USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 909 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 53 ASN :FLIP amide:sc= -0.968! X(o=-4.3,f=-4.1!) USER MOD Set 1.2: A 62 GLN : amide:sc= -3.1! C(o=-4.1!,f=-4.3!) USER MOD Set 2.1: A 5 THR OG1 : rot 91:sc= 0.0863 USER MOD Set 2.2: A 10 ASN : amide:sc= -5.62! C(o=-5.5!,f=-12!) USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0.883 USER MOD Set 3.2: A 8 TYR OH : rot -67:sc= 2.39 USER MOD Single : A 1 GLU N :NH3+ -172:sc= 0 (180deg=-0.0685) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 19 ASN :FLIP amide:sc= -5.79! C(o=-8.6!,f=-5.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -110:sc= -3.34 USER MOD Single : A 28 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.8!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -51:sc= 0.11 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.076) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.847 F(o=-1.8!,f=-0.85) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.011 (180deg=-0.0403) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -5.19! C(o=-5.2!,f=-18!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 122:sc= -1.43! USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0009) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.52 F(o=-2.4,f=-1.5) USER MOD Single : A 85 THR OG1 : rot 3:sc= 1.06 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -81:sc= 0.153 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0.00093) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= 0.229 (180deg=0.0279) USER MOD Single : A 98 TYR OH : rot 120:sc= -0.895 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -23.341 5.904 12.099 1.00 0.00 N ATOM 2 CA GLU A 1 -24.581 6.485 11.517 1.00 0.00 C ATOM 3 C GLU A 1 -24.423 6.735 10.021 1.00 0.00 C ATOM 4 O GLU A 1 -25.335 6.488 9.242 1.00 0.00 O ATOM 5 CB GLU A 1 -24.895 7.792 12.244 1.00 0.00 C ATOM 6 CG GLU A 1 -25.721 7.607 13.509 1.00 0.00 C ATOM 7 CD GLU A 1 -24.867 7.527 14.760 1.00 0.00 C ATOM 8 OE1 GLU A 1 -24.579 8.593 15.346 1.00 0.00 O ATOM 9 OE2 GLU A 1 -24.488 6.403 15.152 1.00 0.00 O ATOM 0 H1 GLU A 1 -23.520 5.619 13.083 1.00 0.00 H new ATOM 0 H2 GLU A 1 -23.054 5.072 11.544 1.00 0.00 H new ATOM 0 H3 GLU A 1 -22.581 6.614 12.077 1.00 0.00 H new ATOM 0 HA GLU A 1 -25.402 5.779 11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -23.959 8.288 12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -25.431 8.455 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -26.422 8.436 13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -26.314 6.697 13.421 1.00 0.00 H new ATOM 18 N ASP A 2 -23.253 7.232 9.636 1.00 0.00 N ATOM 19 CA ASP A 2 -22.968 7.517 8.233 1.00 0.00 C ATOM 20 C ASP A 2 -22.717 6.229 7.453 1.00 0.00 C ATOM 21 O ASP A 2 -21.887 5.411 7.845 1.00 0.00 O ATOM 22 CB ASP A 2 -21.760 8.446 8.111 1.00 0.00 C ATOM 23 CG ASP A 2 -21.706 9.152 6.769 1.00 0.00 C ATOM 24 OD1 ASP A 2 -22.406 10.175 6.609 1.00 0.00 O ATOM 25 OD2 ASP A 2 -20.962 8.682 5.883 1.00 0.00 O ATOM 0 H ASP A 2 -22.487 7.446 10.274 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.841 8.013 7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -21.794 9.189 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.846 7.869 8.252 1.00 0.00 H new ATOM 30 N LYS A 3 -23.440 6.063 6.350 1.00 0.00 N ATOM 31 CA LYS A 3 -23.291 4.874 5.518 1.00 0.00 C ATOM 32 C LYS A 3 -21.868 4.751 4.985 1.00 0.00 C ATOM 33 O LYS A 3 -21.007 5.579 5.290 1.00 0.00 O ATOM 34 CB LYS A 3 -24.280 4.918 4.350 1.00 0.00 C ATOM 35 CG LYS A 3 -25.705 4.589 4.752 1.00 0.00 C ATOM 36 CD LYS A 3 -26.465 3.931 3.612 1.00 0.00 C ATOM 37 CE LYS A 3 -27.396 2.841 4.115 1.00 0.00 C ATOM 38 NZ LYS A 3 -26.780 1.491 3.990 1.00 0.00 N ATOM 0 H LYS A 3 -24.131 6.733 6.013 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.503 4.002 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -24.257 5.911 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -23.956 4.215 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -25.697 3.925 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.219 5.501 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.042 4.685 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.758 3.506 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.649 3.031 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.328 2.869 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.444 0.772 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.562 1.300 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.903 1.456 4.549 1.00 0.00 H new ATOM 52 N TYR A 4 -21.623 3.716 4.194 1.00 0.00 N ATOM 53 CA TYR A 4 -20.302 3.486 3.621 1.00 0.00 C ATOM 54 C TYR A 4 -20.339 2.379 2.577 1.00 0.00 C ATOM 55 O TYR A 4 -20.318 2.635 1.374 1.00 0.00 O ATOM 56 CB TYR A 4 -19.299 3.139 4.724 1.00 0.00 C ATOM 57 CG TYR A 4 -17.917 2.796 4.206 1.00 0.00 C ATOM 58 CD1 TYR A 4 -17.335 3.534 3.183 1.00 0.00 C ATOM 59 CD2 TYR A 4 -17.198 1.737 4.736 1.00 0.00 C ATOM 60 CE1 TYR A 4 -16.076 3.220 2.704 1.00 0.00 C ATOM 61 CE2 TYR A 4 -15.937 1.419 4.266 1.00 0.00 C ATOM 62 CZ TYR A 4 -15.380 2.165 3.251 1.00 0.00 C ATOM 63 OH TYR A 4 -14.129 1.852 2.777 1.00 0.00 O ATOM 0 H TYR A 4 -22.322 3.021 3.933 1.00 0.00 H new ATOM 0 HA TYR A 4 -19.985 4.405 3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.221 3.982 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -19.682 2.295 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -17.874 4.366 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -17.631 1.149 5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.640 3.800 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -15.392 0.590 4.693 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.775 1.083 3.270 1.00 0.00 H new ATOM 73 N THR A 5 -20.404 1.152 3.053 1.00 0.00 N ATOM 74 CA THR A 5 -20.448 0.002 2.178 1.00 0.00 C ATOM 75 C THR A 5 -21.593 0.112 1.175 1.00 0.00 C ATOM 76 O THR A 5 -22.753 -0.114 1.506 1.00 0.00 O ATOM 77 CB THR A 5 -20.612 -1.267 3.002 1.00 0.00 C ATOM 78 OG1 THR A 5 -20.090 -1.091 4.307 1.00 0.00 O ATOM 79 CG2 THR A 5 -19.914 -2.467 2.387 1.00 0.00 C ATOM 0 H THR A 5 -20.428 0.927 4.048 1.00 0.00 H new ATOM 0 HA THR A 5 -19.510 -0.036 1.623 1.00 0.00 H new ATOM 0 HB THR A 5 -21.685 -1.459 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 5 -20.799 -0.769 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.067 -3.341 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.326 -2.660 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.847 -2.263 2.302 1.00 0.00 H new ATOM 87 N ASP A 6 -21.249 0.474 -0.031 1.00 0.00 N ATOM 88 CA ASP A 6 -22.245 0.617 -1.086 1.00 0.00 C ATOM 89 C ASP A 6 -21.587 0.967 -2.415 1.00 0.00 C ATOM 90 O ASP A 6 -22.135 1.728 -3.205 1.00 0.00 O ATOM 91 CB ASP A 6 -23.263 1.690 -0.707 1.00 0.00 C ATOM 92 CG ASP A 6 -24.658 1.377 -1.215 1.00 0.00 C ATOM 93 OD1 ASP A 6 -24.768 0.741 -2.284 1.00 0.00 O ATOM 94 OD2 ASP A 6 -25.632 1.766 -0.548 1.00 0.00 O ATOM 0 H ASP A 6 -20.292 0.677 -0.318 1.00 0.00 H new ATOM 0 HA ASP A 6 -22.758 -0.338 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -23.290 1.793 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -22.941 2.650 -1.110 1.00 0.00 H new ATOM 99 N LYS A 7 -20.405 0.409 -2.651 1.00 0.00 N ATOM 100 CA LYS A 7 -19.674 0.664 -3.883 1.00 0.00 C ATOM 101 C LYS A 7 -18.627 -0.397 -4.139 1.00 0.00 C ATOM 102 O LYS A 7 -18.938 -1.465 -4.668 1.00 0.00 O ATOM 103 CB LYS A 7 -19.021 2.043 -3.831 1.00 0.00 C ATOM 104 CG LYS A 7 -19.928 3.159 -4.313 1.00 0.00 C ATOM 105 CD LYS A 7 -20.518 3.941 -3.151 1.00 0.00 C ATOM 106 CE LYS A 7 -19.605 5.089 -2.736 1.00 0.00 C ATOM 107 NZ LYS A 7 -19.704 5.369 -1.276 1.00 0.00 N ATOM 0 H LYS A 7 -19.934 -0.223 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 7 -20.388 0.633 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.713 2.252 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.117 2.032 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.365 3.834 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.733 2.740 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.495 4.334 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.675 3.274 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -18.574 4.845 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.868 5.985 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.070 6.155 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.683 5.626 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.428 4.521 -0.740 1.00 0.00 H new ATOM 121 N TYR A 8 -17.389 -0.122 -3.761 1.00 0.00 N ATOM 122 CA TYR A 8 -16.301 -1.050 -3.937 1.00 0.00 C ATOM 123 C TYR A 8 -16.238 -2.037 -2.775 1.00 0.00 C ATOM 124 O TYR A 8 -17.227 -2.249 -2.074 1.00 0.00 O ATOM 125 CB TYR A 8 -14.989 -0.266 -4.055 1.00 0.00 C ATOM 126 CG TYR A 8 -14.694 0.584 -2.855 1.00 0.00 C ATOM 127 CD1 TYR A 8 -14.010 0.087 -1.757 1.00 0.00 C ATOM 128 CD2 TYR A 8 -15.096 1.904 -2.825 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.740 0.869 -0.658 1.00 0.00 C ATOM 130 CE2 TYR A 8 -14.830 2.708 -1.726 1.00 0.00 C ATOM 131 CZ TYR A 8 -14.149 2.180 -0.648 1.00 0.00 C ATOM 132 OH TYR A 8 -13.880 2.977 0.424 1.00 0.00 O ATOM 0 H TYR A 8 -17.117 0.758 -3.322 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.462 -1.625 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.168 -0.967 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.032 0.369 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.680 -0.941 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.626 2.318 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.212 0.456 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.153 3.738 -1.714 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.385 2.660 1.202 1.00 0.00 H new ATOM 142 N ASP A 9 -15.069 -2.632 -2.574 1.00 0.00 N ATOM 143 CA ASP A 9 -14.879 -3.594 -1.490 1.00 0.00 C ATOM 144 C ASP A 9 -14.259 -2.919 -0.275 1.00 0.00 C ATOM 145 O ASP A 9 -13.040 -2.801 -0.168 1.00 0.00 O ATOM 146 CB ASP A 9 -13.989 -4.750 -1.959 1.00 0.00 C ATOM 147 CG ASP A 9 -13.875 -5.844 -0.919 1.00 0.00 C ATOM 148 OD1 ASP A 9 -14.903 -6.486 -0.613 1.00 0.00 O ATOM 149 OD2 ASP A 9 -12.753 -6.065 -0.411 1.00 0.00 O ATOM 0 H ASP A 9 -14.239 -2.468 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.855 -3.989 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.395 -5.168 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.995 -4.369 -2.193 1.00 0.00 H new ATOM 154 N ASN A 10 -15.111 -2.467 0.622 1.00 0.00 N ATOM 155 CA ASN A 10 -14.655 -1.797 1.814 1.00 0.00 C ATOM 156 C ASN A 10 -13.709 -2.684 2.620 1.00 0.00 C ATOM 157 O ASN A 10 -14.114 -3.725 3.142 1.00 0.00 O ATOM 158 CB ASN A 10 -15.850 -1.396 2.676 1.00 0.00 C ATOM 159 CG ASN A 10 -16.835 -2.530 2.866 1.00 0.00 C ATOM 160 OD1 ASN A 10 -17.301 -3.137 1.903 1.00 0.00 O ATOM 161 ND2 ASN A 10 -17.158 -2.830 4.123 1.00 0.00 N ATOM 0 H ASN A 10 -16.124 -2.554 0.544 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.108 -0.904 1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.495 -1.061 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.359 -0.550 2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.814 -3.587 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.749 -2.302 4.894 1.00 0.00 H new ATOM 168 N ILE A 11 -12.458 -2.256 2.725 1.00 0.00 N ATOM 169 CA ILE A 11 -11.456 -3.001 3.474 1.00 0.00 C ATOM 170 C ILE A 11 -11.146 -2.274 4.782 1.00 0.00 C ATOM 171 O ILE A 11 -11.656 -1.183 5.022 1.00 0.00 O ATOM 172 CB ILE A 11 -10.173 -3.210 2.622 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.899 -4.702 2.424 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.948 -2.517 3.227 1.00 0.00 C ATOM 175 CD1 ILE A 11 -9.731 -5.473 3.718 1.00 0.00 C ATOM 0 H ILE A 11 -12.113 -1.395 2.300 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.850 -3.989 3.713 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.356 -2.747 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.720 -5.140 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.997 -4.819 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.079 -2.695 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.134 -1.445 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.758 -2.918 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.540 -6.522 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.891 -5.063 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.641 -5.389 4.312 1.00 0.00 H new ATOM 187 N ASN A 12 -10.312 -2.876 5.627 1.00 0.00 N ATOM 188 CA ASN A 12 -9.951 -2.260 6.899 1.00 0.00 C ATOM 189 C ASN A 12 -8.962 -1.106 6.696 1.00 0.00 C ATOM 190 O ASN A 12 -7.938 -1.035 7.370 1.00 0.00 O ATOM 191 CB ASN A 12 -9.349 -3.311 7.839 1.00 0.00 C ATOM 192 CG ASN A 12 -9.840 -3.153 9.268 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.024 -3.312 9.548 1.00 0.00 O ATOM 194 ND2 ASN A 12 -8.920 -2.845 10.173 1.00 0.00 N ATOM 0 H ASN A 12 -9.877 -3.782 5.455 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.857 -1.853 7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.604 -4.307 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.262 -3.233 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.185 -2.730 11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.948 -2.723 9.891 1.00 0.00 H new ATOM 201 N LEU A 13 -9.280 -0.208 5.771 1.00 0.00 N ATOM 202 CA LEU A 13 -8.420 0.903 5.488 1.00 0.00 C ATOM 203 C LEU A 13 -8.705 2.042 6.449 1.00 0.00 C ATOM 204 O LEU A 13 -8.879 3.193 6.043 1.00 0.00 O ATOM 205 CB LEU A 13 -8.619 1.370 4.045 1.00 0.00 C ATOM 206 CG LEU A 13 -7.834 0.589 2.993 1.00 0.00 C ATOM 207 CD1 LEU A 13 -8.658 0.407 1.729 1.00 0.00 C ATOM 208 CD2 LEU A 13 -6.524 1.292 2.674 1.00 0.00 C ATOM 0 H LEU A 13 -10.132 -0.240 5.211 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.385 0.586 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.680 1.308 