USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 74 ASN : amide:sc= 0.0958 K(o=0.19,f=-0.55) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.0964 K(o=0.19,f=-0.55) USER MOD Set 2.1: A 24 GLN : amide:sc= 0.265 K(o=0.52,f=0) USER MOD Set 2.2: A 39 GLN : amide:sc= 0.252 K(o=0.52,f=-0.23) USER MOD Set 3.1: A 20 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0496 (180deg=-0.172) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00988 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= 0.407 (180deg=-0.131) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0471) USER MOD Single : A 21 ASN : amide:sc= 0.859 K(o=0.86,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.13) USER MOD Single : A 33 GLN : amide:sc= -0.895 K(o=-0.9,f=-0.4) USER MOD Single : A 36 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.016) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 1.18 (180deg=-0.178) USER MOD Single : A 42 SER OG : rot -112:sc= 2.24 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 154:sc= -0.464 USER MOD Single : A 53 TYR OH : rot 55:sc= 0.572 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00508 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.11) USER MOD Single : A 73 ASN : amide:sc= -0.283 X(o=-0.28,f=1.6e-05) USER MOD Single : A 78 GLN : amide:sc= 1.15 K(o=1.1,f=-0.25) USER MOD Single : A 79 ASN : amide:sc= 0.0689 K(o=0.069,f=-4.3!) USER MOD Single : A 81 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.514 -21.978 -12.496 1.00 44.00 N ATOM 2 CA MET A 1 4.264 -22.288 -13.905 1.00 24.00 C ATOM 3 C MET A 1 5.455 -21.932 -14.778 1.00 22.00 C ATOM 4 O MET A 1 5.601 -22.482 -15.870 1.00 1.00 O ATOM 5 CB MET A 1 3.000 -21.587 -14.423 1.00 43.00 C ATOM 6 CG MET A 1 1.704 -22.114 -13.833 1.00 74.00 C ATOM 7 SD MET A 1 1.402 -23.837 -14.266 1.00 64.00 S ATOM 8 CE MET A 1 -0.140 -24.122 -13.396 1.00 74.00 C ATOM 0 H1 MET A 1 3.766 -22.400 -11.910 1.00 44.00 H new ATOM 0 H2 MET A 1 5.436 -22.367 -12.213 1.00 44.00 H new ATOM 0 H3 MET A 1 4.518 -20.947 -12.363 1.00 44.00 H new ATOM 0 HA MET A 1 4.107 -23.365 -13.965 1.00 24.00 H new ATOM 0 HB2 MET A 1 3.076 -20.521 -14.208 1.00 43.00 H new ATOM 0 HB3 MET A 1 2.960 -21.691 -15.507 1.00 43.00 H new ATOM 0 HG2 MET A 1 1.735 -22.015 -12.748 1.00 74.00 H new ATOM 0 HG3 MET A 1 0.873 -21.503 -14.185 1.00 74.00 H new ATOM 0 HE1 MET A 1 -0.467 -25.149 -13.561 1.00 74.00 H new ATOM 0 HE2 MET A 1 0.008 -23.956 -12.329 1.00 74.00 H new ATOM 0 HE3 MET A 1 -0.900 -23.435 -13.768 1.00 74.00 H new ATOM 18 N GLN A 2 6.275 -20.957 -14.329 1.00 23.00 N ATOM 19 CA GLN A 2 7.516 -20.543 -15.017 1.00 54.00 C ATOM 20 C GLN A 2 7.185 -19.832 -16.363 1.00 22.00 C ATOM 21 O GLN A 2 8.052 -19.575 -17.200 1.00 72.00 O ATOM 22 CB GLN A 2 8.447 -21.769 -15.202 1.00 22.00 C ATOM 23 CG GLN A 2 9.878 -21.457 -15.602 1.00 25.00 C ATOM 24 CD GLN A 2 10.706 -22.716 -15.766 1.00 11.00 C ATOM 25 OE1 GLN A 2 10.455 -23.735 -15.119 1.00 22.00 O ATOM 26 NE2 GLN A 2 11.695 -22.669 -16.610 1.00 41.00 N ATOM 0 H GLN A 2 6.093 -20.432 -13.474 1.00 23.00 H new ATOM 0 HA GLN A 2 8.050 -19.816 -14.405 1.00 54.00 H new ATOM 0 HB2 GLN A 2 8.465 -22.332 -14.269 1.00 22.00 H new ATOM 0 HB3 GLN A 2 8.012 -22.421 -15.959 1.00 22.00 H new ATOM 0 HG2 GLN A 2 9.880 -20.897 -16.537 1.00 25.00 H new ATOM 0 HG3 GLN A 2 10.335 -20.818 -14.847 1.00 25.00 H new ATOM 0 HE21 GLN A 2 11.880 -21.812 -17.132 1.00 41.00 H new ATOM 0 HE22 GLN A 2 12.286 -23.489 -16.750 1.00 41.00 H new ATOM 35 N THR A 3 5.941 -19.453 -16.504 1.00 61.00 N ATOM 36 CA THR A 3 5.437 -18.782 -17.688 1.00 71.00 C ATOM 37 C THR A 3 4.721 -17.543 -17.284 1.00 21.00 C ATOM 38 O THR A 3 4.254 -17.442 -16.138 1.00 14.00 O ATOM 39 CB THR A 3 4.443 -19.680 -18.440 1.00 41.00 C ATOM 40 OG1 THR A 3 4.187 -20.875 -17.675 1.00 31.00 O ATOM 41 CG2 THR A 3 4.980 -20.028 -19.801 1.00 1.00 C ATOM 0 H THR A 3 5.231 -19.603 -15.788 1.00 61.00 H new ATOM 0 HA THR A 3 6.283 -18.551 -18.335 1.00 71.00 H new ATOM 0 HB THR A 3 3.505 -19.140 -18.571 1.00 41.00 H new ATOM 0 HG1 THR A 3 3.551 -21.443 -18.159 1.00 31.00 H new ATOM 0 HG21 THR A 3 4.265 -20.665 -20.322 1.00 1.00 H new ATOM 0 HG22 THR A 3 5.138 -19.115 -20.374 1.00 1.00 H new ATOM 0 HG23 THR A 3 5.927 -20.557 -19.694 1.00 1.00 H new ATOM 49 N ASP A 4 4.619 -16.602 -18.177 1.00 15.00 N ATOM 50 CA ASP A 4 3.853 -15.431 -17.856 1.00 71.00 C ATOM 51 C ASP A 4 2.408 -15.804 -18.127 1.00 41.00 C ATOM 52 O ASP A 4 2.140 -16.678 -18.960 1.00 41.00 O ATOM 53 CB ASP A 4 4.267 -14.183 -18.671 1.00 13.00 C ATOM 54 CG ASP A 4 5.743 -13.868 -18.643 1.00 64.00 C ATOM 55 OD1 ASP A 4 6.217 -13.185 -17.726 1.00 11.00 O ATOM 56 OD2 ASP A 4 6.461 -14.307 -19.549 1.00 61.00 O ATOM 0 H ASP A 4 5.041 -16.617 -19.105 1.00 15.00 H new ATOM 0 HA ASP A 4 4.022 -15.146 -16.818 1.00 71.00 H new ATOM 0 HB2 ASP A 4 3.960 -14.325 -19.707 1.00 13.00 H new ATOM 0 HB3 ASP A 4 3.719 -13.321 -18.292 1.00 13.00 H new ATOM 61 N THR A 5 1.491 -15.251 -17.432 1.00 23.00 N ATOM 62 CA THR A 5 0.114 -15.616 -17.624 1.00 34.00 C ATOM 63 C THR A 5 -0.757 -14.396 -17.501 1.00 24.00 C ATOM 64 O THR A 5 -0.530 -13.558 -16.647 1.00 34.00 O ATOM 65 CB THR A 5 -0.306 -16.750 -16.642 1.00 32.00 C ATOM 66 OG1 THR A 5 0.548 -17.888 -16.858 1.00 2.00 O ATOM 67 CG2 THR A 5 -1.758 -17.167 -16.842 1.00 34.00 C ATOM 0 H THR A 5 1.654 -14.540 -16.719 1.00 23.00 H new ATOM 0 HA THR A 5 -0.016 -16.017 -18.629 1.00 34.00 H new ATOM 0 HB THR A 5 -0.206 -16.374 -15.624 1.00 32.00 H new ATOM 0 HG1 THR A 5 0.294 -18.609 -16.244 1.00 2.00 H new ATOM 0 HG21 THR A 5 -2.009 -17.960 -16.137 1.00 34.00 H new ATOM 0 HG22 THR A 5 -2.409 -16.310 -16.671 1.00 34.00 H new ATOM 0 HG23 THR A 5 -1.895 -17.530 -17.861 1.00 34.00 H new ATOM 75 N LEU A 6 -1.720 -14.270 -18.387 1.00 5.00 N ATOM 76 CA LEU A 6 -2.562 -13.145 -18.420 1.00 51.00 C ATOM 77 C LEU A 6 -3.535 -13.065 -17.242 1.00 32.00 C ATOM 78 O LEU A 6 -3.380 -13.764 -16.256 1.00 1.00 O ATOM 79 CB LEU A 6 -3.199 -12.996 -19.809 1.00 62.00 C ATOM 80 CG LEU A 6 -2.319 -12.226 -20.800 1.00 71.00 C ATOM 81 CD1 LEU A 6 -1.073 -12.964 -21.236 1.00 3.00 C ATOM 82 CD2 LEU A 6 -3.098 -11.652 -21.964 1.00 0.00 C ATOM 0 H LEU A 6 -1.925 -14.966 -19.104 1.00 5.00 H new ATOM 0 HA LEU A 6 -1.947 -12.258 -18.268 1.00 51.00 H new ATOM 0 HB2 LEU A 6 -3.408 -13.986 -20.213 1.00 62.00 H new ATOM 0 HB3 LEU A 6 -4.156 -12.484 -19.709 1.00 62.00 H new ATOM 0 HG LEU A 6 -1.950 -11.375 -20.228 1.00 71.00 H new ATOM 0 HD11 LEU A 6 -0.510 -12.346 -21.936 1.00 3.00 H new ATOM 0 HD12 LEU A 6 -0.455 -13.180 -20.365 1.00 3.00 H new ATOM 0 HD13 LEU A 6 -1.355 -13.898 -21.722 1.00 3.00 H new ATOM 0 HD21 LEU A 6 -2.419 -11.119 -22.629 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.582 -12.460 -22.512 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.855 -10.963 -21.590 1.00 0.00 H new ATOM 94 N GLU A 7 -4.557 -12.243 -17.391 1.00 34.00 N ATOM 95 CA GLU A 7 -5.420 -11.825 -16.337 1.00 34.00 C ATOM 96 C GLU A 7 -6.208 -12.997 -15.781 1.00 55.00 C ATOM 97 O GLU A 7 -6.732 -12.963 -14.665 1.00 73.00 O ATOM 98 CB GLU A 7 -6.368 -10.808 -16.951 1.00 22.00 C ATOM 99 CG GLU A 7 -7.122 -10.025 -15.939 