -9.020 1.00 0.00 C ATOM 1648 CG PRO A 105 -8.884 -10.162 -7.862 1.00 0.00 C ATOM 1649 CD PRO A 105 -8.028 -9.431 -6.840 1.00 0.00 C ATOM 0 HA PRO A 105 -8.137 -7.302 -9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.137 -9.191 -9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.495 -9.476 -9.883 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.837 -10.462 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.390 -11.071 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.489 -9.471 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.048 -9.901 -6.753 1.00 0.00 H new ATOM 1657 N PHE A 106 -9.534 -5.780 -7.524 1.00 0.00 N ATOM 1658 CA PHE A 106 -10.459 -4.802 -7.015 1.00 0.00 C ATOM 1659 C PHE A 106 -10.177 -3.503 -7.719 1.00 0.00 C ATOM 1660 O PHE A 106 -9.060 -3.275 -8.185 1.00 0.00 O ATOM 1661 CB PHE A 106 -10.259 -4.621 -5.505 1.00 0.00 C ATOM 1662 CG PHE A 106 -9.358 -3.453 -5.098 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -9.861 -2.136 -5.071 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -7.998 -3.670 -4.816 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -9.013 -1.058 -4.789 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -7.157 -2.593 -4.475 1.00 0.00 C ATOM 1667 CZ PHE A 106 -7.677 -1.290 -4.444 1.00 0.00 C ATOM 0 H PHE A 106 -8.562 -5.519 -7.361 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.485 -5.125 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.235 -4.484 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.839 -5.541 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.908 -1.957 -5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.595 -4.671 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.390 -0.047 -4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.118 -2.769 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.045 -0.464 -4.153 1.00 0.00 H new ATOM 1677 N ILE A 107 -11.188 -2.635 -7.704 1.00 0.00 N ATOM 1678 CA ILE A 107 -11.158 -1.305 -8.302 1.00 0.00 C ATOM 1679 C ILE A 107 -12.499 -0.601 -8.227 1.00 0.00 C ATOM 1680 O ILE A 107 -12.501 0.617 -8.119 1.00 0.00 O ATOM 1681 CB ILE A 107 -10.758 -1.372 -9.793 1.00 0.00 C ATOM 1682 CG1 ILE A 107 -11.154 -2.722 -10.460 1.00 0.00 C ATOM 1683 CG2 ILE A 107 -9.263 -1.064 -9.939 1.00 0.00 C ATOM 1684 CD1 ILE A 107 -11.547 -2.565 -11.904 1.00 0.00 C ATOM 0 H ILE A 107 -12.081 -2.848 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.421 -0.745 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 107 -11.322 -0.611 -10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.317 -3.416 -10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.983 -3.165 -9.909 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.983 -1.112 -10.991 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.058 -0.065 -9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.684 -1.796 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.813 -3.538 -12.317 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -12.403 -1.894 -11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.711 -2.149 -12.466 1.00 0.00 H new ATOM 1696 N ALA A 108 -13.599 -1.353 -8.323 1.00 0.00 N ATOM 1697 CA ALA A 108 -14.962 -0.853 -8.179 1.00 0.00 C ATOM 1698 C ALA A 108 -15.220 -0.388 -6.733 1.00 0.00 C ATOM 1699 O ALA A 108 -15.727 -1.152 -5.910 1.00 0.00 O ATOM 1700 CB ALA A 108 -15.948 -1.951 -8.617 1.00 0.00 C ATOM 0 H ALA A 108 -13.561 -2.355 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 108 -15.108 0.017 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -16.970 -1.585 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -15.761 -2.213 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -15.812 -2.833 -7.991 1.00 0.00 H new ATOM 1706 N ILE A 109 -14.768 0.824 -6.417 1.00 0.00 N ATOM 1707 CA ILE A 109 -14.841 1.457 -5.098 1.00 0.00 C ATOM 1708 C ILE A 109 -15.536 2.815 -5.208 1.00 0.00 C ATOM 1709 O ILE A 109 -16.702 2.857 -4.767 1.00 0.00 O ATOM 1710 CB ILE A 109 -13.451 1.487 -4.421 1.00 0.00 C ATOM 1711 CG1 ILE A 109 -12.436 2.377 -5.190 1.00 0.00 C ATOM 1712 CG2 ILE A 109 -12.937 0.040 -4.195 1.00 0.00 C ATOM 1713 CD1 ILE A 109 -10.979 2.117 -4.851 1.00 0.00 C ATOM 1714 OXT ILE A 109 -14.925 3.756 -5.765 1.00 0.00 O ATOM 0 H ILE A 109 -14.317 1.423 -7.108 1.00 0.00 H new ATOM 0 HA ILE A 109 -15.461 0.861 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 109 -13.557 1.957 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.578 2.225 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.662 3.423 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.958 0.072 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -13.635 -0.498 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -12.857 -0.472 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.345 2.784 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.815 2.298 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.730 1.082 -5.085 1.00 0.00 H new TER 1726 ILE A 109