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.338 2.421 3.978 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.609 -0.397 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.078 -0.152 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.570 -0.141 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.917 1.383 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.978 0.721 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.731 2.291 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.922 1.368 3.580 1.00 0.00 H new ATOM 220 N ASP A 14 -8.727 1.710 7.728 1.00 0.00 N ATOM 221 CA ASP A 14 -8.959 2.689 8.775 1.00 0.00 C ATOM 222 C ASP A 14 -7.803 2.651 9.760 1.00 0.00 C ATOM 223 O ASP A 14 -7.191 3.675 10.065 1.00 0.00 O ATOM 224 CB ASP A 14 -10.277 2.400 9.498 1.00 0.00 C ATOM 225 CG ASP A 14 -11.011 3.666 9.889 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.818 4.164 9.072 1.00 0.00 O ATOM 227 OD2 ASP A 14 -10.780 4.163 11.011 1.00 0.00 O ATOM 0 H ASP A 14 -8.585 0.759 8.069 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.026 3.681 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.917 1.797 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.076 1.809 10.392 1.00 0.00 H new ATOM 232 N GLU A 15 -7.494 1.450 10.227 1.00 0.00 N ATOM 233 CA GLU A 15 -6.395 1.255 11.157 1.00 0.00 C ATOM 234 C GLU A 15 -5.075 1.665 10.511 1.00 0.00 C ATOM 235 O GLU A 15 -4.128 2.037 11.202 1.00 0.00 O ATOM 236 CB GLU A 15 -6.326 -0.175 11.606 1.00 0.00 C ATOM 237 CG GLU A 15 -7.400 -0.557 12.605 1.00 0.00 C ATOM 238 CD GLU A 15 -6.897 -1.505 13.674 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.774 -2.715 13.381 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.624 -1.043 14.801 1.00 0.00 O ATOM 0 H GLU A 15 -7.991 0.595 9.976 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.572 1.883 12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.407 -0.824 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.348 -0.359 12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.787 0.345 13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.233 -1.021 12.077 1.00 0.00 H new ATOM 247 N ILE A 16 -5.016 1.602 9.179 1.00 0.00 N ATOM 248 CA ILE A 16 -3.802 1.979 8.465 1.00 0.00 C ATOM 249 C ILE A 16 -3.988 3.287 7.705 1.00 0.00 C ATOM 250 O ILE A 16 -3.211 3.616 6.812 1.00 0.00 O ATOM 251 CB ILE A 16 -3.354 0.880 7.477 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.646 -0.481 8.046 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.873 1.025 7.168 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.422 -1.602 7.057 1.00 0.00 C ATOM 0 H ILE A 16 -5.785 1.297 8.583 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.028 2.110 9.221 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.913 0.992 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.015 -0.645 8.920 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.680 -0.510 8.389 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.569 0.245 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.688 2.002 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.298 0.932 8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.651 -2.557 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.072 -1.461 6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.381 -1.598 6.732 1.00 0.00 H new ATOM 266 N LEU A 17 -5.027 4.037 8.070 1.00 0.00 N ATOM 267 CA LEU A 17 -5.304 5.322 7.426 1.00 0.00 C ATOM 268 C LEU A 17 -5.901 6.308 8.426 1.00 0.00 C ATOM 269 O LEU A 17 -6.539 7.285 8.039 1.00 0.00 O ATOM 270 CB LEU A 17 -6.260 5.128 6.248 1.00 0.00 C ATOM 271 CG LEU A 17 -5.595 4.719 4.935 1.00 0.00 C ATOM 272 CD1 LEU A 17 -6.640 4.517 3.847 1.00 0.00 C ATOM 273 CD2 LEU A 17 -4.577 5.761 4.506 1.00 0.00 C ATOM 0 H LEU A 17 -5.688 3.780 8.803 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.363 5.730 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.994 4.369 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.806 6.057 6.087 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.075 3.774 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.148 4.226 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.334 3.734 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.187 5.447 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.114 5.453 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.075 6.720 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.811 5.859 5.275 1.00 0.00 H new ATOM 285 N ALA A 18 -5.684 6.043 9.713 1.00 0.00 N ATOM 286 CA ALA A 18 -6.190 6.907 10.764 1.00 0.00 C ATOM 287 C ALA A 18 -5.076 7.751 11.364 1.00 0.00 C ATOM 288 O ALA A 18 -5.292 8.903 11.736 1.00 0.00 O ATOM 289 CB ALA A 18 -6.870 6.077 11.844 1.00 0.00 C ATOM 0 H ALA A 18 -5.160 5.234 10.048 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.923 7.584 10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.245 6.736 12.627 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.700 5.522 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.152 5.378 12.272 1.00 0.00 H new ATOM 295 N ASN A 19 -3.877 7.174 11.459 1.00 0.00 N ATOM 296 CA ASN A 19 -2.733 7.879 12.015 1.00 0.00 C ATOM 297 C ASN A 19 -1.425 7.198 11.654 1.00 0.00 C ATOM 298 O ASN A 19 -1.337 5.965 11.611 1.00 0.00 O ATOM 299 CB ASN A 19 -2.844 7.985 13.538 1.00 0.00 C ATOM 300 CG ASN A 19 -3.644 6.850 14.149 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.414 5.632 13.662 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.451 7.063 15.049 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.678 6.220 11.157 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.736 8.879 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.844 7.993 13.971 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.312 8.935 13.799 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.595 8.013 15.391 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.978 6.290 15.455 1.00 0.00 H new ATOM 309 N LYS A 20 -0.403 8.009 11.401 1.00 0.00 N ATOM 310 CA LYS A 20 0.885 7.495 11.045 1.00 0.00 C ATOM 311 C LYS A 20 1.347 6.431 12.040 1.00 0.00 C ATOM 312 O LYS A 20 2.141 5.559 11.702 1.00 0.00 O ATOM 313 CB LYS A 20 1.943 8.611 10.954 1.00 0.00 C ATOM 314 CG LYS A 20 1.480 9.984 11.429 1.00 0.00 C ATOM 315 CD LYS A 20 1.152 9.989 12.909 1.00 0.00 C ATOM 316 CE LYS A 20 2.414 10.088 13.756 1.00 0.00 C ATOM 317 NZ LYS A 20 2.145 9.798 15.194 1.00 0.00 N ATOM 0 H LYS A 20 -0.457 9.027 11.440 1.00 0.00 H new ATOM 0 HA LYS A 20 0.780 7.041 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.812 8.315 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.272 8.694 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.259 10.720 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.600 10.287 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.493 10.828 13.135 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.609 9.079 13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.160 9.389 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.837 11.088 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.030 9.876 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.452 10.481 15.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.765 8.834 15.289 1.00 0.00 H new ATOM 331 N ARG A 21 0.847 6.503 13.266 1.00 0.00 N ATOM 332 CA ARG A 21 1.224 5.538 14.293 1.00 0.00 C ATOM 333 C ARG A 21 0.972 4.107 13.827 1.00 0.00 C ATOM 334 O ARG A 21 1.809 3.221 14.024 1.00 0.00 O ATOM 335 CB ARG A 21 0.455 5.814 15.590 1.00 0.00 C ATOM 336 CG ARG A 21 -1.021 5.779 15.419 1.00 0.00 C ATOM 337 CD ARG A 21 -1.714 6.676 16.434 1.00 0.00 C ATOM 338 NE ARG A 21 -1.165 6.512 17.778 1.00 0.00 N ATOM 339 CZ ARG A 21 -1.367 5.434 18.530 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.105 4.424 18.081 1.00 0.00 N ATOM 341 NH2 ARG A 21 -0.831 5.365 19.743 1.00 0.00 N ATOM 0 H ARG A 21 0.184 7.214 13.574 1.00 0.00 H new ATOM 0 HA ARG A 21 2.292 5.649 14.481 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.744 5.077 16.339 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.746 6.791 15.975 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.280 6.099 14.410 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.378 4.755 15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.613 7.717 16.126 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.780 6.450 16.448 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.595 7.266 18.161 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.523 4.471 17.152 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.254 3.602 18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.266 6.138 20.096 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.984 4.539 20.322 1.00 0.00 H new ATOM 355 N LEU A 22 -0.150 3.881 13.202 1.00 0.00 N ATOM 356 CA LEU A 22 -0.495 2.552 12.718 1.00 0.00 C ATOM 357 C LEU A 22 -0.090 2.378 11.267 1.00 0.00 C ATOM 358 O LEU A 22 0.442 1.353 10.881 1.00 0.00 O ATOM 359 CB LEU A 22 -1.992 2.298 12.879 1.00 0.00 C ATOM 360 CG LEU A 22 -2.477 2.182 14.322 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.992 2.302 14.390 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.016 0.871 14.938 1.00 0.00 C ATOM 0 H LEU A 22 -0.851 4.597 13.010 1.00 0.00 H new ATOM 0 HA LEU A 22 0.054 1.824 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.537 3.107 12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.248 1.379 12.351 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.043 3.001 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.318 2.217 15.427 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.299 3.269 13.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.447 1.506 13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.372 0.807 15.966 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.418 0.037 14.363 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.927 0.827 14.927 1.00 0.00 H new ATOM 374 N LEU A 23 -0.360 3.399 10.461 1.00 0.00 N ATOM 375 CA LEU A 23 -0.023 3.366 9.049 1.00 0.00 C ATOM 376 C LEU A 23 1.457 3.129 8.888 1.00 0.00 C ATOM 377 O LEU A 23 1.892 2.363 8.019 1.00 0.00 O ATOM 378 CB LEU A 23 -0.458 4.680 8.386 1.00 0.00 C ATOM 379 CG LEU A 23 0.474 5.298 7.364 1.00 0.00 C ATOM 380 CD1 LEU A 23 -0.237 6.287 6.487 1.00 0.00 C ATOM 381 CD2 LEU A 23 1.638 5.979 8.072 1.00 0.00 C ATOM 0 H LEU A 23 -0.813 4.261 10.766 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.551 2.549 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.419 4.509 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.624 5.414 9.175 1.00 0.00 H new ATOM 0 HG LEU A 23 0.847 4.496 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.466 6.707 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.045 5.786 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.650 7.087 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.305 6.422 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.257 6.760 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.186 5.244 8.661 1.00 0.00 H new ATOM 393 N VAL A 24 2.250 3.777 9.741 1.00 0.00 N ATOM 394 CA VAL A 24 3.698 3.627 9.701 1.00 0.00 C ATOM 395 C VAL A 24 4.101 2.287 10.280 1.00 0.00 C ATOM 396 O VAL A 24 4.963 1.601 9.732 1.00 0.00 O ATOM 397 CB VAL A 24 4.411 4.763 10.462 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.902 4.474 10.587 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.185 6.097 9.773 1.00 0.00 C ATOM 0 H VAL A 24 1.911 4.409 10.466 1.00 0.00 H new ATOM 0 HA VAL A 24 4.005 3.679 8.657 1.00 0.00 H new ATOM 0 HB VAL A 24 3.986 4.818 11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.386 5.288 11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.047 3.541 11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.340 4.387 9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.697 6.884 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.579 6.053 8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.117 6.313 9.739 1.00 0.00 H new ATOM 409 N ALA A 25 3.481 1.904 11.394 1.00 0.00 N ATOM 410 CA ALA A 25 3.793 0.630 12.025 1.00 0.00 C ATOM 411 C ALA A 25 3.604 -0.486 11.043 1.00 0.00 C ATOM 412 O ALA A 25 4.457 -1.366 10.931 1.00 0.00 O ATOM 413 CB ALA A 25 2.940 0.429 13.271 1.00 0.00 C ATOM 0 H ALA A 25 2.767 2.453 11.872 1.00 0.00 H new ATOM 0 HA ALA A 25 4.837 0.632 12.339 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.186 -0.528 13.730 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.137 1.233 13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.885 0.439 12.995 1.00 0.00 H new ATOM 419 N TYR A 26 2.492 -0.460 10.317 1.00 0.00 N ATOM 420 CA TYR A 26 2.220 -1.490 9.324 1.00 0.00 C ATOM 421 C TYR A 26 3.244 -1.388 8.210 1.00 0.00 C ATOM 422 O TYR A 26 3.869 -2.380 7.828 1.00 0.00 O ATOM 423 CB TYR A 26 0.806 -1.355 8.753 1.00 0.00 C ATOM 424 CG TYR A 26 0.350 -2.572 7.964 1.00 0.00 C ATOM 425 CD1 TYR A 26 0.820 -3.844 8.276 1.00 0.00 C ATOM 426 CD2 TYR A 26 -0.510 -2.441 6.904 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.412 -4.945 7.551 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.919 -3.534 6.175 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.453 -4.789 6.503 1.00 0.00 C ATOM 430 OH TYR A 26 -0.852 -5.886 5.777 1.00 0.00 O ATOM 0 H TYR A 26 1.771 0.257 10.397 1.00 0.00 H new ATOM 0 HA TYR A 26 2.290 -2.465 9.805 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.108 -1.180 9.572 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.766 -0.478 8.107 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.512 -3.971 9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.874 -1.460 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.775 -5.928 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.603 -3.409 5.349 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.453 -5.849 4.882 1.00 0.00 H new ATOM 440 N VAL A 27 3.436 -0.173 7.702 1.00 0.00 N ATOM 441 CA VAL A 27 4.405 0.033 6.642 1.00 0.00 C ATOM 442 C VAL A 27 5.795 -0.385 7.086 1.00 0.00 C ATOM 443 O VAL A 27 6.526 -1.019 6.326 1.00 0.00 O ATOM 444 CB VAL A 27 4.446 1.514 6.220 1.00 0.00 C ATOM 445 CG1 VAL A 27 5.563 1.761 5.215 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.106 1.939 5.651 1.00 0.00 C ATOM 0 H VAL A 27 2.941 0.666 8.004 1.00 0.00 H new ATOM 0 HA VAL A 27 4.095 -0.581 5.796 1.00 0.00 H new ATOM 0 HB VAL A 27 4.651 2.117 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.572 2.814 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.521 1.498 5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.397 1.149 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.151 2.988 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.871 1.328 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.331 1.807 6.406 1.00 0.00 H new ATOM 456 N ASN A 28 6.149 -0.086 8.335 1.00 0.00 N ATOM 457 CA ASN A 28 7.439 -0.490 8.873 1.00 0.00 C ATOM 458 C ASN A 28 7.421 -1.985 9.134 1.00 0.00 C ATOM 459 O ASN A 28 8.455 -2.655 9.061 1.00 0.00 O ATOM 460 CB ASN A 28 7.748 0.245 10.164 1.00 0.00 C ATOM 461 CG ASN A 28 8.505 1.529 9.901 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.650 1.957 8.758 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.989 2.157 10.967 1.00 0.00 N ATOM 0 H ASN A 28 5.561 0.432 8.988 1.00 0.00 H new ATOM 0 HA ASN A 28 8.212 -0.242 8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.819 0.469 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.336 -0.398 10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.504 3.030 10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.845 1.766 11.898 1.00 0.00 H new ATOM 470 N CYS A 29 6.231 -2.505 9.407 1.00 0.00 N ATOM 471 CA CYS A 29 6.055 -3.922 9.645 1.00 0.00 C ATOM 472 C CYS A 29 6.293 -4.691 8.357 1.00 0.00 C ATOM 473 O CYS A 29 6.752 -5.835 8.378 1.00 0.00 O ATOM 474 CB CYS A 29 4.648 -4.190 10.167 1.00 0.00 C ATOM 475 SG CYS A 29 4.492 -4.117 11.978 1.00 0.00 S ATOM 0 H CYS A 29 5.372 -1.958 9.468 1.00 0.00 H new ATOM 0 HA CYS A 29 6.775 -4.253 10.393 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.965 -3.463 9.726 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.329 -5.175 9.826 1.00 0.00 H new ATOM 480 N VAL A 30 5.994 -4.054 7.224 1.00 0.00 N ATOM 481 CA VAL A 30 6.192 -4.675 5.920 1.00 0.00 C ATOM 482 C VAL A 30 7.639 -5.123 5.765 1.00 0.00 C ATOM 483 O VAL A 30 7.919 -6.117 5.094 1.00 0.00 O ATOM 484 CB VAL A 30 5.830 -3.706 4.773 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.065 -4.358 3.417 1.00 0.00 C ATOM 486 CG2 VAL A 30 4.390 -3.237 4.902 1.00 0.00 C ATOM 0 H VAL A 30 5.614 -3.108 7.186 1.00 0.00 H new ATOM 0 HA VAL A 30 5.531 -5.540 5.863 1.00 0.00 H new ATOM 0 HB VAL A 30 6.481 -2.835 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.803 -3.656 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.115 -4.635 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.445 -5.251 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.155 -2.555 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.722 -4.097 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.259 -2.721 5.853 1.00 0.00 H new ATOM 496 N MET A 31 8.547 -4.393 6.406 1.00 0.00 N ATOM 497 CA MET A 31 9.957 -4.721 6.352 1.00 0.00 C ATOM 498 C MET A 31 10.237 -6.004 7.135 1.00 0.00 C ATOM 499 O MET A 31 10.795 -6.963 6.599 1.00 0.00 O ATOM 500 CB MET A 31 10.782 -3.559 6.910 1.00 0.00 C ATOM 501 CG MET A 31 12.225 -3.919 7.210 1.00 0.00 C ATOM 502 SD MET A 31 13.398 -2.743 6.510 1.00 0.00 S ATOM 503 CE MET A 31 14.342 -3.813 5.418 1.00 0.00 C ATOM 0 H MET A 31 8.325 -3.571 6.968 1.00 0.00 H new ATOM 0 HA MET A 31 10.242 -4.888 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.764 -2.737 6.195 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.310 -3.197 7.824 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.366 -3.967 8.290 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.436 -4.913 6.817 1.00 0.00 H new ATOM 0 HE1 MET A 31 15.110 -3.229 4.911 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.814 -4.604 6.002 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.676 -4.256 4.678 1.00 0.00 H new ATOM 513 N GLU A 32 9.822 -6.016 8.411 1.00 0.00 N ATOM 514 CA GLU A 32 10.005 -7.172 9.287 1.00 0.00 C ATOM 515 C GLU A 32 9.988 -6.750 10.752 1.00 0.00 C ATOM 516 O GLU A 32 11.038 -6.540 11.360 1.00 0.00 O ATOM 517 CB GLU A 32 11.323 -7.899 8.990 1.00 0.00 C ATOM 518 CG GLU A 32 11.152 -9.158 8.151 1.00 0.00 C ATOM 519 CD GLU A 32 10.916 -10.395 8.997 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.440 -10.447 10.133 1.00 0.00 O ATOM 521 OE2 GLU A 32 10.204 -11.308 8.528 1.00 0.00 O ATOM 0 H GLU A 32 9.354 -5.228 8.858 1.00 0.00 H new ATOM 0 HA GLU A 32 9.176 -7.853 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.996 -7.216 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.802 -8.164 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.313 -9.024 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.041 -9.306 7.538 1.00 0.00 H new ATOM 528 N ARG A 33 8.795 -6.613 11.319 1.00 0.00 N ATOM 529 CA ARG A 33 8.649 -6.212 12.713 1.00 0.00 C ATOM 530 C ARG A 33 8.057 -7.338 13.562 1.00 0.00 C ATOM 531 O ARG A 33 8.236 -7.365 14.775 1.00 0.00 O ATOM 532 CB ARG A 33 7.766 -4.971 12.809 1.00 0.00 C ATOM 533 CG ARG A 33 8.480 -3.686 12.444 1.00 0.00 C ATOM 534 CD ARG A 33 8.971 -2.950 13.684 1.00 0.00 C ATOM 535 NE ARG A 33 10.065 -3.663 14.338 1.00 0.00 N ATOM 536 CZ ARG A 33 10.440 -3.442 15.604 1.00 0.00 C ATOM 537 NH1 ARG A 33 9.814 -2.525 16.332 1.00 0.00 N ATOM 538 NH2 ARG A 33 11.442 -4.132 16.125 1.00 0.00 N ATOM 0 H ARG A 33 7.913 -6.774 10.833 1.00 0.00 H new ATOM 0 HA ARG A 33 9.642 -5.985 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.905 -5.097 12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.382 -4.887 13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.326 -3.910 11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.806 -3.041 11.880 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.303 -1.950 13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.146 -2.828 14.385 1.00 0.00 H new ATOM 0 HE ARG A 33 10.571 -4.368 13.801 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.047 -1.989 15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.100 -2.357 17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.927 -4.831 15.562 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.729 -3.965 17.089 1.00 0.00 H new ATOM 552 N GLY A 34 7.357 -8.261 12.916 1.00 0.00 N ATOM 553 CA GLY A 34 6.752 -9.370 13.634 1.00 0.00 C ATOM 554 C GLY A 34 5.341 -9.062 14.098 1.00 0.00 C ATOM 555 O GLY A 34 4.994 -7.905 14.325 1.00 0.00 O ATOM 0 H GLY A 34 7.196 -8.263 11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.735 -10.249 12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.369 -9.619 14.498 1.00 0.00 H new ATOM 559 N LYS A 35 4.523 -10.104 14.239 1.00 0.00 N ATOM 560 CA LYS A 35 3.138 -9.942 14.676 1.00 0.00 C ATOM 561 C LYS A 35 2.385 -8.972 13.769 1.00 0.00 C ATOM 562 O LYS A 35 1.376 -8.391 14.171 1.00 0.00 O ATOM 563 CB LYS A 35 3.092 -9.445 16.124 1.00 0.00 C ATOM 564 CG LYS A 35 1.934 -10.019 16.926 1.00 0.00 C ATOM 565 CD LYS A 35 2.314 -10.230 18.379 1.00 0.00 C ATOM 566 CE LYS A 35 2.690 -11.675 18.656 1.00 0.00 C ATOM 567 NZ LYS A 35 4.151 -11.914 18.483 1.00 0.00 N ATOM 0 H LYS A 35 4.796 -11.070 14.057 1.00 0.00 H new ATOM 0 HA LYS A 35 2.651 -10.915 14.616 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.029 -9.703 16.618 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.020 -8.357 16.124 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.080 -9.345 16.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.622 -10.968 16.489 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.151 -9.581 18.634 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.480 -9.942 19.019 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.397 -11.937 19.673 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.133 -12.330 17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.365 -12.912 18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.426 -11.688 17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.682 -11.308 19.141 1.00 0.00 H new ATOM 581 N CYS A 36 2.879 -8.819 12.548 1.00 0.00 N ATOM 582 CA CYS A 36 2.250 -7.931 11.577 1.00 0.00 C ATOM 583 C CYS A 36 1.936 -8.695 10.298 1.00 0.00 C ATOM 584 O CYS A 36 0.879 -8.499 9.690 1.00 0.00 O ATOM 585 CB CYS A 36 3.158 -6.749 11.273 1.00 0.00 C ATOM 586 SG CYS A 36 2.905 -5.318 12.378 1.00 0.00 S ATOM 0 H CYS A 36 3.712 -9.297 12.206 1.00 0.00 H new ATOM 0 HA CYS A 36 1.319 -7.553 12.001 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.196 -7.073 11.346 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.994 -6.433 10.243 1.00 0.00 H new ATOM 591 N SER A 37 2.844 -9.575 9.900 1.00 0.00 N ATOM 592 CA SER A 37 2.651 -10.383 8.701 1.00 0.00 C ATOM 593 C SER A 37 1.295 -11.082 8.741 1.00 0.00 C ATOM 594 O SER A 37 0.503 -10.965 7.804 1.00 0.00 O ATOM 595 CB SER A 37 3.771 -11.413 8.565 1.00 0.00 C ATOM 596 OG SER A 37 4.919 -11.018 9.298 1.00 0.00 O ATOM 0 H SER A 37 3.722 -9.749 10.389 1.00 0.00 H new ATOM 0 HA SER A 37 2.677 -9.723 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.423 -12.382 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.031 -11.535 7.514 1.00 0.00 H new ATOM 0 HG SER A 37 5.159 -10.098 9.060 1.00 0.00 H new ATOM 602 N PRO A 38 0.998 -11.814 9.834 1.00 0.00 N ATOM 603 CA PRO A 38 -0.263 -12.518 9.981 1.00 0.00 C ATOM 604 C PRO A 38 -1.418 -11.549 10.122 1.00 0.00 C ATOM 605 O PRO A 38 -2.456 -11.717 9.484 1.00 0.00 O ATOM 606 CB PRO A 38 -0.091 -13.334 11.263 1.00 0.00 C ATOM 607 CG PRO A 38 0.958 -12.614 12.029 1.00 0.00 C ATOM 608 CD PRO A 38 1.874 -12.004 11.006 1.00 0.00 C ATOM 0 HA PRO A 38 -0.491 -13.136 9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.023 -13.390 11.825 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.211 -14.358 11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.518 -11.846 12.666 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.502 -13.297 12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.292 -11.059 11.353 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.715 -12.659 10.778 1.00 0.00 H new ATOM 616 N GLU A 39 -1.234 -10.522 10.944 1.00 0.00 N ATOM 617 CA GLU A 39 -2.267 -9.516 11.150 1.00 0.00 C ATOM 618 C GLU A 39 -2.609 -8.826 9.830 1.00 0.00 C ATOM 619 O GLU A 39 -3.754 -8.842 9.378 1.00 0.00 O ATOM 620 CB GLU A 39 -1.818 -8.482 12.182 1.00 0.00 C ATOM 621 CG GLU A 39 -1.376 -9.092 13.497 1.00 0.00 C ATOM 622 CD GLU A 39 -2.500 -9.809 14.217 1.00 0.00 C ATOM 623 OE1 GLU A 39 -2.831 -10.945 13.822 1.00 0.00 O ATOM 624 OE2 GLU A 39 -3.049 -9.233 15.178 1.00 0.00 O ATOM 0 H GLU A 39 -0.379 -10.365 11.478 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.159 -10.017 11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.996 -7.899 11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.638 -7.788 12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.563 -9.794 13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.980 -8.307 14.142 1.00 0.00 H new ATOM 631 N GLY A 40 -1.594 -8.229 9.209 1.00 0.00 N ATOM 632 CA GLY A 40 -1.785 -7.552 7.941 1.00 0.00 C ATOM 633 C GLY A 40 -1.833 -8.517 6.769 1.00 0.00 C ATOM 634 O GLY A 40 -2.009 -8.103 5.622 1.00 0.00 O ATOM 0 H GLY A 40 -0.639 -8.203 9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.712 -6.979 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.975 -6.839 7.788 1.00 0.00 H new ATOM 638 N LYS A 41 -1.659 -9.805 7.056 1.00 0.00 N ATOM 639 CA LYS A 41 -1.658 -10.843 6.029 1.00 0.00 C ATOM 640 C LYS A 41 -2.817 -10.693 5.056 1.00 0.00 C ATOM 641 O LYS A 41 -2.719 -11.106 3.905 1.00 0.00 O ATOM 642 CB LYS A 41 -1.701 -12.230 6.671 1.00 0.00 C ATOM 643 CG LYS A 41 -0.924 -13.280 5.906 1.00 0.00 C ATOM 644 CD LYS A 41 0.554 -13.042 6.004 1.00 0.00 C ATOM 645 CE LYS A 41 1.343 -14.102 5.258 1.00 0.00 C ATOM 646 NZ LYS A 41 2.804 -13.978 5.490 1.00 0.00 N ATOM 0 H LYS A 41 -1.515 -10.157 8.002 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.733 -10.729 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.304 -12.164 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.740 -12.549 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.162 -14.269 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.228 -13.270 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.792 -12.059 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.853 -13.036 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.009 -15.091 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.138 -14.022 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.304 -14.722 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.129 -13.045 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.004 -14.081 6.505 1.00 0.00 H new ATOM 660 N GLU A 42 -3.915 -10.100 5.508 1.00 0.00 N ATOM 661 CA GLU A 42 -5.072 -9.904 4.648 1.00 0.00 C ATOM 662 C GLU A 42 -4.757 -8.890 3.562 1.00 0.00 C ATOM 663 O GLU A 42 -5.016 -9.128 2.379 1.00 0.00 O ATOM 664 CB GLU A 42 -6.284 -9.445 5.462 1.00 0.00 C ATOM 665 CG GLU A 42 -7.609 -9.938 4.914 1.00 0.00 C ATOM 666 CD GLU A 42 -8.614 -10.262 6.005 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.237 -10.970 6.963 1.00 0.00 O ATOM 668 OE2 GLU A 42 -9.770 -9.800 5.908 1.00 0.00 O ATOM 0 H GLU A 42 -4.027 -9.749 6.459 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.314 -10.859 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.174 -9.793 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.297 -8.356 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.029 -9.179 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.438 -10.828 4.308 1.00 0.00 H new ATOM 675 N LEU A 43 -4.185 -7.764 3.969 1.00 0.00 N ATOM 676 CA LEU A 43 -3.817 -6.721 3.025 1.00 0.00 C ATOM 677 C LEU A 43 -2.711 -7.206 2.100 1.00 0.00 C ATOM 678 