1.00 61.00 C ATOM 100 CD GLU A 7 -6.195 -9.464 -14.890 1.00 61.00 C ATOM 101 OE1 GLU A 7 -5.056 -9.062 -15.223 1.00 43.00 O ATOM 102 OE2 GLU A 7 -6.591 -9.438 -13.716 1.00 32.00 O ATOM 0 H GLU A 7 -4.807 -11.839 -18.294 1.00 34.00 H new ATOM 0 HA GLU A 7 -4.849 -11.403 -15.510 1.00 34.00 H new ATOM 0 HB2 GLU A 7 -5.799 -10.124 -17.580 1.00 22.00 H new ATOM 0 HB3 GLU A 7 -7.074 -11.325 -17.601 1.00 22.00 H new ATOM 0 HG2 GLU A 7 -7.658 -9.212 -16.428 1.00 61.00 H new ATOM 0 HG3 GLU A 7 -7.870 -10.661 -15.466 1.00 61.00 H new ATOM 109 N TYR A 8 -6.255 -14.030 -16.598 1.00 74.00 N ATOM 110 CA TYR A 8 -6.989 -15.245 -16.414 1.00 32.00 C ATOM 111 C TYR A 8 -8.473 -15.058 -16.144 1.00 31.00 C ATOM 112 O TYR A 8 -9.181 -16.001 -15.827 1.00 61.00 O ATOM 113 CB TYR A 8 -6.292 -16.347 -15.561 1.00 13.00 C ATOM 114 CG TYR A 8 -5.795 -15.961 -14.184 1.00 74.00 C ATOM 115 CD1 TYR A 8 -6.662 -15.853 -13.108 1.00 34.00 C ATOM 116 CD2 TYR A 8 -4.441 -15.739 -13.960 1.00 52.00 C ATOM 117 CE1 TYR A 8 -6.192 -15.534 -11.851 1.00 70.00 C ATOM 118 CE2 TYR A 8 -3.966 -15.415 -12.708 1.00 3.00 C ATOM 119 CZ TYR A 8 -4.843 -15.316 -11.658 1.00 44.00 C ATOM 120 OH TYR A 8 -4.370 -15.008 -10.402 1.00 20.00 O ATOM 0 H TYR A 8 -5.735 -14.031 -17.476 1.00 74.00 H new ATOM 0 HA TYR A 8 -6.962 -15.687 -17.410 1.00 32.00 H new ATOM 0 HB2 TYR A 8 -6.992 -17.174 -15.445 1.00 13.00 H new ATOM 0 HB3 TYR A 8 -5.443 -16.725 -16.130 1.00 13.00 H new ATOM 0 HD1 TYR A 8 -7.719 -16.021 -13.256 1.00 34.00 H new ATOM 0 HD2 TYR A 8 -3.748 -15.822 -14.784 1.00 52.00 H new ATOM 0 HE1 TYR A 8 -6.878 -15.455 -11.020 1.00 70.00 H new ATOM 0 HE2 TYR A 8 -2.911 -15.240 -12.554 1.00 3.00 H new ATOM 0 HH TYR A 8 -3.398 -14.887 -10.439 1.00 20.00 H new ATOM 130 N GLN A 9 -8.956 -13.871 -16.443 1.00 14.00 N ATOM 131 CA GLN A 9 -10.303 -13.496 -16.265 1.00 24.00 C ATOM 132 C GLN A 9 -10.670 -12.490 -17.257 1.00 72.00 C ATOM 133 O GLN A 9 -9.981 -11.491 -17.460 1.00 21.00 O ATOM 134 CB GLN A 9 -10.637 -13.004 -14.865 1.00 61.00 C ATOM 135 CG GLN A 9 -10.872 -14.120 -13.889 1.00 54.00 C ATOM 136 CD GLN A 9 -12.007 -15.040 -14.315 1.00 52.00 C ATOM 137 OE1 GLN A 9 -12.955 -14.626 -14.996 1.00 2.00 O ATOM 138 NE2 GLN A 9 -11.928 -16.279 -13.932 1.00 63.00 N ATOM 0 H GLN A 9 -8.379 -13.125 -16.832 1.00 14.00 H new ATOM 0 HA GLN A 9 -10.892 -14.403 -16.404 1.00 24.00 H new ATOM 0 HB2 GLN A 9 -9.822 -12.378 -14.502 1.00 61.00 H new ATOM 0 HB3 GLN A 9 -11.526 -12.375 -14.910 1.00 61.00 H new ATOM 0 HG2 GLN A 9 -9.957 -14.703 -13.782 1.00 54.00 H new ATOM 0 HG3 GLN A 9 -11.098 -13.699 -12.909 1.00 54.00 H new ATOM 0 HE21 GLN A 9 -11.134 -16.590 -13.372 1.00 63.00 H new ATOM 0 HE22 GLN A 9 -12.659 -16.941 -14.192 1.00 63.00 H new ATOM 147 N CYS A 10 -11.710 -12.777 -17.868 1.00 64.00 N ATOM 148 CA CYS A 10 -12.299 -11.980 -18.879 1.00 65.00 C ATOM 149 C CYS A 10 -13.769 -12.187 -18.786 1.00 72.00 C ATOM 150 O CYS A 10 -14.213 -13.164 -18.175 1.00 73.00 O ATOM 151 CB CYS A 10 -11.768 -12.392 -20.261 1.00 43.00 C ATOM 152 SG CYS A 10 -10.129 -11.748 -20.675 1.00 72.00 S ATOM 0 H CYS A 10 -12.233 -13.633 -17.682 1.00 64.00 H new ATOM 0 HA CYS A 10 -12.053 -10.927 -18.746 1.00 65.00 H new ATOM 0 HB2 CYS A 10 -11.737 -13.480 -20.312 1.00 43.00 H new ATOM 0 HB3 CYS A 10 -12.475 -12.057 -21.020 1.00 43.00 H new ATOM 157 N ASP A 11 -14.537 -11.302 -19.358 1.00 72.00 N ATOM 158 CA ASP A 11 -15.988 -11.425 -19.294 1.00 31.00 C ATOM 159 C ASP A 11 -16.470 -12.462 -20.290 1.00 63.00 C ATOM 160 O ASP A 11 -17.602 -12.924 -20.256 1.00 21.00 O ATOM 161 CB ASP A 11 -16.649 -10.081 -19.563 1.00 15.00 C ATOM 162 CG ASP A 11 -18.138 -10.141 -19.372 1.00 34.00 C ATOM 163 OD1 ASP A 11 -18.583 -10.256 -18.215 1.00 65.00 O ATOM 164 OD2 ASP A 11 -18.885 -10.070 -20.364 1.00 52.00 O ATOM 0 H ASP A 11 -14.197 -10.490 -19.873 1.00 72.00 H new ATOM 0 HA ASP A 11 -16.266 -11.749 -18.291 1.00 31.00 H new ATOM 0 HB2 ASP A 11 -16.227 -9.329 -18.896 1.00 15.00 H new ATOM 0 HB3 ASP A 11 -16.426 -9.764 -20.582 1.00 15.00 H new ATOM 169 N GLU A 12 -15.572 -12.855 -21.132 1.00 31.00 N ATOM 170 CA GLU A 12 -15.835 -13.768 -22.171 1.00 11.00 C ATOM 171 C GLU A 12 -15.621 -15.184 -21.697 1.00 54.00 C ATOM 172 O GLU A 12 -16.519 -16.019 -21.726 1.00 11.00 O ATOM 173 CB GLU A 12 -14.851 -13.477 -23.281 1.00 34.00 C ATOM 174 CG GLU A 12 -14.900 -12.058 -23.797 1.00 14.00 C ATOM 175 CD GLU A 12 -16.116 -11.798 -24.622 1.00 13.00 C ATOM 176 OE1 GLU A 12 -16.172 -12.321 -25.744 1.00 42.00 O ATOM 177 OE2 GLU A 12 -17.014 -11.060 -24.189 1.00 75.00 O ATOM 0 H GLU A 12 -14.605 -12.532 -21.106 1.00 31.00 H new ATOM 0 HA GLU A 12 -16.867 -13.665 -22.506 1.00 11.00 H new ATOM 0 HB2 GLU A 12 -13.843 -13.686 -22.922 1.00 34.00 H new ATOM 0 HB3 GLU A 12 -15.043 -14.159 -24.109 1.00 34.00 H new ATOM 0 HG2 GLU A 12 -14.880 -11.366 -22.955 1.00 14.00 H new ATOM 0 HG3 GLU A 12 -14.010 -11.859 -24.393 1.00 14.00 H new ATOM 184 N LYS A 13 -14.414 -15.428 -21.257 1.00 52.00 N ATOM 185 CA LYS A 13 -13.892 -16.739 -20.932 1.00 62.00 C ATOM 186 C LYS A 13 -12.765 -16.451 -19.974 1.00 1.00 C ATOM 187 O LYS A 13 -12.464 -15.276 -19.756 1.00 71.00 O ATOM 188 CB LYS A 13 -13.235 -17.341 -22.206 1.00 51.00 C ATOM 189 CG LYS A 13 -14.067 -17.271 -23.464 1.00 74.00 C ATOM 190 CD LYS A 13 -15.117 -18.372 -23.531 1.00 73.00 C ATOM 191 CE LYS A 13 -16.044 -18.231 -24.725 1.00 20.00 C ATOM 192 NZ LYS A 13 -16.863 -17.013 -24.667 1.00 35.00 N ATOM 0 H LYS A 13 -13.732 -14.685 -21.107 1.00 52.00 H new ATOM 0 HA LYS A 13 -14.659 -17.410 -20.546 1.00 62.00 H new ATOM 0 HB2 LYS A 13 -12.292 -16.824 -22.386 1.00 51.00 H new ATOM 0 HB3 LYS A 13 -12.993 -18.385 -22.009 1.00 51.00 H new ATOM 0 HG2 LYS A 13 -14.560 -16.300 -23.516 1.00 74.00 H new ATOM 0 HG3 LYS A 13 -13.413 -17.344 -24.333 1.00 74.00 H new ATOM 0 HD2 LYS A 13 -14.619 -19.340 -23.576 1.00 73.00 H new ATOM 0 HD3 LYS A 13 -15.708 -18.360 -22.615 1.00 73.00 H new ATOM 0 HE2 LYS A 13 -15.452 -18.222 -25.640 1.00 20.00 H new ATOM 0 HE3 LYS A 13 -16.698 -19.101 -24.777 1.00 20.00 H new ATOM 0 HZ1 LYS A 13 -17.826 -17.226 -24.995 1.00 35.00 H new ATOM 0 HZ2 LYS A 13 -16.900 -16.666 -23.687 1.00 35.00 H new ATOM 0 HZ3 LYS A 13 -16.443 -16.283 -25.277 1.00 35.00 H new ATOM 206 N PRO A 14 -12.137 -17.445 -19.369 1.00 24.00 N ATOM 207 CA PRO A 14 -10.926 -17.203 -18.614 1.00 23.00 C ATOM 208 C PRO A 14 -9.777 -16.890 -19.588 1.00 21.00 C ATOM 209 O PRO A 14 -9.692 -17.477 -20.665 1.00 3.00 O ATOM 210 CB PRO A 14 -10.673 -18.522 -17.865 1.00 42.00 C ATOM 211 CG PRO A 14 -11.947 -19.291 -18.007 1.00 12.00 C ATOM 212 CD PRO A 14 -12.553 -18.850 -19.301 1.00 34.00 C ATOM 0 HA PRO A 14 -11.003 -16.359 -17.928 1.00 23.00 H new ATOM 0 HB2 PRO A 14 -9.832 -19.066 -18.295 1.00 42.00 H new ATOM 0 HB3 PRO A 14 -10.434 -18.342 -16.817 1.00 42.00 H new ATOM 0 HG2 PRO A 14 -11.756 -20.364 -18.011 1.00 12.00 H new ATOM 0 HG3 PRO A 14 -12.619 -19.090 -17.173 1.00 12.00 H new ATOM 0 HD2 PRO A 14 -12.178 -19.428 -20.145 1.00 34.00 H new ATOM 0 HD3 PRO A 14 -13.638 -18.955 -19.300 1.00 34.00 H new ATOM 220 N LEU A 15 -8.902 -15.993 -19.212 1.00 31.00 N ATOM 221 CA LEU A 15 -7.846 -15.557 -20.100 1.00 72.00 C ATOM 222 C LEU A 15 -6.532 -16.102 -19.615 1.00 72.00 C ATOM 223 O LEU A 15 -5.618 -15.351 -19.201 1.00 55.00 O ATOM 224 CB LEU A 15 -7.784 -14.031 -20.166 1.00 32.00 C ATOM 225 CG LEU A 15 -6.759 -13.439 -21.139 1.00 53.00 C ATOM 226 CD1 LEU A 15 -7.092 -13.820 -22.568 1.00 25.00 C ATOM 227 CD2 LEU A 15 -6.669 -11.931 -20.976 1.00 54.00 C ATOM 0 H LEU A 15 -8.897 -15.547 -18.295 1.00 31.00 H new ATOM 0 HA LEU A 15 -8.054 -15.932 -21.102 1.00 72.00 H new ATOM 0 HB2 LEU A 15 -8.771 -13.659 -20.440 1.00 32.00 H new ATOM 0 HB3 LEU A 15 -7.567 -13.653 -19.167 1.00 32.00 H new ATOM 0 HG LEU A 15 -5.781 -13.857 -20.903 1.00 53.00 H new ATOM 0 HD11 LEU A 15 -6.351 -13.389 -23.242 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -7.084 -14.906 -22.666 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -8.081 -13.440 -22.825 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.935 -11.532 -21.677 1.00 54.00 H new ATOM 0 HD22 LEU A 15 -7.643 -11.485 -21.177 1.00 54.00 H new ATOM 0 HD23 LEU A 15 -6.364 -11.693 -19.957 1.00 54.00 H new ATOM 239 N THR A 16 -6.439 -17.370 -19.586 1.00 64.00 N ATOM 240 CA THR A 16 -5.262 -17.967 -19.100 1.00 3.00 C ATOM 241 C THR A 16 -4.339 -18.261 -20.271 1.00 62.00 C ATOM 242 O THR A 16 -4.577 -19.164 -21.075 1.00 45.00 O ATOM 243 CB THR A 16 -5.563 -19.235 -18.302 1.00 64.00 C ATOM 244 OG1 THR A 16 -6.789 -19.040 -17.566 1.00 3.00 O ATOM 245 CG2 THR A 16 -4.440 -19.478 -17.310 1.00 30.00 C ATOM 0 H THR A 16 -7.164 -18.018 -19.893 1.00 64.00 H new ATOM 0 HA THR A 16 -4.770 -17.276 -18.415 1.00 3.00 H new ATOM 0 HB THR A 16 -5.655 -20.084 -18.979 1.00 64.00 H new ATOM 0 HG1 THR A 16 -6.993 -19.848 -17.051 1.00 3.00 H new ATOM 0 HG21 THR A 16 -4.649 -20.382 -16.738 1.00 30.00 H new ATOM 0 HG22 THR A 16 -3.499 -19.599 -17.848 1.00 30.00 H new ATOM 0 HG23 THR A 16 -4.364 -18.628 -16.632 1.00 30.00 H new ATOM 253 N VAL A 17 -3.334 -17.459 -20.376 1.00 24.00 N ATOM 254 CA VAL A 17 -2.383 -17.524 -21.449 1.00 62.00 C ATOM 255 C VAL A 17 -1.068 -17.955 -20.887 1.00 54.00 C ATOM 256 O VAL A 17 -0.684 -17.493 -19.832 1.00 20.00 O ATOM 257 CB VAL A 17 -2.182 -16.121 -22.049 1.00 53.00 C ATOM 258 CG1 VAL A 17 -1.192 -16.140 -23.188 1.00 22.00 C ATOM 259 CG2 VAL A 17 -3.494 -15.513 -22.501 1.00 24.00 C ATOM 0 H VAL A 17 -3.140 -16.718 -19.703 1.00 24.00 H new ATOM 0 HA VAL A 17 -2.744 -18.216 -22.210 1.00 62.00 H new ATOM 0 HB VAL A 17 -1.774 -15.495 -21.255 1.00 53.00 H new ATOM 0 HG11 VAL A 17 -1.076 -15.132 -23.586 1.00 22.00 H new ATOM 0 HG12 VAL A 17 -0.229 -16.501 -22.827 1.00 22.00 H new ATOM 0 HG13 VAL A 17 -1.555 -16.801 -23.975 1.00 22.00 H new ATOM 0 HG21 VAL A 17 -3.311 -14.523 -22.919 1.00 24.00 H new ATOM 0 HG22 VAL A 17 -3.947 -16.150 -23.261 1.00 24.00 H new ATOM 0 HG23 VAL A 17 -4.169 -15.428 -21.649 1.00 24.00 H new ATOM 269 N LYS A 18 -0.382 -18.816 -21.567 1.00 51.00 N ATOM 270 CA LYS A 18 0.920 -19.191 -21.147 1.00 24.00 C ATOM 271 C LYS A 18 1.859 -18.453 -22.023 1.00 43.00 C ATOM 272 O LYS A 18 2.154 -18.891 -23.137 1.00 45.00 O ATOM 273 CB LYS A 18 1.183 -20.706 -21.254 1.00 14.00 C ATOM 274 CG LYS A 18 0.535 -21.618 -20.189 1.00 2.00 C ATOM 275 CD LYS A 18 -0.969 -21.430 -20.046 1.00 13.00 C ATOM 276 CE LYS A 18 -1.585 -22.441 -19.074 1.00 64.00 C ATOM 277 NZ LYS A 18 -0.990 -22.379 -17.716 1.00 41.00 N ATOM 0 H LYS A 18 -0.708 -19.272 -22.419 1.00 51.00 H new ATOM 0 HA LYS A 18 1.045 -18.948 -20.092 1.00 24.00 H new ATOM 0 HB2 LYS A 18 0.842 -21.038 -22.234 1.00 14.00 H new ATOM 0 HB3 LYS A 18 2.261 -20.864 -21.221 1.00 14.00 H new ATOM 0 HG2 LYS A 18 0.738 -22.658 -20.444 1.00 2.00 H new ATOM 0 HG3 LYS A 18 1.008 -21.427 -19.226 1.00 2.00 H new ATOM 0 HD2 LYS A 18 -1.176 -20.419 -19.696 1.00 13.00 H new ATOM 0 HD3 LYS A 18 -1.441 -21.532 -21.023 1.00 13.00 H new ATOM 0 HE2 LYS A 18 -2.658 -22.261 -19.003 1.00 64.00 H new ATOM 0 HE3 LYS A 18 -1.457 -23.446 -19.475 1.00 64.00 H new ATOM 0 HZ1 LYS A 18 -1.514 -23.012 -17.078 1.00 41.00 H new ATOM 0 HZ2 LYS A 18 0.005 -22.677 -17.759 1.00 41.00 H new ATOM 0 HZ3 LYS A 18 -1.044 -21.404 -17.357 1.00 41.00 H new ATOM 291 N LEU A 19 2.217 -17.289 -21.589 1.00 31.00 N ATOM 292 CA LEU A 19 3.135 -16.475 -22.295 1.00 52.00 C ATOM 293 C LEU A 19 4.492 -17.034 -22.127 1.00 31.00 C ATOM 294 O LEU A 19 5.111 -16.927 -21.059 1.00 34.00 O ATOM 295 CB LEU A 19 3.117 -15.048 -21.801 1.00 5.00 C ATOM 296 CG LEU A 19 2.378 -14.005 -22.629 1.00 52.00 C ATOM 297 CD1 LEU A 19 2.403 -12.678 -21.888 1.00 72.00 C ATOM 298 CD2 LEU A 19 3.046 -13.836 -23.986 1.00 51.00 C ATOM 0 H LEU A 19 1.872 -16.877 -20.722 1.00 31.00 H new ATOM 0 HA LEU A 19 2.846 -16.465 -23.346 1.00 52.00 H new ATOM 0 HB2 LEU A 19 2.682 -15.048 -20.802 1.00 5.00 H new ATOM 0 HB3 LEU A 19 4.151 -14.719 -21.698 1.00 5.00 H new ATOM 0 HG LEU A 19 1.350 -14.332 -22.782 1.00 52.00 H new ATOM 0 HD11 LEU A 19 1.876 -11.924 -22.473 1.00 72.00 H new ATOM 0 HD12 LEU A 19 1.915 -12.792 -20.920 1.00 72.00 H new ATOM 0 HD13 LEU A 19 3.436 -12.364 -21.738 1.00 72.00 H new ATOM 0 HD21 LEU A 19 2.507 -13.087 -24.566 1.00 51.00 H new ATOM 0 HD22 LEU A 19 4.077 -13.513 -23.846 1.00 51.00 H new ATOM 0 HD23 LEU A 19 3.033 -14.787 -24.519 1.00 51.00 H new ATOM 310 N ASN A 20 4.912 -17.707 -23.124 1.00 44.00 N ATOM 311 CA ASN A 20 6.256 -18.217 -23.157 1.00 72.00 C ATOM 312 C ASN A 20 7.134 -17.042 -23.523 1.00 62.00 C ATOM 313 O ASN A 20 7.326 -16.749 -24.703 1.00 12.00 O ATOM 314 CB ASN A 20 6.412 -19.372 -24.171 1.00 74.00 C ATOM 315 CG ASN A 20 5.575 -20.606 -23.839 1.00 42.00 C ATOM 316 OD1 ASN A 20 6.035 -21.512 -23.163 1.00 51.00 O ATOM 317 ND2 ASN A 20 4.349 -20.656 -24.331 1.00 14.00 N ATOM 0 H ASN A 20 4.350 -17.929 -23.946 1.00 44.00 H new ATOM 0 HA ASN A 20 6.535 -18.641 -22.192 1.00 72.00 H new ATOM 0 HB2 ASN A 20 6.134 -19.012 -25.162 1.00 74.00 H new ATOM 0 HB3 ASN A 20 7.462 -19.660 -24.220 1.00 74.00 H new ATOM 0 HD21 ASN A 20 3.759 -21.468 -24.149 1.00 14.00 H new ATOM 0 HD22 ASN A 20 3.993 -19.883 -24.893 1.00 14.00 H new ATOM 324 N ASN A 21 7.612 -16.364 -22.496 1.00 0.00 N ATOM 325 CA ASN A 21 8.275 -15.044 -22.574 1.00 65.00 C ATOM 326 C ASN A 21 9.274 -14.863 -23.731 1.00 73.00 C ATOM 327 O ASN A 21 9.082 -13.964 -24.553 1.00 43.00 O ATOM 328 CB ASN A 21 8.929 -14.686 -21.234 1.00 12.00 C ATOM 329 CG ASN A 21 9.264 -13.218 -21.099 1.00 21.00 C ATOM 330 OD1 ASN A 21 10.351 -12.768 -21.455 1.00 44.00 O ATOM 331 ND2 ASN A 21 8.353 -12.473 -20.534 1.00 71.00 N ATOM 0 H ASN A 21 7.555 -16.718 -21.541 1.00 0.00 H new ATOM 0 HA ASN A 21 7.468 -14.347 -22.799 1.00 65.00 H new ATOM 0 HB2 ASN A 21 8.259 -14.974 -20.424 1.00 12.00 H new ATOM 0 HB3 ASN A 21 9.841 -15.271 -21.116 1.00 12.00 H new ATOM 0 HD21 ASN A 21 8.532 -11.482 -20.375 1.00 71.00 H new ATOM 0 HD22 ASN A 21 7.462 -12.882 -20.252 1.00 71.00 H new ATOM 338 N PRO A 22 10.333 -15.706 -23.874 1.00 13.00 N ATOM 339 CA PRO A 22 11.316 -15.503 -24.928 1.00 12.00 C ATOM 340 C PRO A 22 10.819 -16.023 -26.272 1.00 15.00 C ATOM 341 O PRO A 22 11.159 -15.485 -27.322 1.00 32.00 O ATOM 342 CB PRO A 22 12.542 -16.316 -24.447 1.00 62.00 C ATOM 343 CG PRO A 22 12.185 -16.797 -23.070 1.00 34.00 C