O LEU A 43 -2.713 -6.914 0.902 1.00 0.00 O ATOM 679 CB LEU A 43 -3.383 -5.464 3.778 1.00 0.00 C ATOM 680 CG LEU A 43 -4.319 -5.032 4.909 1.00 0.00 C ATOM 681 CD1 LEU A 43 -3.710 -5.356 6.265 1.00 0.00 C ATOM 682 CD2 LEU A 43 -4.639 -3.548 4.800 1.00 0.00 C ATOM 0 H LEU A 43 -3.967 -7.552 4.943 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.685 -6.476 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.389 -5.632 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.296 -4.644 3.065 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.251 -5.590 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.392 -5.041 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.540 -6.430 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.762 -4.830 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.306 -3.259 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.716 -2.971 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.124 -3.350 3.844 1.00 0.00 H new ATOM 694 N LYS A 44 -1.770 -7.967 2.658 1.00 0.00 N ATOM 695 CA LYS A 44 -0.679 -8.495 1.869 1.00 0.00 C ATOM 696 C LYS A 44 -1.173 -9.640 0.994 1.00 0.00 C ATOM 697 O LYS A 44 -0.732 -9.802 -0.115 1.00 0.00 O ATOM 698 CB LYS A 44 0.436 -8.979 2.772 1.00 0.00 C ATOM 699 CG LYS A 44 1.666 -9.444 2.011 1.00 0.00 C ATOM 700 CD LYS A 44 2.357 -10.599 2.713 1.00 0.00 C ATOM 701 CE LYS A 44 1.951 -11.936 2.104 1.00 0.00 C ATOM 702 NZ LYS A 44 2.889 -12.367 1.036 1.00 0.00 N ATOM 0 H LYS A 44 -1.748 -8.225 3.645 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.294 -7.700 1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.720 -8.175 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.066 -9.799 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.378 -9.749 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.364 -8.613 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.438 -10.477 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.104 -10.587 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.917 -12.695 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.945 -11.857 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.577 -13.280 0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.903 -11.655 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.845 -12.468 1.433 1.00 0.00 H new ATOM 716 N GLU A 45 -2.110 -10.408 1.520 1.00 0.00 N ATOM 717 CA GLU A 45 -2.692 -11.507 0.771 1.00 0.00 C ATOM 718 C GLU A 45 -3.438 -10.944 -0.393 1.00 0.00 C ATOM 719 O GLU A 45 -3.406 -11.505 -1.490 1.00 0.00 O ATOM 720 CB GLU A 45 -3.637 -12.328 1.647 1.00 0.00 C ATOM 721 CG GLU A 45 -2.936 -13.408 2.459 1.00 0.00 C ATOM 722 CD GLU A 45 -3.783 -13.921 3.602 1.00 0.00 C ATOM 723 OE1 GLU A 45 -4.335 -13.088 4.355 1.00 0.00 O ATOM 724 OE2 GLU A 45 -3.904 -15.157 3.744 1.00 0.00 O ATOM 0 H GLU A 45 -2.484 -10.291 2.462 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.897 -12.169 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.162 -11.657 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.392 -12.794 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.676 -14.239 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.001 -13.010 2.855 1.00 0.00 H new ATOM 731 N HIS A 46 -4.097 -9.810 -0.168 1.00 0.00 N ATOM 732 CA HIS A 46 -4.840 -9.140 -1.225 1.00 0.00 C ATOM 733 C HIS A 46 -3.886 -8.662 -2.314 1.00 0.00 C ATOM 734 O HIS A 46 -4.038 -9.032 -3.478 1.00 0.00 O ATOM 735 CB HIS A 46 -5.621 -7.957 -0.656 1.00 0.00 C ATOM 736 CG HIS A 46 -7.017 -8.306 -0.247 1.00 0.00 C ATOM 737 ND1 HIS A 46 -7.678 -7.686 0.772 1.00 0.00 N ATOM 738 CD2 HIS A 46 -7.890 -9.218 -0.744 1.00 0.00 C ATOM 739 CE1 HIS A 46 -8.886 -8.203 0.897 1.00 0.00 C ATOM 740 NE2 HIS A 46 -9.040 -9.133 0.000 1.00 0.00 N ATOM 0 H HIS A 46 -4.130 -9.339 0.736 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.545 -9.849 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.086 -7.560 0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.657 -7.163 -1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.713 -9.888 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.626 -7.903 1.625 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.876 -9.703 -0.129 1.00 0.00 H new ATOM 749 N LEU A 47 -2.897 -7.846 -1.920 1.00 0.00 N ATOM 750 CA LEU A 47 -1.899 -7.310 -2.856 1.00 0.00 C ATOM 751 C LEU A 47 -1.203 -6.115 -2.244 1.00 0.00 C ATOM 752 O LEU A 47 -1.626 -4.985 -2.448 1.00 0.00 O ATOM 753 CB LEU A 47 -2.545 -6.896 -4.186 1.00 0.00 C ATOM 754 CG LEU A 47 -1.594 -6.486 -5.318 1.00 0.00 C ATOM 755 CD1 LEU A 47 -0.456 -5.632 -4.809 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.077 -7.717 -6.037 1.00 0.00 C ATOM 0 H LEU A 47 -2.767 -7.542 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.173 -8.099 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.156 -7.726 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.220 -6.063 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.155 -5.878 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.196 -5.362 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.856 -4.727 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.115 -6.191 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.403 -7.414 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.540 -8.352 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.916 -8.271 -6.458 1.00 0.00 H new ATOM 768 N GLN A 48 -0.148 -6.345 -1.480 1.00 0.00 N ATOM 769 CA GLN A 48 0.548 -5.245 -0.839 1.00 0.00 C ATOM 770 C GLN A 48 -0.436 -4.193 -0.380 1.00 0.00 C ATOM 771 O GLN A 48 -0.175 -2.993 -0.438 1.00 0.00 O ATOM 772 CB GLN A 48 1.575 -4.640 -1.785 1.00 0.00 C ATOM 773 CG GLN A 48 3.001 -4.693 -1.254 1.00 0.00 C ATOM 774 CD GLN A 48 3.132 -4.099 0.109 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.923 -4.926 1.112 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 3.407 -2.910 0.261 1.00 0.00 N flip ATOM 0 H GLN A 48 0.240 -7.269 -1.291 1.00 0.00 H new ATOM 0 HA GLN A 48 1.072 -5.631 0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.532 -5.166 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.308 -3.602 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.336 -5.730 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.660 -4.163 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.559 -2.314 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.483 -2.520 1.201 1.00 0.00 H new ATOM 785 N ASP A 49 -1.600 -4.688 0.020 1.00 0.00 N ATOM 786 CA ASP A 49 -2.720 -3.860 0.430 1.00 0.00 C ATOM 787 C ASP A 49 -3.739 -3.749 -0.680 1.00 0.00 C ATOM 788 O ASP A 49 -4.448 -2.748 -0.790 1.00 0.00 O ATOM 789 CB ASP A 49 -2.268 -2.467 0.865 1.00 0.00 C ATOM 790 CG ASP A 49 -3.290 -1.775 1.748 1.00 0.00 C ATOM 791 OD1 ASP A 49 -4.297 -1.271 1.209 1.00 0.00 O ATOM 792 OD2 ASP A 49 -3.087 -1.745 2.981 1.00 0.00 O ATOM 0 H ASP A 49 -1.792 -5.689 0.068 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.181 -4.347 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.323 -2.546 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.083 -1.856 -0.018 1.00 0.00 H new ATOM 797 N ALA A 50 -3.810 -4.785 -1.534 1.00 0.00 N ATOM 798 CA ALA A 50 -4.747 -4.796 -2.664 1.00 0.00 C ATOM 799 C ALA A 50 -4.261 -3.903 -3.808 1.00 0.00 C ATOM 800 O ALA A 50 -5.045 -3.501 -4.659 1.00 0.00 O ATOM 801 CB ALA A 50 -6.105 -4.321 -2.208 1.00 0.00 C ATOM 0 H ALA A 50 -3.231 -5.621 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.810 -5.820 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.796 -4.331 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.478 -4.982 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.024 -3.306 -1.818 1.00 0.00 H new ATOM 807 N ILE A 51 -2.973 -3.590 -3.800 1.00 0.00 N ATOM 808 CA ILE A 51 -2.397 -2.724 -4.829 1.00 0.00 C ATOM 809 C ILE A 51 -2.176 -3.460 -6.171 1.00 0.00 C ATOM 810 O ILE A 51 -3.025 -4.247 -6.590 1.00 0.00 O ATOM 811 CB ILE A 51 -1.082 -2.076 -4.344 1.00 0.00 C ATOM 812 CG1 ILE A 51 -1.148 -1.794 -2.839 1.00 0.00 C ATOM 813 CG2 ILE A 51 -0.806 -0.789 -5.114 1.00 0.00 C ATOM 814 CD1 ILE A 51 0.026 -1.038 -2.306 1.00 0.00 C ATOM 0 H ILE A 51 -2.308 -3.918 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.128 -1.936 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.265 -2.773 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.056 -1.230 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.228 -2.742 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.124 -0.345 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.719 -1.013 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.625 -0.088 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.099 -0.880 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.938 -1.608 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.097 -0.074 -2.809 1.00 0.00 H new ATOM 826 N GLU A 52 -1.049 -3.177 -6.841 1.00 0.00 N ATOM 827 CA GLU A 52 -0.712 -3.780 -8.140 1.00 0.00 C ATOM 828 C GLU A 52 -1.934 -4.075 -8.995 1.00 0.00 C ATOM 829 O GLU A 52 -2.534 -3.168 -9.572 1.00 0.00 O ATOM 830 CB GLU A 52 0.114 -5.038 -7.941 1.00 0.00 C ATOM 831 CG GLU A 52 0.477 -5.771 -9.225 1.00 0.00 C ATOM 832 CD GLU A 52 1.854 -5.396 -9.742 1.00 0.00 C ATOM 833 OE1 GLU A 52 2.814 -5.428 -8.944 1.00 0.00 O ATOM 834 OE2 GLU A 52 1.968 -5.074 -10.945 1.00 0.00 O ATOM 0 H GLU A 52 -0.345 -2.523 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.123 -3.042 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.033 -4.774 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.437 -5.720 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.440 -6.846 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.267 -5.548 -9.989 1.00 0.00 H new ATOM 841 N ASN A 53 -2.305 -5.351 -9.088 1.00 0.00 N ATOM 842 CA ASN A 53 -3.448 -5.751 -9.881 1.00 0.00 C ATOM 843 C ASN A 53 -4.046 -7.050 -9.342 1.00 0.00 C ATOM 844 O ASN A 53 -4.312 -7.982 -10.100 1.00 0.00 O ATOM 845 CB ASN A 53 -3.040 -5.929 -11.341 1.00 0.00 C ATOM 846 CG ASN A 53 -4.025 -5.303 -12.303 1.00 0.00 C ATOM 847 OD1 ASN A 53 -3.607 -5.128 -13.555 1.00 0.00 O flip ATOM 848 ND2 ASN A 53 -5.154 -4.975 -11.934 1.00 0.00 N flip ATOM 0 H ASN A 53 -1.825 -6.120 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.203 -4.968 -9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.056 -5.486 -11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.949 -6.993 -11.561 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.438 -5.125 -10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.805 -4.553 -12.597 1.00 0.00 H new ATOM 855 N GLY A 54 -4.239 -7.115 -8.023 1.00 0.00 N ATOM 856 CA GLY A 54 -4.781 -8.315 -7.423 1.00 0.00 C ATOM 857 C GLY A 54 -6.287 -8.297 -7.329 1.00 0.00 C ATOM 858 O GLY A 54 -6.982 -8.502 -8.321 1.00 0.00 O ATOM 0 H GLY A 54 -4.030 -6.361 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.469 -9.180 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.361 -8.437 -6.424 1.00 0.00 H new ATOM 862 N CYS A 55 -6.796 -8.070 -6.123 1.00 0.00 N ATOM 863 CA CYS A 55 -8.243 -8.048 -5.899 1.00 0.00 C ATOM 864 C CYS A 55 -8.872 -9.289 -6.525 1.00 0.00 C ATOM 865 O CYS A 55 -9.741 -9.197 -7.390 1.00 0.00 O ATOM 866 CB CYS A 55 -8.861 -6.774 -6.477 1.00 0.00 C ATOM 867 SG CYS A 55 -9.524 -5.619 -5.230 1.00 0.00 S ATOM 0 H CYS A 55 -6.235 -7.899 -5.288 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.439 -8.053 -4.827 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.106 -6.256 -7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.664 -7.052 -7.159 1.00 0.00 H new ATOM 872 N LYS A 56 -8.387 -10.445 -6.086 1.00 0.00 N ATOM 873 CA LYS A 56 -8.846 -11.740 -6.590 1.00 0.00 C ATOM 874 C LYS A 56 -10.357 -11.757 -6.804 1.00 0.00 C ATOM 875 O LYS A 56 -10.860 -12.406 -7.725 1.00 0.00 O ATOM 876 CB LYS A 56 -8.438 -12.850 -5.621 1.00 0.00 C ATOM 877 CG LYS A 56 -7.007 -12.724 -5.116 1.00 0.00 C ATOM 878 CD LYS A 56 -6.187 -13.956 -5.444 1.00 0.00 C ATOM 879 CE LYS A 56 -5.616 -13.897 -6.855 1.00 0.00 C ATOM 880 NZ LYS A 56 -6.476 -14.622 -7.832 1.00 0.00 N ATOM 0 H LYS A 56 -7.664 -10.514 -5.370 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.373 -11.911 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.117 -12.844 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.556 -13.814 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.540 -11.846 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.014 -12.568 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.372 -14.052 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.809 -14.845 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.515 -12.856 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.616 -14.330 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.883 -15.017 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.977 -15.394 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.168 -13.963 -8.241 1.00 0.00 H new ATOM 894 N LYS A 57 -11.071 -11.031 -5.957 1.00 0.00 N ATOM 895 CA LYS A 57 -12.524 -10.948 -6.060 1.00 0.00 C ATOM 896 C LYS A 57 -12.934 -9.601 -6.646 1.00 0.00 C ATOM 897 O LYS A 57 -13.451 -9.520 -7.760 1.00 0.00 O ATOM 898 CB LYS A 57 -13.168 -11.139 -4.688 1.00 0.00 C ATOM 899 CG LYS A 57 -14.662 -11.388 -4.747 1.00 0.00 C ATOM 900 CD LYS A 57 -15.448 -10.106 -4.544 1.00 0.00 C ATOM 901 CE LYS A 57 -15.913 -9.955 -3.100 1.00 0.00 C ATOM 902 NZ LYS A 57 -17.114 -10.785 -2.817 1.00 0.00 N ATOM 0 H LYS A 57 -10.670 -10.490 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.870 -11.742 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.688 -11.978 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.980 -10.253 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.921 -11.826 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.942 -12.112 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.829 -9.252 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.313 -10.100 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.106 -10.242 