ATOM 344 CD PRO A 22 10.697 -16.875 -23.053 1.00 61.00 C ATOM 0 HA PRO A 22 11.536 -14.448 -25.089 1.00 12.00 H new ATOM 0 HB2 PRO A 22 12.745 -17.153 -25.115 1.00 62.00 H new ATOM 0 HB3 PRO A 22 13.440 -15.698 -24.427 1.00 62.00 H new ATOM 0 HG2 PRO A 22 12.632 -17.770 -22.865 1.00 34.00 H new ATOM 0 HG3 PRO A 22 12.551 -16.111 -22.307 1.00 34.00 H new ATOM 0 HD2 PRO A 22 10.330 -17.808 -23.481 1.00 61.00 H new ATOM 0 HD3 PRO A 22 10.294 -16.808 -22.042 1.00 61.00 H new ATOM 352 N ARG A 23 9.948 -17.014 -26.217 1.00 40.00 N ATOM 353 CA ARG A 23 9.466 -17.699 -27.415 1.00 13.00 C ATOM 354 C ARG A 23 8.414 -16.885 -28.120 1.00 73.00 C ATOM 355 O ARG A 23 8.254 -16.990 -29.341 1.00 12.00 O ATOM 356 CB ARG A 23 8.892 -19.070 -27.057 1.00 51.00 C ATOM 357 CG ARG A 23 9.891 -19.979 -26.396 1.00 30.00 C ATOM 358 CD ARG A 23 9.299 -21.330 -26.016 1.00 31.00 C ATOM 359 NE ARG A 23 8.750 -22.068 -27.166 1.00 72.00 N ATOM 360 CZ ARG A 23 8.752 -23.401 -27.293 1.00 14.00 C ATOM 361 NH1 ARG A 23 9.346 -24.150 -26.386 1.00 61.00 N ATOM 362 NH2 ARG A 23 8.157 -23.972 -28.331 1.00 0.00 N ATOM 0 H ARG A 23 9.553 -17.370 -25.347 1.00 40.00 H new ATOM 0 HA ARG A 23 10.317 -17.828 -28.084 1.00 13.00 H new ATOM 0 HB2 ARG A 23 8.038 -18.936 -26.393 1.00 51.00 H new ATOM 0 HB3 ARG A 23 8.520 -19.548 -27.963 1.00 51.00 H new ATOM 0 HG2 ARG A 23 10.735 -20.133 -27.068 1.00 30.00 H new ATOM 0 HG3 ARG A 23 10.281 -19.494 -25.501 1.00 30.00 H new ATOM 0 HD2 ARG A 23 10.069 -21.935 -25.539 1.00 31.00 H new ATOM 0 HD3 ARG A 23 8.510 -21.179 -25.279 1.00 31.00 H new ATOM 0 HE ARG A 23 8.337 -21.523 -27.923 1.00 72.00 H new ATOM 0 HH11 ARG A 23 9.805 -23.714 -25.586 1.00 61.00 H new ATOM 0 HH12 ARG A 23 9.347 -25.165 -26.484 1.00 61.00 H new ATOM 0 HH21 ARG A 23 7.696 -23.396 -29.035 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.160 -24.988 -28.425 1.00 0.00 H new ATOM 376 N GLN A 24 7.686 -16.089 -27.336 1.00 73.00 N ATOM 377 CA GLN A 24 6.611 -15.252 -27.817 1.00 5.00 C ATOM 378 C GLN A 24 5.500 -16.086 -28.407 1.00 74.00 C ATOM 379 O GLN A 24 4.847 -15.707 -29.373 1.00 23.00 O ATOM 380 CB GLN A 24 7.131 -14.215 -28.781 1.00 1.00 C ATOM 381 CG GLN A 24 7.911 -13.118 -28.105 1.00 40.00 C ATOM 382 CD GLN A 24 8.509 -12.162 -29.085 1.00 10.00 C ATOM 383 OE1 GLN A 24 9.652 -12.338 -29.523 1.00 20.00 O ATOM 384 NE2 GLN A 24 7.759 -11.175 -29.469 1.00 60.00 N ATOM 0 H GLN A 24 7.838 -16.014 -26.330 1.00 73.00 H new ATOM 0 HA GLN A 24 6.183 -14.713 -26.972 1.00 5.00 H new ATOM 0 HB2 GLN A 24 7.767 -14.702 -29.521 1.00 1.00 H new ATOM 0 HB3 GLN A 24 6.292 -13.776 -29.321 1.00 1.00 H new ATOM 0 HG2 GLN A 24 7.255 -12.575 -27.425 1.00 40.00 H new ATOM 0 HG3 GLN A 24 8.704 -13.558 -27.500 1.00 40.00 H new ATOM 0 HE21 GLN A 24 6.821 -11.066 -29.082 1.00 60.00 H new ATOM 0 HE22 GLN A 24 8.107 -10.508 -30.158 1.00 60.00 H new ATOM 393 N GLU A 25 5.300 -17.233 -27.828 1.00 32.00 N ATOM 394 CA GLU A 25 4.192 -18.036 -28.201 1.00 75.00 C ATOM 395 C GLU A 25 3.363 -18.262 -26.960 1.00 40.00 C ATOM 396 O GLU A 25 3.892 -18.277 -25.834 1.00 71.00 O ATOM 397 CB GLU A 25 4.641 -19.336 -28.853 1.00 40.00 C ATOM 398 CG GLU A 25 5.220 -20.338 -27.912 1.00 10.00 C ATOM 399 CD GLU A 25 5.986 -21.394 -28.629 1.00 11.00 C ATOM 400 OE1 GLU A 25 7.104 -21.100 -29.106 1.00 50.00 O ATOM 401 OE2 GLU A 25 5.508 -22.538 -28.726 1.00 70.00 O ATOM 0 H GLU A 25 5.893 -17.626 -27.097 1.00 32.00 H new ATOM 0 HA GLU A 25 3.587 -17.533 -28.955 1.00 75.00 H new ATOM 0 HB2 GLU A 25 3.788 -19.785 -29.361 1.00 40.00 H new ATOM 0 HB3 GLU A 25 5.382 -19.106 -29.618 1.00 40.00 H new ATOM 0 HG2 GLU A 25 5.875 -19.833 -27.202 1.00 10.00 H new ATOM 0 HG3 GLU A 25 4.419 -20.799 -27.335 1.00 10.00 H new ATOM 408 N VAL A 26 2.114 -18.400 -27.137 1.00 2.00 N ATOM 409 CA VAL A 26 1.196 -18.511 -26.039 1.00 3.00 C ATOM 410 C VAL A 26 0.458 -19.801 -26.084 1.00 63.00 C ATOM 411 O VAL A 26 0.040 -20.245 -27.145 1.00 32.00 O ATOM 412 CB VAL A 26 0.183 -17.334 -26.042 1.00 32.00 C ATOM 413 CG1 VAL A 26 0.898 -16.013 -25.866 1.00 32.00 C ATOM 414 CG2 VAL A 26 -0.673 -17.298 -27.303 1.00 1.00 C ATOM 0 H VAL A 26 1.674 -18.442 -28.056 1.00 2.00 H new ATOM 0 HA VAL A 26 1.782 -18.474 -25.121 1.00 3.00 H new ATOM 0 HB VAL A 26 -0.488 -17.500 -25.199 1.00 32.00 H new ATOM 0 HG11 VAL A 26 0.170 -15.202 -25.871 1.00 32.00 H new ATOM 0 HG12 VAL A 26 1.435 -16.013 -24.917 1.00 32.00 H new ATOM 0 HG13 VAL A 26 1.606 -15.871 -26.683 1.00 32.00 H new ATOM 0 HG21 VAL A 26 -1.363 -16.455 -27.251 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -0.030 -17.187 -28.176 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -1.239 -18.226 -27.385 1.00 1.00 H new ATOM 424 N SER A 27 0.355 -20.439 -24.970 1.00 24.00 N ATOM 425 CA SER A 27 -0.508 -21.547 -24.886 1.00 32.00 C ATOM 426 C SER A 27 -1.770 -20.972 -24.328 1.00 30.00 C ATOM 427 O SER A 27 -1.788 -20.468 -23.205 1.00 4.00 O ATOM 428 CB SER A 27 0.050 -22.615 -23.979 1.00 25.00 C ATOM 429 OG SER A 27 1.454 -22.790 -24.203 1.00 71.00 O ATOM 0 H SER A 27 0.858 -20.208 -24.113 1.00 24.00 H new ATOM 0 HA SER A 27 -0.654 -22.036 -25.849 1.00 32.00 H new ATOM 0 HB2 SER A 27 -0.126 -22.343 -22.938 1.00 25.00 H new ATOM 0 HB3 SER A 27 -0.471 -23.556 -24.155 1.00 25.00 H new ATOM 0 HG SER A 27 1.797 -23.486 -23.604 1.00 71.00 H new ATOM 435 N PHE A 28 -2.771 -20.972 -25.092 1.00 14.00 N ATOM 436 CA PHE A 28 -3.947 -20.312 -24.731 1.00 63.00 C ATOM 437 C PHE A 28 -5.110 -21.257 -24.687 1.00 63.00 C ATOM 438 O PHE A 28 -5.122 -22.312 -25.320 1.00 65.00 O ATOM 439 CB PHE A 28 -4.180 -19.064 -25.607 1.00 45.00 C ATOM 440 CG PHE A 28 -5.397 -18.270 -25.244 1.00 73.00 C ATOM 441 CD1 PHE A 28 -5.544 -17.782 -23.972 1.00 43.00 C ATOM 442 CD2 PHE A 28 -6.392 -18.032 -26.164 1.00 4.00 C ATOM 443 CE1 PHE A 28 -6.651 -17.077 -23.614 1.00 71.00 C ATOM 444 CE2 PHE A 28 -7.511 -17.320 -25.817 1.00 33.00 C ATOM 445 CZ PHE A 28 -7.641 -16.842 -24.533 1.00 13.00 C ATOM 0 H PHE A 28 -2.802 -21.436 -26.000 1.00 14.00 H new ATOM 0 HA PHE A 28 -3.839 -19.937 -23.713 1.00 63.00 H new ATOM 0 HB2 PHE A 28 -3.305 -18.417 -25.536 1.00 45.00 H new ATOM 0 HB3 PHE A 28 -4.262 -19.376 -26.648 1.00 45.00 H new ATOM 0 HD1 PHE A 28 -4.768 -17.960 -23.242 1.00 43.00 H new ATOM 0 HD2 PHE A 28 -6.290 -18.410 -27.170 1.00 4.00 H new ATOM 0 HE1 PHE A 28 -6.750 -16.702 -22.606 1.00 71.00 H new ATOM 0 HE2 PHE A 28 -8.286 -17.135 -26.547 1.00 33.00 H new ATOM 0 HZ PHE A 28 -8.521 -16.283 -24.250 1.00 13.00 H new ATOM 455 N VAL A 29 -6.041 -20.859 -23.937 1.00 14.00 N ATOM 456 CA VAL A 29 -7.152 -21.588 -23.577 1.00 73.00 C ATOM 457 C VAL A 29 -8.317 -21.396 -24.550 1.00 42.00 C ATOM 458 O VAL A 29 -8.843 -20.309 -24.750 1.00 1.00 O ATOM 459 CB VAL A 29 -7.521 -21.230 -22.107 1.00 11.00 C ATOM 460 CG1 VAL A 29 -7.898 -19.753 -21.925 1.00 34.00 C ATOM 461 CG2 VAL A 29 -8.545 -22.179 -21.528 1.00 51.00 C ATOM 0 H VAL A 29 -6.037 -19.926 -23.525 1.00 14.00 H new ATOM 0 HA VAL A 29 -6.922 -22.652 -23.633 1.00 73.00 H new ATOM 0 HB VAL A 29 -6.612 -21.368 -21.521 1.00 11.00 H new ATOM 0 HG11 VAL A 29 -8.145 -19.567 -20.880 1.00 34.00 H new ATOM 0 HG12 VAL A 29 -7.057 -19.124 -22.217 1.00 34.00 H new ATOM 0 HG13 VAL A 29 -8.760 -19.518 -22.549 1.00 34.00 H new ATOM 0 HG21 VAL A 29 -8.770 -21.889 -20.502 1.00 51.00 H new ATOM 0 HG22 VAL A 29 -9.456 -22.139 -22.125 1.00 51.00 H new ATOM 0 HG23 VAL A 29 -8.148 -23.194 -21.539 1.00 51.00 H new ATOM 471 N TYR A 30 -8.666 -22.470 -25.151 1.00 42.00 N ATOM 472 CA TYR A 30 -9.833 -22.574 -26.035 1.00 2.00 C ATOM 473 C TYR A 30 -10.973 -23.161 -25.195 1.00 54.00 C ATOM 474 O TYR A 30 -11.785 -23.957 -25.662 1.00 22.00 O ATOM 475 CB TYR A 30 -9.485 -23.494 -27.230 1.00 33.00 C ATOM 476 CG TYR A 30 -10.565 -23.640 -28.308 1.00 44.00 C ATOM 477 CD1 TYR A 30 -11.287 -22.543 -28.770 1.00 24.00 C ATOM 478 CD2 TYR A 30 -10.835 -24.878 -28.873 1.00 63.00 C ATOM 479 CE1 TYR A 30 -12.243 -22.681 -29.756 1.00 34.00 C ATOM 480 CE2 TYR A 30 -11.793 -25.025 -29.856 1.00 24.00 C ATOM 481 CZ TYR A 30 -12.491 -23.923 -30.295 1.00 54.00 C ATOM 482 OH TYR A 30 -13.444 -24.060 -31.284 1.00 52.00 O ATOM 0 H TYR A 30 -8.151 -23.346 -25.058 1.00 42.00 H new ATOM 0 HA TYR A 30 -10.128 -21.606 -26.439 1.00 2.00 H new ATOM 0 HB2 TYR A 30 -8.579 -23.115 -27.702 1.00 33.00 H new ATOM 0 HB3 TYR A 30 -9.251 -24.486 -26.842 1.00 33.00 H new ATOM 0 HD1 TYR A 30 -11.096 -21.567 -28.349 1.00 24.00 H new ATOM 0 HD2 TYR A 30 -10.285 -25.744 -28.537 1.00 63.00 H new ATOM 0 HE1 TYR A 30 -12.794 -21.819 -30.103 1.00 34.00 H new ATOM 0 HE2 TYR A 30 -11.994 -25.999 -30.278 1.00 24.00 H new ATOM 0 HH TYR A 30 -13.498 -24.999 -31.559 1.00 52.00 H new ATOM 492 N ASP A 31 -11.017 -22.704 -23.947 1.00 53.00 N ATOM 493 CA ASP A 31 -11.971 -23.145 -22.923 1.00 22.00 C ATOM 494 C ASP A 31 -11.682 -24.572 -22.456 1.00 64.00 C ATOM 495 O ASP A 31 -11.916 -25.542 -23.173 1.00 54.00 O ATOM 496 CB ASP A 31 -13.439 -22.964 -23.363 1.00 62.00 C ATOM 497 CG ASP A 31 -14.427 -23.428 -22.321 1.00 32.00 C ATOM 498 OD1 ASP A 31 -14.545 -22.782 -21.269 1.00 41.00 O ATOM 499 OD2 ASP A 31 -15.143 -24.421 -22.558 1.00 42.00 O ATOM 0 H ASP A 31 -10.370 -21.993 -23.605 1.00 53.00 H new ATOM 0 HA ASP A 31 -11.829 -22.491 -22.063 1.00 22.00 H new ATOM 0 HB2 ASP A 31 -13.619 -21.912 -23.584 1.00 62.00 H new ATOM 0 HB3 ASP A 31 -13.607 -23.517 -24.287 1.00 62.00 H new ATOM 504 N ASN A 32 -11.073 -24.664 -21.270 1.00 4.00 N ATOM 505 CA ASN A 32 -10.734 -25.943 -20.577 1.00 14.00 C ATOM 506 C ASN A 32 -9.576 -26.713 -21.254 1.00 23.00 C ATOM 507 O ASN A 32 -9.138 -27.751 -20.772 1.00 13.00 O ATOM 508 CB ASN A 32 -12.002 -26.844 -20.375 1.00 4.00 C ATOM 509 CG ASN A 32 -11.784 -28.069 -19.462 1.00 51.00 C ATOM 510 OD1 ASN A 32 -11.927 -27.976 -18.242 1.00 21.00 O ATOM 511 ND2 ASN A 32 -11.475 -29.216 -20.030 1.00 41.00 N ATOM 0 H ASN A 32 -10.789 -23.840 -20.740 1.00 4.00 H new ATOM 0 HA ASN A 32 -10.367 -25.667 -19.588 1.00 14.00 H new ATOM 0 HB2 ASN A 32 -12.802 -26.233 -19.956 1.00 4.00 H new ATOM 0 HB3 ASN A 32 -12.343 -27.191 -21.350 1.00 4.00 H new ATOM 0 HD21 ASN A 32 -11.349 -30.051 -19.458 1.00 41.00 H new ATOM 0 HD22 ASN A 32 -11.362 -29.270 -21.042 1.00 41.00 H new ATOM 518 N GLN A 33 -9.026 -26.172 -22.307 1.00 42.00 N ATOM 519 CA GLN A 33 -7.991 -26.837 -23.020 1.00 35.00 C ATOM 520 C GLN A 33 -7.073 -25.801 -23.521 1.00 23.00 C ATOM 521 O GLN A 33 -7.474 -24.640 -23.686 1.00 33.00 O ATOM 522 CB GLN A 33 -8.545 -27.677 -24.161 1.00 4.00 C ATOM 523 CG GLN A 33 -9.260 -26.868 -25.206 1.00 13.00 C ATOM 524 CD GLN A 33 -9.822 -27.704 -26.331 1.00 53.00 C ATOM 525 OE1 GLN A 33 -10.848 -27.371 -26.910 1.00 22.00 O ATOM 526 NE2 GLN A 33 -9.156 -28.775 -26.667 1.00 12.00 N ATOM 0 H GLN A 33 -9.287 -25.262 -22.687 1.00 42.00 H new ATOM 0 HA GLN A 33 -7.467 -27.530 -22.361 1.00 35.00 H new ATOM 0 HB2 GLN A 33 -7.727 -28.222 -24.631 1.00 4.00 H new ATOM 0 HB3 GLN A 33 -9.231 -28.420 -23.755 1.00 4.00 H new ATOM 0 HG2 GLN A 33 -10.072 -26.315 -24.734 1.00 13.00 H new ATOM 0 HG3 GLN A 33 -8.571 -26.132 -25.620 1.00 13.00 H new ATOM 0 HE21 GLN A 33 -8.304 -29.025 -26.164 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -9.487 -29.362 -27.432 1.00 12.00 H new ATOM 535 N LEU A 34 -5.881 -26.172 -23.749 1.00 51.00 N ATOM 536 CA LEU A 34 -4.894 -25.230 -24.104 1.00 13.00 C ATOM 537 C LEU A 34 -4.225 -25.641 -25.413 1.00 24.00 C ATOM 538 O LEU A 34 -3.881 -26.817 -25.599 1.00 61.00 O ATOM 539 CB LEU A 34 -3.794 -25.112 -23.004 1.00 75.00 C ATOM 540 CG LEU A 34 -4.152 -24.562 -21.586 1.00 21.00 C ATOM 541 CD1 LEU A 34 -4.755 -23.195 -21.636 1.00 63.00 C ATOM 542 CD2 LEU A 34 -5.013 -25.522 -20.772 1.00 72.00 C ATOM 0 H LEU A 34 -5.556 -27.137 -23.696 1.00 51.00 H new ATOM 0 HA LEU A 34 -5.390 -24.266 -24.215 1.00 13.00 H new ATOM 0 HB2 LEU A 34 -3.368 -26.106 -22.866 1.00 75.00 H new ATOM 0 HB3 LEU A 34 -3.003 -24.479 -23.405 1.00 75.00 H new ATOM 0 HG LEU A 34 -3.200 -24.476 -21.062 1.00 21.00 H new ATOM 0 HD11 LEU A 34 -4.984 -22.861 -20.624 1.00 63.00 H new ATOM 0 HD12 LEU A 34 -4.049 -22.503 -22.095 1.00 63.00 H new ATOM 0 HD13 LEU A 34 -5.672 -23.223 -22.225 1.00 63.00 H new ATOM 0 HD21 LEU A 34 -5.227 -25.082 -19.798 1.00 72.00 H new ATOM 0 HD22 LEU A 34 -5.949 -25.708 -21.299 1.00 72.00 H new ATOM 0 HD23 LEU A 34 -4.480 -26.463 -20.636 1.00 72.00 H new ATOM 554 N LEU A 35 -4.079 -24.709 -26.311 1.00 14.00 N ATOM 555 CA LEU A 35 -3.290 -24.917 -27.516 1.00 51.00 C ATOM 556 C LEU A 35 -2.343 -23.767 -27.696 1.00 64.00 C ATOM 557 O LEU A 35 -2.470 -22.767 -27.020 1.00 3.00 O ATOM 558 CB LEU A 35 -4.114 -25.259 -28.805 1.00 73.00 C ATOM 559 CG LEU A 35 -5.135 -24.258 -29.413 1.00 74.00 C ATOM 560 CD1 LEU A 35 -6.247 -23.903 -28.462 1.00 50.00 C ATOM 561 CD2 LEU A 35 -4.487 -23.011 -30.005 1.00 32.00 C ATOM 0 H LEU A 35 -4.498 -23.782 -26.239 1.00 14.00 H new ATOM 0 HA LEU A 35 -2.713 -25.830 -27.365 1.00 51.00 H new ATOM 0 HB2 LEU A 35 -3.392 -25.489 -29.589 1.00 73.00 H new ATOM 0 HB3 LEU A 35 -4.660 -26.179 -28.595 1.00 73.00 H new ATOM 0 HG LEU A 35 -5.586 -24.796 -30.247 1.00 74.00 H new ATOM 0 HD11 LEU A 35 -6.928 -23.201 -28.944 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -6.792 -24.806 -28.186 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -5.827 -23.445 -27.566 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -5.259 -22.358 -30.411 1.00 32.00 H new ATOM 0 HD22 LEU A 35 -3.937 -22.482 -29.227 1.00 32.00 H new ATOM 0 HD23 LEU A 35 -3.801 -23.300 -30.801 1.00 32.00 H new ATOM 573 N HIS A 36 -1.431 -23.882 -28.591 1.00 2.00 N ATOM 574 CA HIS A 36 -0.400 -22.888 -28.711 1.00 12.00 C ATOM 575 C HIS A 36 -0.544 -22.057 -29.959 1.00 73.00 C ATOM 576 O HIS A 36 -0.920 -22.550 -31.028 1.00 72.00 O ATOM 577 CB HIS A 36 1.023 -23.490 -28.574 1.00 1.00 C ATOM 578 CG HIS A 36 1.418 -24.486 -29.642 1.00 32.00 C ATOM 579 ND1 HIS A 36 2.470 -24.245 -30.503 1.00 14.00 N ATOM 580 CD2 HIS A 36 0.891 -25.697 -29.924 1.00 11.00 C ATOM 581 CE1 HIS A 36 2.546 -25.314 -31.282 1.00 40.00 C ATOM 582 NE2 HIS A 36 1.612 -26.212 -30.964 1.00 51.00 N ATOM 0 H HIS A 36 -1.368 -24.652 -29.257 1.00 2.00 H new ATOM 0 HA HIS A 36 -0.534 -22.210 -27.868 1.00 12.00 H new ATOM 0 HB2 HIS A 36 1.745 -22.674 -28.579 1.00 1.00 H new ATOM 0 HB3 HIS A 36 1.100 -23.977 -27.602 1.00 1.00 H new ATOM 0 HD2 HIS A 36 