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.139 -8.908 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.400 -10.655 -1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.892 -10.494 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.891 -11.787 -2.985 1.00 0.00 H new ATOM 916 N CYS A 58 -12.678 -8.551 -5.879 1.00 0.00 N ATOM 917 CA CYS A 58 -12.999 -7.188 -6.306 1.00 0.00 C ATOM 918 C CYS A 58 -12.374 -6.879 -7.667 1.00 0.00 C ATOM 919 O CYS A 58 -11.509 -7.616 -8.142 1.00 0.00 O ATOM 920 CB CYS A 58 -12.518 -6.165 -5.267 1.00 0.00 C ATOM 921 SG CYS A 58 -11.020 -6.660 -4.343 1.00 0.00 S ATOM 0 H CYS A 58 -12.248 -8.612 -4.956 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.083 -7.116 -6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.321 -5.220 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -13.324 -5.984 -4.556 1.00 0.00 H new ATOM 926 N THR A 59 -12.823 -5.796 -8.293 1.00 0.00 N ATOM 927 CA THR A 59 -12.309 -5.401 -9.603 1.00 0.00 C ATOM 928 C THR A 59 -12.221 -3.883 -9.722 1.00 0.00 C ATOM 929 O THR A 59 -13.121 -3.163 -9.291 1.00 0.00 O ATOM 930 CB THR A 59 -13.208 -5.962 -10.704 1.00 0.00 C ATOM 931 OG1 THR A 59 -13.274 -7.371 -10.633 1.00 0.00 O ATOM 932 CG2 THR A 59 -12.741 -5.594 -12.101 1.00 0.00 C ATOM 0 H THR A 59 -13.540 -5.176 -7.917 1.00 0.00 H new ATOM 0 HA THR A 59 -11.304 -5.809 -9.714 1.00 0.00 H new ATOM 0 HB THR A 59 -14.187 -5.515 -10.532 1.00 0.00 H new ATOM 0 HG1 THR A 59 -13.856 -7.708 -11.346 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.422 -6.022 -12.837 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.729 -4.509 -12.207 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.737 -5.986 -12.264 1.00 0.00 H new ATOM 940 N GLU A 60 -11.124 -3.401 -10.311 1.00 0.00 N ATOM 941 CA GLU A 60 -10.907 -1.967 -10.492 1.00 0.00 C ATOM 942 C GLU A 60 -10.651 -1.274 -9.163 1.00 0.00 C ATOM 943 O GLU A 60 -9.589 -0.682 -8.964 1.00 0.00 O ATOM 944 CB GLU A 60 -12.105 -1.324 -11.198 1.00 0.00 C ATOM 945 CG GLU A 60 -11.833 0.070 -11.700 1.00 0.00 C ATOM 946 CD GLU A 60 -12.774 0.481 -12.813 1.00 0.00 C ATOM 947 OE1 GLU A 60 -12.910 -0.261 -13.792 1.00 0.00 O ATOM 948 OE2 GLU A 60 -13.374 1.561 -12.708 1.00 0.00 O ATOM 0 H GLU A 60 -10.371 -3.987 -10.671 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.022 -1.844 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.401 -1.952 -12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.949 -1.295 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.924 0.774 -10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.805 0.130 -12.058 1.00 0.00 H new ATOM 955 N ASN A 61 -11.614 -1.362 -8.243 1.00 0.00 N ATOM 956 CA ASN A 61 -11.478 -0.751 -6.923 1.00 0.00 C ATOM 957 C ASN A 61 -10.059 -0.954 -6.400 1.00 0.00 C ATOM 958 O ASN A 61 -9.506 -0.090 -5.716 1.00 0.00 O ATOM 959 CB ASN A 61 -12.490 -1.347 -5.947 1.00 0.00 C ATOM 960 CG ASN A 61 -12.755 -2.821 -6.203 1.00 0.00 C ATOM 961 OD1 ASN A 61 -11.989 -3.487 -6.898 1.00 0.00 O ATOM 962 ND2 ASN A 61 -13.849 -3.329 -5.648 1.00 0.00 N ATOM 0 H ASN A 61 -12.497 -1.851 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.676 0.317 -7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.124 -1.220 -4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.427 -0.796 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.084 -4.311 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.454 -2.737 -5.079 1.00 0.00 H new ATOM 969 N GLN A 62 -9.468 -2.097 -6.744 1.00 0.00 N ATOM 970 CA GLN A 62 -8.097 -2.412 -6.341 1.00 0.00 C ATOM 971 C GLN A 62 -7.193 -1.222 -6.607 1.00 0.00 C ATOM 972 O GLN A 62 -6.501 -0.732 -5.715 1.00 0.00 O ATOM 973 CB GLN A 62 -7.561 -3.649 -7.077 1.00 0.00 C ATOM 974 CG GLN A 62 -8.384 -4.071 -8.288 1.00 0.00 C ATOM 975 CD GLN A 62 -7.677 -5.097 -9.149 1.00 0.00 C ATOM 976 OE1 GLN A 62 -6.573 -4.854 -9.642 1.00 0.00 O ATOM 977 NE2 GLN A 62 -8.311 -6.249 -9.343 1.00 0.00 N ATOM 0 H GLN A 62 -9.918 -2.823 -7.302 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.106 -2.634 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.539 -3.449 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.517 -4.482 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.336 -4.481 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.612 -3.192 -8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.223 -6.407 -8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.885 -6.975 -9.919 1.00 0.00 H new ATOM 986 N GLU A 63 -7.212 -0.764 -7.844 1.00 0.00 N ATOM 987 CA GLU A 63 -6.407 0.350 -8.244 1.00 0.00 C ATOM 988 C GLU A 63 -6.786 1.582 -7.431 1.00 0.00 C ATOM 989 O GLU A 63 -5.956 2.460 -7.203 1.00 0.00 O ATOM 990 CB GLU A 63 -6.604 0.616 -9.727 1.00 0.00 C ATOM 991 CG GLU A 63 -5.417 1.302 -10.386 1.00 0.00 C ATOM 992 CD GLU A 63 -5.837 2.348 -11.399 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.346 3.412 -10.979 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.667 2.108 -12.609 1.00 0.00 O ATOM 0 H GLU A 63 -7.786 -1.158 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.357 0.121 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.794 -0.329 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.491 1.235 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.801 1.771 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.797 0.553 -10.878 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.044 1.640 -7.001 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.530 2.760 -6.228 1.00 0.00 C ATOM 1003 C LYS A 64 -8.076 2.666 -4.778 1.00 0.00 C ATOM 1004 O LYS A 64 -7.360 3.537 -4.295 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.055 2.845 -6.302 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.639 4.007 -5.524 1.00 0.00 C ATOM 1007 CD LYS A 64 -10.948 5.193 -6.432 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.065 4.869 -7.411 1.00 0.00 C ATOM 1009 NZ LYS A 64 -12.678 6.100 -7.975 1.00 0.00 N ATOM 0 H LYS A 64 -8.741 0.917 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.108 3.669 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.355 2.931 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.481 1.916 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.551 3.686 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.938 4.315 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.233 6.053 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.050 5.475 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.672 4.255 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.831 4.280 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.435 5.838 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.076 6.674 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.953 6.650 -8.478 1.00 0.00 H new ATOM 1023 N GLY A 65 -8.487 1.610 -4.083 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.090 1.451 -2.700 1.00 0.00 C ATOM 1025 C GLY A 65 -6.588 1.500 -2.539 1.00 0.00 C ATOM 1026 O GLY A 65 -6.084 1.923 -1.498 1.00 0.00 O ATOM 0 H GLY A 65 -9.083 0.868 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.546 2.237 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.466 0.501 -2.321 1.00 0.00 H new ATOM 1030 N ALA A 66 -5.876 1.086 -3.574 1.00 0.00 N ATOM 1031 CA ALA A 66 -4.422 1.102 -3.537 1.00 0.00 C ATOM 1032 C ALA A 66 -3.910 2.513 -3.807 1.00 0.00 C ATOM 1033 O ALA A 66 -3.319 3.140 -2.920 1.00 0.00 O ATOM 1034 CB ALA A 66 -3.840 0.112 -4.528 1.00 0.00 C ATOM 0 H ALA A 66 -6.277 0.737 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.096 0.798 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.752 0.145 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.184 -0.893 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.166 0.371 -5.535 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.147 3.029 -5.014 1.00 0.00 N ATOM 1041 CA TYR A 67 -3.707 4.380 -5.357 1.00 0.00 C ATOM 1042 C TYR A 67 -4.126 5.355 -4.263 1.00 0.00 C ATOM 1043 O TYR A 67 -3.350 6.209 -3.841 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.261 4.824 -6.713 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.389 5.829 -7.433 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.963 6.992 -6.805 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.010 5.620 -8.755 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -2.182 7.920 -7.468 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.227 6.545 -9.424 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.815 7.691 -8.776 1.00 0.00 C ATOM 1051 OH TYR A 67 -1.041 8.608 -9.443 1.00 0.00 O ATOM 0 H TYR A 67 -4.636 2.538 -5.762 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.620 4.374 -5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.387 3.947 -7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.251 5.256 -6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.247 7.175 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.331 4.724 -9.266 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.861 8.819 -6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.940 6.370 -10.450 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.220 8.175 -9.758 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.349 5.192 -3.776 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.849 6.035 -2.699 1.00 0.00 C ATOM 1063 C ARG A 68 -4.853 5.999 -1.540 1.00 0.00 C ATOM 1064 O ARG A 68 -4.450 7.033 -0.999 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.218 5.562 -2.227 1.00 0.00 C ATOM 1066 CG ARG A 68 -7.977 6.594 -1.407 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.816 5.939 -0.328 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.207 5.759 -0.747 1.00 0.00 N ATOM 1069 CZ ARG A 68 -11.157 5.255 0.028 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.876 4.877 1.244 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -12.395 5.126 -0.429 1.00 0.00 N ATOM 0 H ARG A 68 -6.009 4.488 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.957 7.056 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.817 5.290 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.094 4.658 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.271 7.287 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.620 7.180 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.386 4.970 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.786 6.549 0.575 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.461 6.039 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.924 4.969 1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.608 4.489 1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.620 5.415 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.122 4.738 0.171 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.436 4.786 -1.188 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.466 4.618 -0.122 1.00 0.00 C ATOM 1087 C VAL A 69 -2.126 5.187 -0.551 1.00 0.00 C ATOM 1088 O VAL A 69 -1.301 5.578 0.257 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.309 3.137 0.236 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.191 2.948 1.244 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.621 2.582 0.760 1.00 0.00 C ATOM 0 H VAL A 69 -4.752 3.918 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.822 5.153 0.758 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.042 2.584 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.094 1.890 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.254 3.310 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.420 3.508 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.496 1.529 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.920 3.134 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.391 2.684 -0.005 1.00 0.00 H new ATOM 1101 N ILE A 70 -1.915 5.255 -1.864 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.683 5.794 -2.406 1.00 0.00 C ATOM 1103 C ILE A 70 -0.647 7.307 -2.233 1.00 0.00 C ATOM 1104 O ILE A 70 0.329 7.874 -1.827 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.493 5.419 -3.892 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.903 4.909 -4.110 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.757 6.601 -4.826 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.024 3.405 -4.023 1.00 0.00 C ATOM 0 H ILE A 70 -2.585 4.942 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 70 0.142 5.350 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.221 4.643 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.250 5.236 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.564 5.361 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.611 6.288 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.782 6.948 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.067 7.411 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.061 3.113 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.709 3.071 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.390 2.945 -4.781 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.760 7.955 -2.553 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.864 9.395 -2.446 1.00 0.00 C ATOM 1122 C GLU A 71 -1.839 9.836 -0.988 1.00 0.00 C ATOM 1123 O GLU A 71 -1.354 10.922 -0.672 1.00 0.00 O ATOM 1124 CB GLU A 71 -3.155 9.889 -3.098 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.405 9.320 -2.465 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.646 10.141 -2.773 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.823 11.204 -2.140 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -6.433 9.723 -3.641 1.00 0.00 O ATOM 0 H GLU A 71 -2.607 7.497 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.007 9.828 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.190 10.977 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.142 9.628 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.553 8.299 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.268 9.267 -1.385 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.367 9.000 -0.100 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.398 9.347 1.283 1.00 0.00 C ATOM 1137 C HIS A 72 -1.040 9.140 1.930 1.00 0.00 C ATOM 1138 O HIS A 72 -0.498 10.050 2.564 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.467 8.534 2.020 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.131 9.288 3.124 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.483 9.556 3.145 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.622 9.839 4.250 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.777 10.236 4.240 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.664 10.418 4.927 1.00 0.00 N ATOM 0 H HIS A 72 -2.771 8.091 -0.327 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.652 10.405 1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.224 8.210 1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.009 7.633 2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.587 9.825 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.759 10.583 4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.591 10.910 5.818 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.483 7.948 1.781 1.00 0.00 N ATOM 1154 CA LEU A 73 0.791 7.658 2.361 1.00 0.00 C ATOM 1155 C LEU A 73 1.873 8.486 1.678 1.00 0.00 C ATOM 1156 O LEU A 73 2.888 8.828 2.291 1.00 0.00 O ATOM 1157 CB LEU A 73 1.106 6.164 2.262 1.00 0.00 C ATOM 1158 CG LEU A 73 0.514 5.298 3.377 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -0.968 5.423 3.400 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.934 3.849 3.206 1.00 0.00 C ATOM 0 H LEU A 73 -0.903 7.177 1.262 1.00 0.00 H new ATOM 0 HA LEU A 73 0.763 7.923 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.740 5.795 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.189 6.036 2.261 1.00 0.00 H new ATOM 0 HG LEU A 73 0.900 5.651 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.373 4.801 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.243 6.463 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.376 5.096 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.504 3.248 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.579 3.478 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.021 3.778 3.243 1.00 0.00 H new ATOM 1172 N ILE A 74 1.646 8.829 0.405 1.00 0.00 N ATOM 1173 CA ILE A 74 2.608 9.637 -0.313 1.00 0.00 C ATOM 1174 C ILE A 74 2.920 10.914 0.430 1.00 0.00 C ATOM 1175 O ILE A 74 4.085 11.243 0.659 1.00 0.00 O ATOM 1176 CB ILE A 74 2.084 9.989 -1.734 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.864 9.209 -2.804 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.165 11.486 -2.018 1.00 0.00 C ATOM 1179 CD1 ILE A 74 1.990 8.583 -3.873 1.00 0.00 C ATOM 0 H ILE A 74 0.820 8.561 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 74 3.521 9.047 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 74 1.034 9.700 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.577 9.881 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.442 8.424 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.789 11.687 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.562 12.028 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.202 11.814 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.616 8.051 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.294 7.884 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.431 9.364 -4.389 1.00 0.00 H new ATOM 1191 N LYS A 75 1.872 11.616 0.847 1.00 0.00 N ATOM 1192 CA LYS A 75 2.047 12.837 1.611 1.00 0.00 C ATOM 1193 C LYS A 75 2.396 12.514 3.059 1.00 0.00 C ATOM 1194 O LYS A 75 3.088 13.285 3.730 1.00 0.00 O ATOM 1195 CB LYS A 75 0.782 13.702 1.519 1.00 0.00 C ATOM 1196 CG LYS A 75 -0.014 13.758 2.797 1.00 0.00 C ATOM 1197 CD LYS A 75 0.548 14.752 3.795 1.00 0.00 C ATOM 1198 CE LYS A 75 0.480 14.217 5.215 1.00 0.00 C ATOM 1199 NZ LYS A 75 -0.701 14.709 5.936 1.00 0.00 N ATOM 0 H LYS A 75 0.901 11.360 0.669 1.00 0.00 H new ATOM 0 HA LYS A 75 2.876 13.405 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.066 14.715 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.146 13.315 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.045 14.025 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.035 12.767 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.583 14.979 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.008 15.687 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.461 13.127 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.381 14.508 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.707 14.319 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.671 15.748 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.563 14.410 5.436 1.00 0.00 H new ATOM 1213 N ASN A 76 1.928 11.363 3.529 1.00 0.00 N ATOM 1214 CA ASN A 76 2.208 10.932 4.890 1.00 0.00 C ATOM 1215 C ASN A 76 3.705 10.983 5.167 1.00 0.00 C ATOM 1216 O ASN A 76 4.137 11.488 6.201 1.00 0.00 O ATOM 1217 CB ASN A 76 1.687 9.511 5.118 1.00 0.00 C ATOM 1218 CG ASN A 76 1.690 9.121 6.582 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.876 8.841 7.112 1.00 0.00 O flip ATOM 1220 ND2 ASN A 76 0.645 9.075 7.228 1.00 0.00 N flip ATOM 0 H ASN A 76 1.355 10.715 2.988 1.00 0.00 H new ATOM 0 HA ASN A 76 1.699 11.610 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.673 9.432 4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.302 8.807 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.243 9.299 6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.666 8.813 8.214 1.00 0.00 H new ATOM 1227 N GLU A 77 4.487 10.472 4.218 1.00 0.00 N ATOM 1228 CA GLU A 77 5.948 10.476 4.341 1.00 0.00 C ATOM 1229 C GLU A 77 6.602 9.624 3.261 1.00 0.00 C ATOM 1230 O GLU A 77 7.612 8.965 3.504 1.00 0.00 O ATOM 1231 CB GLU A 77 6.378 9.985 5.731 1.00 0.00 C ATOM 1232 CG GLU A 77 6.774 11.103 6.679 1.00 0.00 C ATOM 1233 CD GLU A 77 8.255 11.109 7.001 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.670 10.322 7.881 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.997 11.885 6.371 1.00 0.00 O ATOM 0 H GLU A 77 4.137 10.051 3.357 1.00 0.00 H new ATOM 0 HA GLU A 77 6.283 11.505 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.560 9.417 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.219 9.300 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.500 12.061 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.207 11.005 7.605 1.00 0.00 H new ATOM 1242 N ILE A 78 6.013 9.664 2.069 1.00 0.00 N ATOM 1243 CA ILE A 78 6.497 8.914 0.908 1.00 0.00 C ATOM 1244 C ILE A 78 7.244 7.643 1.293 1.00 0.00 C ATOM 1245 O ILE A 78 8.205 7.244 0.637 1.00 0.00 O ATOM 1246 CB ILE A 78 7.395 9.778 0.002 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.831 8.976 -1.204 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.602 10.300 0.763 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.455 9.628 -2.510 1.00 0.00 C ATOM 0 H ILE A 78 5.180 10.221 1.878 1.00 0.00 H new ATOM 0 HA ILE A 78 5.602 8.626 0.357 1.00 0.00 H new ATOM 0 HB ILE A 78 6.819 10.640 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.912 8.838 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.381 7.984 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.217 10.906 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.267 10.909 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.189 9.460 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.794 9.006 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.372 9.742 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.926 10.609 -2.576 1.00 0.00 H new ATOM 1261 N GLU A 79 6.773 6.977 2.333 1.00 0.00 N ATOM 1262 CA GLU A 79 7.376 5.735 2.751 1.00 0.00 C ATOM 1263 C GLU A 79 6.785 4.604 1.919 1.00 0.00 C ATOM 1264 O GLU A 79 7.175 3.441 2.044 1.00 0.00 O ATOM 1265 CB GLU A 79 7.156 5.489 4.241 1.00 0.00 C ATOM 1266 CG GLU A 79 5.690 5.412 4.639 1.00 0.00 C ATOM 1267 CD GLU A 79 5.503 5.169 6.123 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.300 5.703 6.921 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.550 4.450 6.491 1.00 0.00 O ATOM 0 H GLU A 79 5.979 7.278 2.898 1.00 0.00 H new ATOM 0 HA GLU A 79 8.453 5.783 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.649 4.559 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.635 6.288 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.192 6.341 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.207 4.611 4.079 1.00 0.00 H new ATOM 1276 N ILE A 80 5.832 4.974 1.070 1.00 0.00 N ATOM 1277 CA ILE A 80 5.159 4.035 0.197 1.00 0.00 C ATOM 1278 C ILE A 80 6.150 3.297 -0.656 1.00 0.00 C ATOM 1279 O ILE A 80 6.307 2.087 -0.533 1.00 0.00 O ATOM 1280 CB ILE A 80 4.143 4.762 -0.682 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.148 5.560 0.119 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.411 3.780 -1.578 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.209 6.377 -0.709 1.00 0.00 C ATOM 0 H ILE A 80 5.508 5.936 0.972 1.00 0.00 H new ATOM 0 HA ILE A 80 4.632 3.310 0.817 1.00 0.00 H new ATOM 0 HB ILE A 80 4.709 5.464 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.567 4.878 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.690 6.222 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.692 4.318 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.129 3.267 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.886 3.049 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.526 6.920 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.777 7.086 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.638 5.721 -1.366 1.00 0.00 H new ATOM 1295 N TRP A 81 6.796 4.024 -1.556 1.00 0.00 N ATOM 1296 CA TRP A 81 7.753 3.417 -2.477 1.00 0.00 C ATOM 1297 C TRP A 81 8.690 2.449 -1.760 1.00 0.00 C ATOM 1298 O TRP A 81 9.107 1.437 -2.337 1.00 0.00 O ATOM 1299 CB TRP A 81 8.577 4.492 -3.207 1.00 0.00 C ATOM 1300 CG TRP A 81 7.766 5.629 -3.750 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.223 6.862 -4.117 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.356 5.641 -3.989 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.180 7.640 -4.565 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.027 6.914 -4.497 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.339 4.708 -3.831 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.722 7.265 -4.832 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.058 5.058 -4.165 1.00 0.00 C ATOM 1308 CH2 TRP A 81 3.757 6.323 -4.663 1.00 0.00 C ATOM 0 H TRP A 81 6.678 5.031 -1.670 1.00 0.00 H new ATOM 0 HA TRP A 81 7.174 2.855 -3.210 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.324 4.890 -2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.118 4.022 -4.028 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.254 7.181 -4.064 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.257 8.602 -4.894 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.556 3.721 -3.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.486 8.248 -5.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.264 4.337 -4.039 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.735 6.561 -4.920 1.00 0.00 H new ATOM 1319 N ARG A 82 9.023 2.760 -0.515 1.00 0.00 N ATOM 1320 CA ARG A 82 9.924 1.907 0.210 1.00 0.00 C ATOM 1321 C ARG A 82 9.355 0.514 0.443 1.00 0.00 C ATOM 1322 O ARG A 82 10.087 -0.444 0.359 1.00 0.00 O ATOM 1323 CB ARG A 82 10.287 2.560 1.545 1.00 0.00 C ATOM 1324 CG ARG A 82 11.779 2.773 1.733 1.00 0.00 C ATOM 1325 CD ARG A 82 12.221 4.129 1.225 1.00 0.00 C ATOM 1326 NE ARG A 82 13.549 4.492 1.710 1.00 0.00 N ATOM 1327 CZ ARG A 82 13.796 4.916 2.949 1.00 0.00 C ATOM 1328 NH1 ARG A 82 12.808 5.035 3.828 1.00 0.00 N ATOM 1329 NH2 ARG A 82 15.035 5.226 3.302 1.00 0.00 N ATOM 0 H ARG A 82 8.688 3.577 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 82 10.818 1.783 -0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.779 3.522 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.912 1.938 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.029 2.682 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.327 1.991 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.223 4.124 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.502 4.885 1.539 1.00 0.00 H new ATOM 0 HE ARG A 82 14.334 4.417 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.853 4.801 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.004 5.360 4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.794 5.140 2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.229 5.551 4.249 1.00 0.00 H new ATOM 1343 N GLU A 83 8.067 0.425 0.721 1.00 0.00 N ATOM 1344 CA GLU A 83 7.452 -0.841 0.949 1.00 0.00 C ATOM 1345 C GLU A 83 6.823 -1.378 -0.295 1.00 0.00 C ATOM 1346 O GLU A 83 6.738 -2.593 -0.510 1.00 0.00 O ATOM 1347 CB GLU A 83 6.397 -0.739 2.053 1.00 0.00 C ATOM 1348 CG GLU A 83 6.990 -0.750 3.451 1.00 0.00 C ATOM 1349 CD GLU A 83 8.020 0.313 3.661 1.00 0.00 C ATOM 1350 OE1 GLU A 83 7.674 1.498 3.490 1.00 0.00 O ATOM 1351 OE2 GLU A 83 9.179 -0.008 3.995 1.00 0.00 O ATOM 0 H GLU A 83 7.437 1.224 0.791 1.00 0.00 H new ATOM 0 HA GLU A 83 8.237 -1.529 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.824 0.178 1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.697 -1.569 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.190 -0.621 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.439 -1.725 3.641 1.00 0.00 H new ATOM 1358 N LEU A 84 6.405 -0.455 -1.150 1.00 0.00 N ATOM 1359 CA LEU A 84 5.786 -0.813 -2.410 1.00 0.00 C ATOM 1360 C LEU A 84 6.773 -1.560 -3.278 1.00 0.00 C ATOM 1361 O LEU A 84 6.408 -2.508 -3.976 1.00 0.00 O ATOM 1362 CB LEU A 84 5.262 0.403 -3.120 1.00 0.00 C ATOM 1363 CG LEU A 84 3.857 0.848 -2.706 1.00 0.00 C ATOM 1364 CD1 LEU A 84 2.799 0.018 -3.407 1.00 0.00 C ATOM 1365 CD2 LEU A 84 3.680 0.756 -1.190 1.00 0.00 C ATOM 0 H LEU A 84 6.486 0.549 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 84 4.937 -1.466 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.952 1.229 