0.058 -26.168 -29.423 1.00 11.00 H new ATOM 0 HE1 HIS A 36 3.271 -25.442 -32.073 1.00 40.00 H new ATOM 0 HE2 HIS A 36 1.464 -27.115 -31.414 1.00 51.00 H new ATOM 590 N LEU A 37 -0.263 -20.807 -29.798 1.00 0.00 N ATOM 591 CA LEU A 37 -0.311 -19.832 -30.856 1.00 74.00 C ATOM 592 C LEU A 37 0.950 -19.096 -30.807 1.00 64.00 C ATOM 593 O LEU A 37 1.546 -18.960 -29.750 1.00 44.00 O ATOM 594 CB LEU A 37 -1.452 -18.817 -30.720 1.00 32.00 C ATOM 595 CG LEU A 37 -2.864 -19.395 -30.574 1.00 65.00 C ATOM 596 CD1 LEU A 37 -3.209 -19.694 -29.122 1.00 41.00 C ATOM 597 CD2 LEU A 37 -3.896 -18.513 -31.223 1.00 60.00 C ATOM 0 H LEU A 37 0.017 -20.415 -28.899 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.477 -20.365 -31.792 1.00 74.00 H new ATOM 0 HB2 LEU A 37 -1.249 -18.189 -29.853 1.00 32.00 H new ATOM 0 HB3 LEU A 37 -1.438 -18.167 -31.595 1.00 32.00 H new ATOM 0 HG LEU A 37 -2.875 -20.347 -31.105 1.00 65.00 H new ATOM 0 HD11 LEU A 37 -4.218 -20.102 -29.064 1.00 41.00 H new ATOM 0 HD12 LEU A 37 -2.501 -20.420 -28.722 1.00 41.00 H new ATOM 0 HD13 LEU A 37 -3.155 -18.775 -28.539 1.00 41.00 H new ATOM 0 HD21 LEU A 37 -4.884 -18.956 -31.098 1.00 60.00 H new ATOM 0 HD22 LEU A 37 -3.879 -17.528 -30.756 1.00 60.00 H new ATOM 0 HD23 LEU A 37 -3.674 -18.415 -32.286 1.00 60.00 H new ATOM 609 N LYS A 38 1.342 -18.603 -31.895 1.00 4.00 N ATOM 610 CA LYS A 38 2.586 -17.955 -32.001 1.00 75.00 C ATOM 611 C LYS A 38 2.436 -16.602 -32.561 1.00 44.00 C ATOM 612 O LYS A 38 1.500 -16.340 -33.301 1.00 2.00 O ATOM 613 CB LYS A 38 3.479 -18.773 -32.839 1.00 74.00 C ATOM 614 CG LYS A 38 2.797 -19.335 -34.054 1.00 10.00 C ATOM 615 CD LYS A 38 3.776 -20.005 -34.930 1.00 1.00 C ATOM 616 CE LYS A 38 3.068 -20.946 -35.909 1.00 34.00 C ATOM 617 NZ LYS A 38 2.113 -20.256 -36.810 1.00 53.00 N ATOM 0 H LYS A 38 0.805 -18.633 -32.762 1.00 4.00 H new ATOM 0 HA LYS A 38 3.018 -17.845 -31.006 1.00 75.00 H new ATOM 0 HB2 LYS A 38 4.328 -18.166 -33.154 1.00 74.00 H new ATOM 0 HB3 LYS A 38 3.878 -19.593 -32.242 1.00 74.00 H new ATOM 0 HG2 LYS A 38 2.026 -20.044 -33.751 1.00 10.00 H new ATOM 0 HG3 LYS A 38 2.298 -18.535 -34.601 1.00 10.00 H new ATOM 0 HD2 LYS A 38 4.348 -19.259 -35.483 1.00 1.00 H new ATOM 0 HD3 LYS A 38 4.487 -20.568 -34.326 1.00 1.00 H new ATOM 0 HE2 LYS A 38 3.817 -21.460 -36.512 1.00 34.00 H new ATOM 0 HE3 LYS A 38 2.534 -21.710 -35.344 1.00 34.00 H new ATOM 0 HZ1 LYS A 38 1.169 -20.678 -36.704 1.00 53.00 H new ATOM 0 HZ2 LYS A 38 2.071 -19.247 -36.564 1.00 53.00 H new ATOM 0 HZ3 LYS A 38 2.429 -20.359 -37.795 1.00 53.00 H new ATOM 631 N GLN A 39 3.359 -15.778 -32.232 1.00 23.00 N ATOM 632 CA GLN A 39 3.318 -14.392 -32.597 1.00 41.00 C ATOM 633 C GLN A 39 3.947 -14.140 -33.938 1.00 73.00 C ATOM 634 O GLN A 39 5.128 -14.423 -34.166 1.00 23.00 O ATOM 635 CB GLN A 39 3.972 -13.492 -31.555 1.00 73.00 C ATOM 636 CG GLN A 39 3.817 -12.006 -31.867 1.00 13.00 C ATOM 637 CD GLN A 39 4.609 -11.100 -30.951 1.00 33.00 C ATOM 638 OE1 GLN A 39 4.858 -11.412 -29.798 1.00 3.00 O ATOM 639 NE2 GLN A 39 5.002 -9.963 -31.465 1.00 23.00 N ATOM 0 H GLN A 39 4.183 -16.041 -31.692 1.00 23.00 H new ATOM 0 HA GLN A 39 2.259 -14.140 -32.652 1.00 41.00 H new ATOM 0 HB2 GLN A 39 3.535 -13.700 -30.578 1.00 73.00 H new ATOM 0 HB3 GLN A 39 5.033 -13.735 -31.488 1.00 73.00 H new ATOM 0 HG2 GLN A 39 4.128 -11.827 -32.896 1.00 13.00 H new ATOM 0 HG3 GLN A 39 2.762 -11.739 -31.802 1.00 13.00 H new ATOM 0 HE21 GLN A 39 4.775 -9.736 -32.433 1.00 23.00 H new ATOM 0 HE22 GLN A 39 5.535 -9.304 -30.898 1.00 23.00 H new ATOM 648 N GLY A 40 3.136 -13.652 -34.797 1.00 64.00 N ATOM 649 CA GLY A 40 3.533 -13.175 -36.076 1.00 72.00 C ATOM 650 C GLY A 40 3.311 -11.679 -36.110 1.00 42.00 C ATOM 651 O GLY A 40 2.928 -11.081 -35.077 1.00 50.00 O ATOM 0 H GLY A 40 2.134 -13.568 -34.626 1.00 64.00 H new ATOM 0 HA2 GLY A 40 4.582 -13.408 -36.260 1.00 72.00 H new ATOM 0 HA3 GLY A 40 2.955 -13.663 -36.861 1.00 72.00 H new ATOM 655 N ILE A 41 3.497 -11.067 -37.246 1.00 14.00 N ATOM 656 CA ILE A 41 3.355 -9.629 -37.359 1.00 23.00 C ATOM 657 C ILE A 41 1.879 -9.241 -37.406 1.00 63.00 C ATOM 658 O ILE A 41 1.165 -9.564 -38.355 1.00 32.00 O ATOM 659 CB ILE A 41 4.101 -9.077 -38.602 1.00 61.00 C ATOM 660 CG1 ILE A 41 5.603 -9.439 -38.550 1.00 24.00 C ATOM 661 CG2 ILE A 41 3.911 -7.568 -38.739 1.00 32.00 C ATOM 662 CD1 ILE A 41 6.336 -8.957 -37.306 1.00 5.00 C ATOM 0 H ILE A 41 3.749 -11.538 -38.115 1.00 14.00 H new ATOM 0 HA ILE A 41 3.809 -9.181 -36.475 1.00 23.00 H new ATOM 0 HB ILE A 41 3.667 -9.548 -39.484 1.00 61.00 H new ATOM 0 HG12 ILE A 41 5.703 -10.522 -38.616 1.00 24.00 H new ATOM 0 HG13 ILE A 41 6.093 -9.019 -39.428 1.00 24.00 H new ATOM 0 HG21 ILE A 41 4.446 -7.212 -39.619 1.00 32.00 H new ATOM 0 HG22 ILE A 41 2.850 -7.343 -38.844 1.00 32.00 H new ATOM 0 HG23 ILE A 41 4.301 -7.070 -37.851 1.00 32.00 H new ATOM 0 HD11 ILE A 41 7.382 -9.258 -37.360 1.00 5.00 H new ATOM 0 HD12 ILE A 41 6.274 -7.870 -37.245 1.00 5.00 H new ATOM 0 HD13 ILE A 41 5.878 -9.397 -36.420 1.00 5.00 H new ATOM 674 N SER A 42 1.431 -8.576 -36.368 1.00 50.00 N ATOM 675 CA SER A 42 0.053 -8.139 -36.248 1.00 11.00 C ATOM 676 C SER A 42 -0.093 -6.754 -36.837 1.00 30.00 C ATOM 677 O SER A 42 -1.213 -6.268 -37.053 1.00 64.00 O ATOM 678 CB SER A 42 -0.303 -8.056 -34.762 1.00 54.00 C ATOM 679 OG SER A 42 -1.693 -7.908 -34.556 1.00 1.00 O ATOM 0 H SER A 42 2.016 -8.318 -35.573 1.00 50.00 H new ATOM 0 HA SER A 42 -0.598 -8.840 -36.771 1.00 11.00 H new ATOM 0 HB2 SER A 42 0.044 -8.957 -34.256 1.00 54.00 H new ATOM 0 HB3 SER A 42 0.222 -7.214 -34.310 1.00 54.00 H new ATOM 0 HG SER A 42 -1.877 -7.017 -34.192 1.00 1.00 H new ATOM 685 N ALA A 43 1.055 -6.111 -37.022 1.00 60.00 N ATOM 686 CA ALA A 43 1.200 -4.699 -37.460 1.00 54.00 C ATOM 687 C ALA A 43 0.869 -3.755 -36.293 1.00 35.00 C ATOM 688 O ALA A 43 1.584 -2.787 -36.028 1.00 11.00 O ATOM 689 CB ALA A 43 0.384 -4.374 -38.720 1.00 13.00 C ATOM 0 H ALA A 43 1.956 -6.565 -36.869 1.00 60.00 H new ATOM 0 HA ALA A 43 2.240 -4.545 -37.748 1.00 54.00 H new ATOM 0 HB1 ALA A 43 0.532 -3.328 -38.989 1.00 13.00 H new ATOM 0 HB2 ALA A 43 0.714 -5.010 -39.541 1.00 13.00 H new ATOM 0 HB3 ALA A 43 -0.673 -4.553 -38.525 1.00 13.00 H new ATOM 695 N SER A 44 -0.200 -4.060 -35.611 1.00 43.00 N ATOM 696 CA SER A 44 -0.596 -3.401 -34.399 1.00 52.00 C ATOM 697 C SER A 44 -0.839 -4.496 -33.360 1.00 1.00 C ATOM 698 O SER A 44 -1.650 -5.395 -33.593 1.00 52.00 O ATOM 699 CB SER A 44 -1.886 -2.606 -34.640 1.00 14.00 C ATOM 700 OG SER A 44 -1.723 -1.686 -35.708 1.00 42.00 O ATOM 0 H SER A 44 -0.842 -4.801 -35.895 1.00 43.00 H new ATOM 0 HA SER A 44 0.170 -2.705 -34.058 1.00 52.00 H new ATOM 0 HB2 SER A 44 -2.703 -3.291 -34.867 1.00 14.00 H new ATOM 0 HB3 SER A 44 -2.162 -2.070 -33.732 1.00 14.00 H new ATOM 0 HG SER A 44 -2.558 -1.192 -35.845 1.00 42.00 H new ATOM 706 N GLY A 45 -0.123 -4.472 -32.267 1.00 71.00 N ATOM 707 CA GLY A 45 -0.301 -5.483 -31.252 1.00 74.00 C ATOM 708 C GLY A 45 0.696 -6.605 -31.372 1.00 13.00 C ATOM 709 O GLY A 45 1.888 -6.378 -31.610 1.00 14.00 O ATOM 0 H GLY A 45 0.585 -3.769 -32.055 1.00 71.00 H new ATOM 0 HA2 GLY A 45 -0.210 -5.024 -30.267 1.00 74.00 H