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.261 0.205 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 84 3.736 1.889 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.809 0.353 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.900 0.136 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.926 -1.032 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.674 1.077 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.830 -0.275 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.410 1.399 -0.699 1.00 0.00 H new ATOM 1377 N THR A 85 8.034 -1.152 -3.214 1.00 0.00 N ATOM 1378 CA THR A 85 9.058 -1.828 -3.979 1.00 0.00 C ATOM 1379 C THR A 85 9.699 -2.904 -3.123 1.00 0.00 C ATOM 1380 O THR A 85 10.082 -3.953 -3.634 1.00 0.00 O ATOM 1381 CB THR A 85 10.106 -0.838 -4.489 1.00 0.00 C ATOM 1382 OG1 THR A 85 10.919 -1.429 -5.479 1.00 0.00 O ATOM 1383 CG2 THR A 85 11.025 -0.328 -3.397 1.00 0.00 C ATOM 0 H THR A 85 8.363 -0.369 -2.649 1.00 0.00 H new ATOM 0 HA THR A 85 8.599 -2.294 -4.851 1.00 0.00 H new ATOM 0 HB THR A 85 9.536 -0.001 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.600 -2.337 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.745 0.370 -3.824 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.436 0.180 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.556 -1.167 -2.947 1.00 0.00 H new ATOM 1391 N ALA A 86 9.772 -2.661 -1.815 1.00 0.00 N ATOM 1392 CA ALA A 86 10.330 -3.663 -0.913 1.00 0.00 C ATOM 1393 C ALA A 86 9.660 -4.988 -1.213 1.00 0.00 C ATOM 1394 O ALA A 86 10.291 -6.045 -1.185 1.00 0.00 O ATOM 1395 CB ALA A 86 10.118 -3.272 0.506 1.00 0.00 C ATOM 0 H ALA A 86 9.460 -1.800 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 86 11.406 -3.746 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.542 -4.034 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.607 -2.317 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.050 -3.179 0.702 1.00 0.00 H new ATOM 1401 N LYS A 87 8.372 -4.905 -1.548 1.00 0.00 N ATOM 1402 CA LYS A 87 7.607 -6.084 -1.899 1.00 0.00 C ATOM 1403 C LYS A 87 7.621 -6.293 -3.417 1.00 0.00 C ATOM 1404 O LYS A 87 7.906 -7.393 -3.897 1.00 0.00 O ATOM 1405 CB LYS A 87 6.169 -5.956 -1.400 1.00 0.00 C ATOM 1406 CG LYS A 87 5.575 -7.269 -0.906 1.00 0.00 C ATOM 1407 CD LYS A 87 6.426 -7.884 0.168 1.00 0.00 C ATOM 1408 CE LYS A 87 5.596 -8.744 1.096 1.00 0.00 C ATOM 1409 NZ LYS A 87 6.417 -9.346 2.181 1.00 0.00 N ATOM 0 H LYS A 87 7.845 -4.032 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 87 8.066 -6.949 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.138 -5.226 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.547 -5.566 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.570 -7.094 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.480 -7.964 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.211 -8.488 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.919 -7.098 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.801 -8.141 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.115 -9.537 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.810 -9.927 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.160 -9.942 1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.855 -8.590 2.745 1.00 0.00 H new ATOM 1423 N TYR A 88 7.271 -5.239 -4.167 1.00 0.00 N ATOM 1424 CA TYR A 88 7.205 -5.308 -5.640 1.00 0.00 C ATOM 1425 C TYR A 88 5.925 -6.009 -6.041 1.00 0.00 C ATOM 1426 O TYR A 88 5.683 -6.286 -7.213 1.00 0.00 O ATOM 1427 CB TYR A 88 8.400 -6.064 -6.249 1.00 0.00 C ATOM 1428 CG TYR A 88 9.762 -5.605 -5.774 1.00 0.00 C ATOM 1429 CD1 TYR A 88 10.348 -4.456 -6.284 1.00 0.00 C ATOM 1430 CD2 TYR A 88 10.470 -6.338 -4.832 1.00 0.00 C ATOM 1431 CE1 TYR A 88 11.602 -4.048 -5.868 1.00 0.00 C ATOM 1432 CE2 TYR A 88 11.722 -5.937 -4.407 1.00 0.00 C ATOM 1433 CZ TYR A 88 12.285 -4.788 -4.927 1.00 0.00 C ATOM 1434 OH TYR A 88 13.533 -4.387 -4.511 1.00 0.00 O ATOM 0 H TYR A 88 7.028 -4.327 -3.781 1.00 0.00 H new ATOM 0 HA TYR A 88 7.233 -4.287 -6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.292 -7.125 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.358 -5.964 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.816 -3.870 -7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.034 -7.238 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.045 -3.153 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.258 -6.519 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 88 13.874 -5.019 -3.844 1.00 0.00 H new ATOM 1444 N ASP A 89 5.113 -6.270 -5.042 1.00 0.00 N ATOM 1445 CA ASP A 89 3.830 -6.916 -5.244 1.00 0.00 C ATOM 1446 C ASP A 89 2.805 -5.901 -5.728 1.00 0.00 C ATOM 1447 O ASP A 89 1.897 -6.252 -6.476 1.00 0.00 O ATOM 1448 CB ASP A 89 3.351 -7.574 -3.950 1.00 0.00 C ATOM 1449 CG ASP A 89 2.163 -8.489 -4.175 1.00 0.00 C ATOM 1450 OD1 ASP A 89 2.073 -9.091 -5.265 1.00 0.00 O ATOM 1451 OD2 ASP A 89 1.325 -8.604 -3.257 1.00 0.00 O ATOM 0 H ASP A 89 5.319 -6.043 -4.069 1.00 0.00 H new ATOM 0 HA ASP A 89 3.946 -7.690 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.169 -8.146 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.080 -6.801 -3.231 1.00 0.00 H new ATOM 1456 N PRO A 90 2.930 -4.623 -5.298 1.00 0.00 N ATOM 1457 CA PRO A 90 2.009 -3.550 -5.668 1.00 0.00 C ATOM 1458 C PRO A 90 2.454 -2.747 -6.885 1.00 0.00 C ATOM 1459 O PRO A 90 1.625 -2.168 -7.585 1.00 0.00 O ATOM 1460 CB PRO A 90 2.060 -2.668 -4.433 1.00 0.00 C ATOM 1461 CG PRO A 90 3.478 -2.751 -3.985 1.00 0.00 C ATOM 1462 CD PRO A 90 3.973 -4.117 -4.379 1.00 0.00 C ATOM 0 HA PRO A 90 1.027 -3.934 -5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.775 -1.642 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.377 -3.023 -3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.079 -1.971 -4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.553 -2.607 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.945 -4.063 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.089 -4.766 -3.511 1.00 0.00 H new ATOM 1470 N THR A 91 3.764 -2.677 -7.119 1.00 0.00 N ATOM 1471 CA THR A 91 4.282 -1.905 -8.234 1.00 0.00 C ATOM 1472 C THR A 91 4.704 -2.795 -9.404 1.00 0.00 C ATOM 1473 O THR A 91 3.865 -3.273 -10.162 1.00 0.00 O ATOM 1474 CB THR A 91 5.448 -1.026 -7.767 1.00 0.00 C ATOM 1475 OG1 THR A 91 6.305 -1.747 -6.904 1.00 0.00 O ATOM 1476 CG2 THR A 91 4.999 0.194 -7.040 1.00 0.00 C ATOM 0 H THR A 91 4.475 -3.142 -6.555 1.00 0.00 H new ATOM 0 HA THR A 91 3.478 -1.266 -8.598 1.00 0.00 H new ATOM 0 HB THR A 91 5.970 -0.724 -8.675 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.928 -1.754 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.868 0.776 -6.734 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.370 0.797 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.429 -0.097 -6.158 1.00 0.00 H new ATOM 1484 N GLY A 92 6.013 -2.987 -9.576 1.00 0.00 N ATOM 1485 CA GLY A 92 6.494 -3.787 -10.688 1.00 0.00 C ATOM 1486 C GLY A 92 6.049 -3.220 -12.033 1.00 0.00 C ATOM 1487 O GLY A 92 6.267 -3.834 -13.075 1.00 0.00 O ATOM 0 H GLY A 92 6.740 -2.606 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.583 -3.835 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.127 -4.808 -10.586 1.00 0.00 H new ATOM 1491 N ASN A 93 5.414 -2.043 -11.995 1.00 0.00 N ATOM 1492 CA ASN A 93 4.908 -1.374 -13.180 1.00 0.00 C ATOM 1493 C ASN A 93 4.097 -0.170 -12.765 1.00 0.00 C ATOM 1494 O ASN A 93 4.164 0.875 -13.394 1.00 0.00 O ATOM 1495 CB ASN A 93 4.028 -2.328 -13.992 1.00 0.00 C ATOM 1496 CG ASN A 93 4.325 -2.270 -15.474 1.00 0.00 C ATOM 1497 OD1 ASN A 93 5.192 -2.984 -15.978 1.00 0.00 O ATOM 1498 ND2 ASN A 93 3.601 -1.415 -16.191 1.00 0.00 N ATOM 0 H ASN A 93 5.240 -1.531 -11.130 1.00 0.00 H new ATOM 0 HA ASN A 93 5.749 -1.058 -13.798 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.176 -3.347 -13.635 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.980 -2.081 -13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.755 -1.334 -17.196 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.892 -0.841 -15.736 1.00 0.00 H new ATOM 1505 N TRP A 94 3.328 -0.322 -11.694 1.00 0.00 N ATOM 1506 CA TRP A 94 2.498 0.725 -11.161 1.00 0.00 C ATOM 1507 C TRP A 94 3.360 1.810 -10.528 1.00 0.00 C ATOM 1508 O TRP A 94 2.932 2.954 -10.398 1.00 0.00 O ATOM 1509 CB TRP A 94 1.525 0.172 -10.126 1.00 0.00 C ATOM 1510 CG TRP A 94 0.784 -1.009 -10.597 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.093 -2.319 -10.353 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -0.380 -1.015 -11.407 1.00 0.00 C ATOM 1513 NE1 TRP A 94 0.167 -3.136 -10.961 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -0.734 -2.359 -11.613 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -1.162 -0.031 -11.977 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -1.831 -2.730 -12.365 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.260 -0.386 -12.719 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -2.591 -1.731 -12.910 1.00 0.00 C ATOM 0 H TRP A 94 3.270 -1.195 -11.170 1.00 0.00 H new ATOM 0 HA TRP A 94 1.925 1.155 -11.983 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.076 -0.090 -9.223 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.815 0.952 -9.851 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.936 -2.661 -9.771 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.159 -4.155 -10.927 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.912 1.011 -11.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.080 -3.770 -12.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.876 0.383 -13.161 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.461 -1.986 -13.497 1.00 0.00 H new ATOM 1529 N ARG A 95 4.571 1.437 -10.128 1.00 0.00 N ATOM 1530 CA ARG A 95 5.486 2.379 -9.496 1.00 0.00 C ATOM 1531 C ARG A 95 5.565 3.680 -10.280 1.00 0.00 C ATOM 1532 O ARG A 95 5.543 4.759 -9.694 1.00 0.00 O ATOM 1533 CB ARG A 95 6.879 1.750 -9.371 1.00 0.00 C ATOM 1534 CG ARG A 95 7.993 2.747 -9.087 1.00 0.00 C ATOM 1535 CD ARG A 95 9.131 2.111 -8.310 1.00 0.00 C ATOM 1536 NE ARG A 95 8.644 1.287 -7.208 1.00 0.00 N ATOM 1537 CZ ARG A 95 8.047 1.776 -6.129 1.00 0.00 C ATOM 1538 NH1 ARG A 95 7.907 3.088 -5.978 1.00 0.00 N ATOM 1539 NH2 ARG A 95 7.586 0.955 -5.200 1.00 0.00 N ATOM 0 H ARG A 95 4.940 0.492 -10.230 1.00 0.00 H new ATOM 0 HA ARG A 95 5.105 2.610 -8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.859 1.008 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.109 1.219 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.373 3.146 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.593 3.589 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.732 1.499 -8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.784 2.891 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 95 8.770 0.277 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.259 3.724 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.447 3.460 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.690 -0.053 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.127 1.330 -4.370 1.00 0.00 H new ATOM 1553 N LYS A 96 5.657 3.582 -11.599 1.00 0.00 N ATOM 1554 CA LYS A 96 5.731 4.775 -12.425 1.00 0.00 C ATOM 1555 C LYS A 96 4.430 5.563 -12.342 1.00 0.00 C ATOM 1556 O LYS A 96 4.419 6.783 -12.457 1.00 0.00 O ATOM 1557 CB LYS A 96 6.044 4.415 -13.878 1.00 0.00 C ATOM 1558 CG LYS A 96 6.212 5.623 -14.783 1.00 0.00 C ATOM 1559 CD LYS A 96 7.656 6.085 -14.838 1.00 0.00 C ATOM 1560 CE LYS A 96 7.962 6.813 -16.138 1.00 0.00 C ATOM 1561 NZ LYS A 96 9.368 7.311 -16.176 1.00 0.00 N ATOM 0 H LYS A 96 5.682 2.701 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 96 6.541 5.399 -12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.957 3.820 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.243 3.788 -14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.870 5.375 -15.788 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.583 6.437 -14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.860 6.744 -13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.318 5.225 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.791 6.142 -16.980 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.276 7.652 -16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.538 7.801 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.524 7.971 -15.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.023 6.508 -16.090 1.00 0.00 H new ATOM 1575 N LYS A 97 3.334 4.849 -12.116 1.00 0.00 N ATOM 1576 CA LYS A 97 2.034 5.477 -11.992 1.00 0.00 C ATOM 1577 C LYS A 97 1.924 6.187 -10.652 1.00 0.00 C ATOM 1578 O LYS A 97 1.531 7.357 -10.580 1.00 0.00 O ATOM 1579 CB LYS A 97 0.920 4.441 -12.156 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.397 4.863 -11.571 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.530 4.030 -12.126 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.819 4.826 -12.206 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.648 4.425 -13.376 1.00 0.00 N ATOM 0 H LYS A 97 3.325 3.834 -12.016 1.00 0.00 H new ATOM 0 HA LYS A 97 1.923 6.217 -12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.785 4.233 -13.217 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.233 3.509 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.365 4.763 -10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.575 5.916 -11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.263 3.667 -13.119 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.681 3.154 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.391 4.683 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.586 5.889 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.241 5.226 -13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.027 4.145 -14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.256 3.623 -13.112 1.00 0.00 H new ATOM 1597 N TYR A 98 2.274 5.480 -9.583 1.00 0.00 N ATOM 1598 CA TYR A 98 2.223 6.050 -8.256 1.00 0.00 C ATOM 1599 C TYR A 98 3.320 7.093 -8.076 1.00 0.00 C ATOM 1600 O TYR A 98 3.167 8.037 -7.297 1.00 0.00 O ATOM 1601 CB TYR A 98 2.371 4.963 -7.200 1.00 0.00 C ATOM 1602 CG TYR A 98 1.234 3.974 -7.137 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.073 4.376 -7.306 1.00 0.00 C ATOM 1604 CD2 TYR A 98 1.476 2.635 -6.863 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.094 3.474 -7.212 1.00 0.00 C ATOM 1606 CE2 TYR A 98 0.442 1.726 -6.774 1.00 0.00 C ATOM 1607 CZ TYR A 98 -0.828 2.153 -6.942 1.00 0.00 C ATOM 1608 OH TYR A 98 -1.860 1.251 -6.847 1.00 0.00 O ATOM 0 H TYR A 98 2.595 4.512 -9.617 1.00 0.00 H new ATOM 0 HA TYR A 98 1.253 6.533 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.296 4.418 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.474 5.438 -6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.292 5.413 -7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.492 2.299 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.114 3.800 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.646 0.685 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.745 0.551 -7.523 1.00 0.00 H new ATOM 1618 N GLU A 99 4.428 6.923 -8.798 1.00 0.00 N ATOM 1619 CA GLU A 99 5.535 7.854 -8.713 1.00 0.00 C ATOM 1620 C GLU A 99 5.283 9.056 -9.623 1.00 0.00 C ATOM 1621 O GLU A 99 5.717 10.169 -9.326 1.00 0.00 O ATOM 1622 CB GLU A 99 6.843 7.161 -9.092 1.00 0.00 C ATOM 1623 CG GLU A 99 8.002 8.111 -9.324 1.00 0.00 C ATOM 1624 CD GLU A 99 9.286 7.640 -8.677 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.859 6.638 -9.156 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.723 8.270 -7.690 1.00 0.00 O ATOM 0 H GLU A 99 4.575 6.148 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 99 5.618 8.207 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.113 6.461 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.682 6.574 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.162 8.226 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.743 9.095 -8.933 1.00 0.00 H new ATOM 1633 N ASP A 100 4.563 8.825 -10.718 1.00 0.00 N ATOM 1634 CA ASP A 100 4.239 9.895 -11.644 1.00 0.00 C ATOM 1635 C ASP A 100 3.487 10.997 -10.919 1.00 0.00 C ATOM 1636 O ASP A 100 3.721 12.183 -11.146 1.00 0.00 O ATOM 1637 CB ASP A 100 3.414 9.362 -12.798 1.00 0.00 C ATOM 1638 CG ASP A 100 4.257 9.020 -14.012 1.00 0.00 C ATOM 1639 OD1 ASP A 100 5.299 9.676 -14.212 1.00 0.00 O ATOM 1640 OD2 ASP A 100 3.876 8.096 -14.758 1.00 0.00 O ATOM 0 H ASP A 100 4.197 7.910 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 100 5.165 10.307 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.875 8.472 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.666 10.104 -13.078 1.00 0.00 H new ATOM 1645 N ARG A 101 2.594 10.594 -10.023 1.00 0.00 N ATOM 1646 CA ARG A 101 1.819 11.542 -9.242 1.00 0.00 C ATOM 1647 C ARG A 101 2.716 12.303 -8.280 1.00 0.00 C ATOM 1648 O ARG A 101 2.716 13.537 -8.258 1.00 0.00 O ATOM 1649 CB ARG A 101 0.721 10.827 -8.463 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.582 11.522 -8.574 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.347 11.497 -7.256 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.944 12.792 -6.945 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.936 12.956 -6.069 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.439 11.916 -5.422 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.427 14.167 -5.845 1.00 0.00 N ATOM 0 H ARG A 101 2.391 9.615 -9.821 1.00 0.00 H new ATOM 0 HA ARG A 101 1.359 12.249 -9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.620 9.807 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.007 10.759 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.419 12.555 -8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.182 11.050 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.129 10.740 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.672 11.206 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.583 13.617 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.068 10.981 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.198 12.050 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.046 14.972 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.186 14.294 -5.175 1.00 0.00 H new ATOM 1669 N ALA A 102 3.492 11.561 -7.500 1.00 0.00 N ATOM 1670 CA ALA A 102 4.406 12.169 -6.550 1.00 0.00 C ATOM 1671 C ALA A 102 5.383 13.102 -7.260 1.00 0.00 C ATOM 1672 O ALA A 102 6.031 13.939 -6.623 1.00 0.00 O ATOM 1673 CB ALA A 102 5.159 11.086 -5.783 1.00 0.00 C ATOM 0 H ALA A 102 3.505 10.541 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 102 3.828 12.763 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.842 11.552 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.447 10.460 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.726 10.472 -6.483 1.00 0.00 H new ATOM 1679 N LYS A 103 5.473 12.965 -8.580 1.00 0.00 N ATOM 1680 CA LYS A 103 6.359 13.807 -9.372 1.00 0.00 C ATOM 1681 C LYS A 103 5.712 15.160 -9.632 1.00 0.00 C ATOM 1682 O LYS A 103 6.359 16.200 -9.524 1.00 0.00 O ATOM 1683 CB LYS A 103 6.697 13.123 -10.699 1.00 0.00 C ATOM 1684 CG LYS A 103 7.710 13.890 -11.537 1.00 0.00 C ATOM 1685 CD LYS A 103 9.122 13.360 -11.334 1.00 0.00 C ATOM 1686 CE LYS A 103 9.998 13.631 -12.547 1.00 0.00 C ATOM 1687 NZ LYS A 103 10.261 15.080 -12.730 1.00 0.00 N ATOM 0 H LYS A 103 4.944 12.281 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 103 7.281 13.961 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.087 12.126 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.781 12.996 -11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.441 13.816 -12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.676 14.947 -11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.564 13.826 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.085 12.288 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.944 13.102 -12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.514 13.235 -13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.861 15.221 -13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.360 15.582 -12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.746 15.454 -11.889 1.00 0.00 H new ATOM 1701 N ALA A 104 4.426 15.131 -9.967 1.00 0.00 N ATOM 1702 CA ALA A 104 3.688 16.358 -10.226 1.00 0.00 C ATOM 1703 C ALA A 104 3.482 17.139 -8.937 1.00 0.00 C ATOM 1704 O ALA A 104 3.470 18.369 -8.937 1.00 0.00 O ATOM 1705 CB ALA A 104 2.348 16.037 -10.874 1.00 0.00 C ATOM 0 H ALA A 104 3.878 14.276 -10.065 1.00 0.00 H new ATOM 0 HA ALA A 104 4.269 16.976 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.804 16.963 -11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.515 15.515 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.764 15.403 -10.207 1.00 0.00 H new ATOM 1711 N ALA A 105 3.326 16.413 -7.836 1.00 0.00 N ATOM 1712 CA ALA A 105 3.130 17.034 -6.537 1.00 0.00 C ATOM 1713 C ALA A 105 4.446 17.524 -5.955 1.00 0.00 C ATOM 1714 O ALA A 105 4.522 18.617 -5.392 1.00 0.00 O ATOM 1715 CB ALA A 105 2.458 16.055 -5.579 1.00 0.00 C ATOM 0 H ALA A 105 3.332 15.393 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 105 2.481 17.899 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.317 16.533 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.489 15.759 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.087 15.173 -5.460 1.00 0.00 H new ATOM 1721 N GLY A 106 5.489 16.711 -6.093 1.00 0.00 N ATOM 1722 CA GLY A 106 6.794 17.073 -5.573 1.00 0.00 C ATOM 1723 C GLY A 106 7.345 16.004 -4.649 1.00 0.00 C ATOM 1724 O GLY A 106 8.549 15.742 -4.636 1.00 0.00 O ATOM 0 H GLY A 106 5.452 15.804 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.485 17.230 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.722 18.018 -5.034 1.00 0.00 H new ATOM 1728 N ILE A 107 6.459 15.391 -3.878 1.00 0.00 N ATOM 1729 CA ILE A 107 6.832 14.343 -2.946 1.00 0.00 C ATOM 1730 C ILE A 107 7.491 13.171 -3.674 1.00 0.00 C ATOM 1731 O ILE A 107 6.955 12.665 -4.660 1.00 0.00 O ATOM 1732 CB ILE A 107 5.595 13.839 -2.174 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.941 12.652 -1.276 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.482 13.458 -3.148 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.550 13.063 0.014 1.00 0.00 C ATOM 0 H ILE A 107 5.462 15.608 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 107 7.548 14.766 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 107 5.247 14.651 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.037 12.076 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.630 11.992 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.615 13.104 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.202 14.330 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.834 12.668 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.774 12.178 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.471 13.614 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.853 13.700 0.559 1.00 0.00 H new ATOM 1747 N VAL A 108 8.633 12.737 -3.170 1.00 0.00 N ATOM 1748 CA VAL A 108 9.355 11.607 -3.749 1.00 0.00 C ATOM 1749 C VAL A 108 10.259 10.963 -2.708 1.00 0.00 C ATOM 1750 O VAL A 108 10.765 11.636 -1.811 1.00 0.00 O ATOM 1751 CB VAL A 108 10.193 12.005 -4.972 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.718 10.762 -5.671 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.373 12.853 -5.929 1.00 0.00 C ATOM 0 H VAL A 108 9.086 13.150 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 108 8.600 10.894 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 108 11.042 12.600 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.311 11.055 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.340 10.192 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.880 10.146 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.984 13.125 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.505 12.286 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.040 13.758 -5.420 1.00 0.00 H new ATOM 1763 N ILE A 109 10.456 9.654 -2.818 1.00 0.00 N ATOM 1764 CA ILE A 109 11.296 8.921 -1.880 1.00 0.00 C ATOM 1765 C ILE A 109 12.624 9.642 -1.634 1.00 0.00 C ATOM 1766 O ILE A 109 13.450 9.765 -2.540 1.00 0.00 O ATOM 1767 CB ILE A 109 11.549 7.470 -2.362 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.870 6.573 -1.167 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.657 7.411 -3.401 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.662 6.236 -0.322 1.00 0.00 C ATOM 0 H ILE A 109 10.043 9.077 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 109 10.755 8.876 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 109 10.640 7.106 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.320 5.648 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.614 7.067 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.806 6.378 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.379 8.016 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.581 7.796 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.965 5.597 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.224 7.154 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.925 5.714 -0.932 1.00 0.00 H new ATOM 1782 N PRO A 110 12.841 10.141 -0.407 1.00 0.00 N ATOM 1783 CA PRO A 110 14.070 10.856 -0.070 1.00 0.00 C ATOM 1784 C PRO A 110 15.261 9.920 0.069 1.00 0.00 C ATOM 1785 O PRO A 110 15.858 9.831 1.143 1.00 0.00 O ATOM 1786 CB PRO A 110 13.721 11.515 1.250 1.00 0.00 C ATOM 1787 CG PRO A 110 12.689 10.630 1.853 1.00 0.00 C ATOM 1788 CD PRO A 110 11.903 10.058 0.704 1.00 0.00 C ATOM 0 HA PRO A 110 14.374 11.563 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.596 11.599 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.338 12.524 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.151 9.837 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.041 11.190 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.596 9.030 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.996 10.631 0.510 1.00 0.00 H new ATOM 1796 N GLU A 111 15.603 9.220 -0.980 1.00 0.00 N ATOM 1797 CA GLU A 111 16.725 8.294 -0.967 1.00 0.00 C ATOM 1798 C GLU A 111 18.050 9.034 -1.142 1.00 0.00 C ATOM 1799 O GLU A 111 18.767 8.817 -2.118 1.00 0.00 O ATOM 1800 CB GLU A 111 16.558 7.243 -2.067 1.00 0.00 C ATOM 1801 CG GLU A 111 15.690 6.069 -1.658 1.00 0.00 C ATOM 1802 CD GLU A 111 16.401 5.123 -0.710 1.00 0.00 C ATOM 1803 OE1 GLU A 111 17.210 5.602 0.087 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.153 3.902 -0.788 1.00 0.00 O ATOM 0 H GLU A 111 15.115 9.270 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 111 16.740 7.795 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.123 7.716 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.542 6.873 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.783 6.441 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.382 5.522 -2.549 1.00 0.00 H new ATOM 1811 N GLU A 112 18.361 9.905 -0.204 1.00 0.00 N ATOM 1812 CA GLU A 112 19.599 10.677 -0.249 1.00 0.00 C ATOM 1813 C GLU A 112 19.888 11.325 1.081 1.00 0.00 C ATOM 1814 O GLU A 112 18.942 11.873 1.695 1.00 0.00 O ATOM 1815 CB GLU A 112 19.511 11.747 -1.320 1.00 0.00 C ATOM 1816 CG GLU A 112 20.830 12.009 -2.026 1.00 0.00 C ATOM 1817 CD GLU A 112 20.655 12.784 -3.317 1.00 0.00 C ATOM 1818 OE1 GLU A 112 20.357 12.153 -4.353 1.00 0.00 O ATOM 1819 OE2 GLU A 112 20.820 14.025 -3.293 1.00 0.00 O ATOM 1820 OXT GLU A 112 21.057 11.274 1.521 1.00 0.00 O ATOM 0 H GLU A 112 17.773 10.101 0.606 1.00 0.00 H new ATOM 0 HA GLU A 112 20.410 9.988 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.766 11.450 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.160 12.674 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 112 21.491 12.564 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.319 11.058 -2.240 1.00 0.00 H new TER 1827 GLU A 112