new ATOM 0 HA3 GLY A 45 -1.310 -5.889 -31.322 1.00 74.00 H new ATOM 713 N ALA A 46 0.195 -7.799 -31.262 1.00 35.00 N ATOM 714 CA ALA A 46 0.938 -8.985 -31.263 1.00 73.00 C ATOM 715 C ALA A 46 -0.010 -10.002 -31.775 1.00 72.00 C ATOM 716 O ALA A 46 -1.141 -10.109 -31.271 1.00 61.00 O ATOM 717 CB ALA A 46 1.372 -9.300 -29.858 1.00 21.00 C ATOM 0 H ALA A 46 -0.807 -7.961 -31.164 1.00 35.00 H new ATOM 0 HA ALA A 46 1.843 -8.935 -31.868 1.00 73.00 H new ATOM 0 HB1 ALA A 46 1.951 -10.223 -29.854 1.00 21.00 H new ATOM 0 HB2 ALA A 46 1.986 -8.485 -29.476 1.00 21.00 H new ATOM 0 HB3 ALA A 46 0.493 -9.420 -29.224 1.00 21.00 H new ATOM 723 N ARG A 47 0.366 -10.687 -32.793 1.00 44.00 N ATOM 724 CA ARG A 47 -0.557 -11.548 -33.423 1.00 32.00 C ATOM 725 C ARG A 47 -0.214 -12.991 -33.107 1.00 20.00 C ATOM 726 O ARG A 47 0.612 -13.568 -33.785 1.00 21.00 O ATOM 727 CB ARG A 47 -0.524 -11.325 -34.953 1.00 72.00 C ATOM 728 CG ARG A 47 -1.603 -12.005 -35.741 1.00 2.00 C ATOM 729 CD ARG A 47 -2.983 -11.513 -35.345 1.00 75.00 C ATOM 730 NE ARG A 47 -3.157 -10.058 -35.544 1.00 43.00 N ATOM 731 CZ ARG A 47 -4.157 -9.487 -36.232 1.00 3.00 C ATOM 732 NH1 ARG A 47 -4.999 -10.229 -36.947 1.00 14.00 N ATOM 733 NH2 ARG A 47 -4.285 -8.163 -36.229 1.00 23.00 N ATOM 0 H ARG A 47 1.300 -10.667 -33.203 1.00 44.00 H new ATOM 0 HA ARG A 47 -1.558 -11.329 -33.052 1.00 32.00 H new ATOM 0 HB2 ARG A 47 -0.582 -10.254 -35.145 1.00 72.00 H new ATOM 0 HB3 ARG A 47 0.441 -11.664 -35.329 1.00 72.00 H new ATOM 0 HG2 ARG A 47 -1.444 -11.826 -36.804 1.00 2.00 H new ATOM 0 HG3 ARG A 47 -1.543 -13.082 -35.586 1.00 2.00 H new ATOM 0 HD2 ARG A 47 -3.734 -12.046 -35.928 1.00 75.00 H new ATOM 0 HD3 ARG A 47 -3.162 -11.755 -34.297 1.00 75.00 H new ATOM 0 HE ARG A 47 -2.462 -9.440 -35.125 1.00 43.00 H new ATOM 0 HH11 ARG A 47 -4.888 -11.242 -36.976 1.00 14.00 H new ATOM 0 HH12 ARG A 47 -5.756 -9.784 -37.466 1.00 14.00 H new ATOM 0 HH21 ARG A 47 -3.625 -7.588 -35.706 1.00 23.00 H new ATOM 0 HH22 ARG A 47 -5.043 -7.723 -36.750 1.00 23.00 H new ATOM 747 N TYR A 48 -0.794 -13.559 -32.080 1.00 71.00 N ATOM 748 CA TYR A 48 -0.543 -14.921 -31.774 1.00 21.00 C ATOM 749 C TYR A 48 -1.657 -15.670 -32.420 1.00 33.00 C ATOM 750 O TYR A 48 -2.804 -15.534 -32.033 1.00 4.00 O ATOM 751 CB TYR A 48 -0.523 -15.180 -30.266 1.00 35.00 C ATOM 752 CG TYR A 48 0.404 -14.293 -29.438 1.00 11.00 C ATOM 753 CD1 TYR A 48 -0.013 -13.050 -28.972 1.00 54.00 C ATOM 754 CD2 TYR A 48 1.675 -14.721 -29.089 1.00 42.00 C ATOM 755 CE1 TYR A 48 0.809 -12.264 -28.193 1.00 33.00 C ATOM 756 CE2 TYR A 48 2.502 -13.937 -28.299 1.00 23.00 C ATOM 757 CZ TYR A 48 2.062 -12.711 -27.857 1.00 61.00 C ATOM 758 OH TYR A 48 2.878 -11.930 -27.063 1.00 41.00 O ATOM 0 H TYR A 48 -1.442 -13.088 -31.448 1.00 71.00 H new ATOM 0 HA TYR A 48 0.437 -15.231 -32.135 1.00 21.00 H new ATOM 0 HB2 TYR A 48 -1.538 -15.063 -29.886 1.00 35.00 H new ATOM 0 HB3 TYR A 48 -0.239 -16.219 -30.101 1.00 35.00 H new ATOM 0 HD1 TYR A 48 -1.001 -12.694 -29.226 1.00 54.00 H new ATOM 0 HD2 TYR A 48 2.027 -15.681 -29.438 1.00 42.00 H new ATOM 0 HE1 TYR A 48 0.468 -11.299 -27.848 1.00 33.00 H new ATOM 0 HE2 TYR A 48 3.488 -14.288 -28.032 1.00 23.00 H new ATOM 0 HH TYR A 48 3.730 -12.391 -26.917 1.00 41.00 H new ATOM 768 N THR A 49 -1.373 -16.374 -33.451 1.00 72.00 N ATOM 769 CA THR A 49 -2.417 -17.010 -34.189 1.00 1.00 C ATOM 770 C THR A 49 -1.913 -18.275 -34.831 1.00 43.00 C ATOM 771 O THR A 49 -0.769 -18.313 -35.305 1.00 51.00 O ATOM 772 CB THR A 49 -2.967 -16.047 -35.281 1.00 44.00 C ATOM 773 OG1 THR A 49 -3.450 -14.844 -34.660 1.00 5.00 O ATOM 774 CG2 THR A 49 -4.090 -16.689 -36.081 1.00 35.00 C ATOM 0 H THR A 49 -0.431 -16.529 -33.809 1.00 72.00 H new ATOM 0 HA THR A 49 -3.222 -17.263 -33.499 1.00 1.00 H new ATOM 0 HB THR A 49 -2.152 -15.817 -35.968 1.00 44.00 H new ATOM 0 HG1 THR A 49 -3.404 -14.104 -35.301 1.00 5.00 H new ATOM 0 HG21 THR A 49 -4.448 -15.987 -36.834 1.00 35.00 H new ATOM 0 HG22 THR A 49 -3.719 -17.589 -36.572 1.00 35.00 H new ATOM 0 HG23 THR A 49 -4.909 -16.953 -35.412 1.00 35.00 H new ATOM 782 N ASP A 50 -2.717 -19.329 -34.787 1.00 64.00 N ATOM 783 CA ASP A 50 -2.371 -20.538 -35.495 1.00 74.00 C ATOM 784 C ASP A 50 -3.590 -21.401 -35.787 1.00 41.00 C ATOM 785 O ASP A 50 -3.948 -22.261 -35.006 1.00 34.00 O ATOM 786 CB ASP A 50 -1.286 -21.357 -34.790 1.00 14.00 C ATOM 787 CG ASP A 50 -0.705 -22.419 -35.703 1.00 42.00 C ATOM 788 OD1 ASP A 50 0.108 -22.071 -36.609 1.00 62.00 O ATOM 789 OD2 ASP A 50 -1.022 -23.601 -35.551 1.00 43.00 O ATOM 0 H ASP A 50 -3.598 -19.365 -34.275 1.00 64.00 H new ATOM 0 HA ASP A 50 -1.955 -20.207 -36.446 1.00 74.00 H new ATOM 0 HB2 ASP A 50 -0.491 -20.693 -34.452 1.00 14.00 H new ATOM 0 HB3 ASP A 50 -1.706 -21.830 -33.902 1.00 14.00 H new ATOM 794 N GLY A 51 -4.314 -21.027 -36.822 1.00 55.00 N ATOM 795 CA GLY A 51 -5.358 -21.865 -37.393 1.00 3.00 C ATOM 796 C GLY A 51 -6.709 -21.809 -36.708 1.00 72.00 C ATOM 797 O GLY A 51 -7.729 -21.592 -37.361 1.00 23.00 O ATOM 0 H GLY A 51 -4.197 -20.131 -37.295 1.00 55.00 H new ATOM 0 HA2 GLY A 51 -5.491 -21.583 -38.437 1.00 3.00 H new ATOM 0 HA3 GLY A 51 -5.011 -22.898 -37.384 1.00 3.00 H new ATOM 801 N ILE A 52 -6.721 -21.977 -35.411 1.00 11.00 N ATOM 802 CA ILE A 52 -7.983 -22.123 -34.673 1.00 24.00 C ATOM 803 C ILE A 52 -8.664 -20.771 -34.486 1.00 4.00 C ATOM 804 O ILE A 52 -9.834 -20.601 -34.831 1.00 40.00 O ATOM 805 CB ILE A 52 -7.836 -22.858 -33.275 1.00 51.00 C ATOM 806 CG1 ILE A 52 -7.291 -24.309 -33.399 1.00 5.00 C ATOM 807 CG2 ILE A 52 -9.183 -22.911 -32.557 1.00 1.00 C ATOM 808 CD1 ILE A 52 -5.827 -24.446 -33.754 1.00 72.00 C ATOM 0 H ILE A 52 -5.883 -22.018 -34.831 1.00 11.00 H new ATOM 0 HA ILE A 52 -8.607 -22.768 -35.292 1.00 24.00 H new ATOM 0 HB ILE A 52 -7.113 -22.273 -32.706 1.00 51.00 H new ATOM 0 HG12 ILE A 52 -7.463 -24.821 -32.452 1.00 5.00 H new ATOM 0 HG13 ILE A 52 -7.877 -24.831 -34.155 1.00 5.00 H new ATOM 0 HG21 ILE A 52 -9.065 -23.418 -31.599 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -9.545 -21.897 -32.388 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -9.901 -23.456 -33.170 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -5.564 -25.502 -33.812 1.00 72.00 H new ATOM 0 HD12 ILE A 52 -5.640 -23.972 -34.718 1.00 72.00 H new ATOM 0 HD13 ILE A 52 -5.220 -23.962 -32.989 1.00 72.00 H new ATOM 820 N TYR A 53 -7.923 -19.825 -33.973 1.00 22.00 N ATOM 821 CA TYR A 53 -8.406 -18.491 -33.745 1.00 1.00 C ATOM 822 C TYR A 53 -7.282 -17.516 -33.787 1.00 60.00 C ATOM 823 O TYR A 53 -6.103 -17.907 -33.788 1.00 50.00 O ATOM 824 CB TYR A 53 -9.203 -18.338 -32.432 1.00 51.00 C ATOM 825 CG TYR A 53 -8.585 -18.972 -31.197 1.00 3.00 C ATOM 826 CD1 TYR A 53 -7.415 -18.490 -30.631 1.00 74.00 C ATOM 827 CD2 TYR A 53 -9.186 -20.061 -30.601 1.00 34.00 C ATOM 828 CE1 TYR A 53 -6.871 -19.081 -29.509 1.00 74.00 C ATOM 829 CE2 TYR A 53 -8.648 -20.653 -29.485 1.00 55.00 C ATOM 830 CZ TYR A 53 -7.497 -20.165 -28.942 1.00 1.00 C ATOM 831 OH TYR A 53 -6.973 -20.761 -27.823 1.00 14.00 O ATOM 0 H TYR A 53 -6.951 -19.963 -33.698 1.00 22.00 H new ATOM 0 HA TYR A 53 -9.106 -18.279 -34.553 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -9.344 -17.275 -32.238 1.00 51.00 H new ATOM 0 HB3 TYR A 53 -10.193 -18.769 -32.580 1.00 51.00 H new ATOM 0 HD1 TYR A 53 -6.921 -17.638 -31.075 1.00 74.00 H new ATOM 0 HD2 TYR A 53 -10.099 -20.456 -31.021 1.00 34.00 H new ATOM 0 HE1 TYR A 53 -5.959 -18.694 -29.079 1.00 74.00 H new ATOM 0 HE2 TYR A 53 -9.137 -21.506 -29.037 1.00 55.00 H new ATOM 0 HH TYR A 53 -6.857 -20.090 -27.119 1.00 14.00 H new ATOM 841 N VAL A 54 -7.635 -16.276 -33.820 1.00 11.00 N ATOM 842 CA VAL A 54 -6.708 -15.198 -33.858 1.00 63.00 C ATOM 843 C VAL A 54 -6.653 -14.553 -32.494 1.00 44.00 C ATOM 844 O VAL A 54 -7.627 -13.944 -32.057 1.00 0.00 O ATOM 845 CB VAL A 54 -7.176 -14.152 -34.885 1.00 23.00 C ATOM 846 CG1 VAL A 54 -6.284 -12.919 -34.891 1.00 45.00 C ATOM 847 CG2 VAL A 54 -7.267 -14.752 -36.283 1.00 15.00 C ATOM 0 H VAL A 54 -8.610 -15.976 -33.821 1.00 11.00 H new ATOM 0 HA VAL A 54 -5.723 -15.572 -34.139 1.00 63.00 H new ATOM 0 HB VAL A 54 -8.174 -13.836 -34.580 1.00 23.00 H new ATOM 0 HG11 VAL A 54 -6.652 -12.208 -35.631 1.00 45.00 H new ATOM 0 HG12 VAL A 54 -6.297 -12.456 -33.904 1.00 45.00 H new ATOM 0 HG13 VAL A 54 -5.264 -13.209 -35.142 1.00 45.00 H new ATOM 0 HG21 VAL A 54 -7.600 -13.988 -36.986 1.00 15.00 H new ATOM 0 HG22 VAL A 54 -6.287 -15.120 -36.585 1.00 15.00 H new ATOM 0 HG23 VAL A 54 -7.979 -15.577 -36.279 1.00 15.00 H new ATOM 857 N PHE A 55 -5.559 -14.722 -31.808 1.00 31.00 N ATOM 858 CA PHE A 55 -5.382 -14.093 -30.530 1.00 71.00 C ATOM 859 C PHE A 55 -4.660 -12.777 -30.762 1.00 42.00 C ATOM 860 O PHE A 55 -3.430 -12.738 -30.958 1.00 25.00 O ATOM 861 CB PHE A 55 -4.599 -15.014 -29.560 1.00 62.00 C ATOM 862 CG PHE A 55 -4.420 -14.473 -28.158 1.00 5.00 C ATOM 863 CD1 PHE A 55 -3.340 -13.676 -27.836 1.00 51.00 C ATOM 864 CD2 PHE A 55 -5.328 -14.775 -27.171 1.00 14.00 C ATOM 865 CE1 PHE A 55 -3.173 -13.186 -26.556 1.00 54.00 C ATOM 866 CE2 PHE A 55 -5.173 -14.291 -25.889 1.00 62.00 C ATOM 867 CZ PHE A 55 -4.093 -13.494 -25.582 1.00 54.00 C ATOM 0 H PHE A 55 -4.772 -15.294 -32.114 1.00 31.00 H new ATOM 0 HA PHE A 55 -6.348 -13.906 -30.060 1.00 71.00 H new ATOM 0 HB2 PHE A 55 -5.115 -15.972 -29.499 1.00 62.00 H new ATOM 0 HB3 PHE A 55 -3.614 -15.209 -29.985 1.00 62.00 H new ATOM 0 HD1 PHE A 55 -2.614 -13.432 -28.597 1.00 51.00 H new ATOM 0 HD2 PHE A 55 -6.177 -15.401 -27.403 1.00 14.00 H new ATOM 0 HE1 PHE A 55 -2.323 -12.563 -26.321 1.00 54.00 H new ATOM 0 HE2 PHE A 55 -5.898 -14.537 -25.127 1.00 62.00 H new ATOM 0 HZ PHE A 55 -3.969 -13.112 -24.579 1.00 54.00 H new ATOM 877 N TRP A 56 -5.414 -11.719 -30.823 1.00 31.00 N ATOM 878 CA TRP A 56 -4.878 -10.451 -31.035 1.00 2.00 C ATOM 879 C TRP A 56 -4.721 -9.776 -29.727 1.00 71.00 C ATOM 880 O TRP A 56 -5.684 -9.524 -28.995 1.00 2.00 O ATOM 881 CB TRP A 56 -5.711 -9.622 -32.006 1.00 44.00 C ATOM 882 CG TRP A 56 -5.219 -8.213 -32.151 1.00 73.00 C ATOM 883 CD1 TRP A 56 -3.933 -7.817 -32.352 1.00 12.00 C ATOM 884 CD2 TRP A 56 -6.007 -7.017 -32.120 1.00 42.00 C ATOM 885 NE1 TRP A 56 -3.864 -6.457 -32.406 1.00 51.00 N ATOM 886 CE2 TRP A 56 -5.124 -5.938 -32.286 1.00 45.00 C ATOM 887 CE3 TRP A 56 -7.371 -6.754 -31.963 1.00 13.00 C ATOM 888 CZ2 TRP A 56 -5.555 -4.618 -32.301 1.00 2.00 C ATOM 889 CZ3 TRP A 56 -7.801 -5.441 -31.982 1.00 44.00 C ATOM 890 CH2 TRP A 56 -6.895 -4.388 -32.150 1.00 2.00 C ATOM 0 H TRP A 56 -6.429 -11.736 -30.723 1.00 31.00 H new ATOM 0 HA TRP A 56 -3.901 -10.557 -31.507 1.00 2.00 H new ATOM 0 HB2 TRP A 56 -5.705 -10.105 -32.983 1.00 44.00 H new ATOM 0 HB3 TRP A 56 -6.746 -9.605 -31.665 1.00 44.00 H new ATOM 0 HD1 TRP A 56 -3.089 -8.484 -32.454 1.00 12.00 H new ATOM 0 HE1 TRP A 56 -3.009 -5.913 -32.518 1.00 51.00 H new ATOM 0 HE3 TRP A 56 -8.075 -7.562 -31.829 1.00 13.00 H new ATOM 0 HZ2 TRP A 56 -4.858 -3.803 -32.427 1.00 2.00 H new ATOM 0 HZ3 TRP A 56 -8.853 -5.224 -31.865 1.00 44.00 H new ATOM 0 HH2 TRP A 56 -7.261 -3.372 -32.161 1.00 2.00 H new ATOM 901 N SER A 57 -3.531 -9.520 -29.446 1.00 1.00 N ATOM 902 CA SER A 57 -3.136 -8.900 -28.247 1.00 12.00 C ATOM 903 C SER A 57 -2.654 -7.527 -28.612 1.00 4.00 C ATOM 904 O SER A 57 -1.665 -7.396 -29.301 1.00 70.00 O ATOM 905 CB SER A 57 -1.996 -9.711 -27.624 1.00 73.00 C ATOM 906 OG SER A 57 -1.633 -9.217 -26.349 1.00 64.00 O ATOM 0 H SER A 57 -2.753 -9.742 -30.067 1.00 1.00 H new ATOM 0 HA SER A 57 -3.954 -8.842 -27.529 1.00 12.00 H new ATOM 0 HB2 SER A 57 -2.298 -10.755 -27.536 1.00 73.00 H new ATOM 0 HB3 SER A 57 -1.129 -9.685 -28.284 1.00 73.00 H new ATOM 0 HG SER A 57 -0.904 -9.761 -25.983 1.00 64.00 H new ATOM 912 N LYS A 58 -3.375 -6.512 -28.237 1.00 14.00 N ATOM 913 CA LYS A 58 -2.948 -5.187 -28.528 1.00 43.00 C ATOM 914 C LYS A 58 -2.042 -4.694 -27.407 1.00 71.00 C ATOM 915 O LYS A 58 -1.202 -3.811 -27.604 1.00 64.00 O ATOM 916 CB LYS A 58 -4.163 -4.311 -28.715 1.00 61.00 C ATOM 917 CG LYS A 58 -3.875 -2.898 -29.138 1.00 32.00 C ATOM 918 CD LYS A 58 -5.156 -2.231 -29.536 1.00 3.00 C ATOM 919 CE LYS A 58 -4.928 -0.784 -29.946 1.00 34.00 C ATOM 920 NZ LYS A 58 -6.157 -0.151 -30.461 1.00 52.00 N ATOM 0 H LYS A 58 -4.258 -6.581 -27.731 1.00 14.00 H new ATOM 0 HA LYS A 58 -2.371 -5.156 -29.452 1.00 43.00 H new ATOM 0 HB2 LYS A 58 -4.812 -4.771 -29.460 1.00 61.00 H new ATOM 0 HB3 LYS A 58 -4.721 -4.286 -27.779 1.00 61.00 H new ATOM 0 HG2 LYS A 58 -3.405 -2.350 -28.321 1.00 32.00 H new ATOM 0 HG3 LYS A 58 -3.173 -2.891 -29.972 1.00 32.00 H new ATOM 0 HD2 LYS A 58 -5.610 -2.777 -30.363 1.00 3.00 H new ATOM 0 HD3 LYS A 58 -5.860 -2.268 -28.705 1.00 3.00 H new ATOM 0 HE2 LYS A 58 -4.562 -0.219 -29.089 1.00 34.00 H new ATOM 0 HE3 LYS A 58 -4.152 -0.743 -30.710 1.00 34.00 H new ATOM 0 HZ1 LYS A 58 -5.955 0.834 -30.728 1.00 52.00 H new ATOM 0 HZ2 LYS A 58 -6.494 -0.674 -31.295 1.00 52.00 H new ATOM 0 HZ3 LYS A 58 -6.890 -0.166 -29.724 1.00 52.00 H new ATOM 934 N GLY A 59 -2.180 -5.313 -26.255 1.00 35.00 N ATOM 935 CA GLY A 59 -1.373 -4.963 -25.118 1.00 14.00 C ATOM 936 C GLY A 59 -2.124 -5.166 -23.841 1.00 71.00 C ATOM 937 O GLY A 59 -2.041 -6.217 -23.222 1.00 74.00 O ATOM 0 H GLY A 59 -2.849 -6.064 -26.086 1.00 35.00 H new ATOM 0 HA2 GLY A 59 -0.467 -5.569 -25.111 1.00 14.00 H new ATOM 0 HA3 GLY A 59 -1.059 -3.922 -25.197 1.00 14.00 H new ATOM 941 N ASP A 60 -2.914 -4.185 -23.483 1.00 72.00 N ATOM 942 CA ASP A 60 -3.697 -4.236 -22.254 1.00 44.00 C ATOM 943 C ASP A 60 -5.062 -4.755 -22.583 1.00 52.00 C ATOM 944 O ASP A 60 -5.891 -4.966 -21.714 1.00 11.00 O ATOM 945 CB ASP A 60 -3.854 -2.844 -21.621 1.00 12.00 C ATOM 946 CG ASP A 60 -2.561 -2.181 -21.232 1.00 71.00 C ATOM 947 OD1 ASP A 60 -2.105 -2.346 -20.087 1.00 62.00 O ATOM 948 OD2 ASP A 60 -2.000 -1.418 -22.064 1.00 3.00 O ATOM 0 H ASP A 60 -3.039 -3.330 -24.025 1.00 72.00 H new ATOM 0 HA ASP A 60 -3.178 -4.882 -21.546 1.00 44.00 H new ATOM 0 HB2 ASP A 60 -4.381 -2.198 -22.323 1.00 12.00 H new ATOM 0 HB3 ASP A 60 -4.483 -2.932 -20.735 1.00 12.00 H new ATOM 953 N GLU A 61 -5.285 -4.962 -23.845 1.00 15.00 N ATOM 954 CA GLU A 61 -6.531 -5.389 -24.358 1.00 2.00 C ATOM 955 C GLU A 61 -6.280 -6.465 -25.389 1.00 61.00 C ATOM 956 O GLU A 61 -5.250 -6.435 -26.097 1.00 64.00 O ATOM 957 CB GLU A 61 -7.287 -4.182 -24.913 1.00 2.00 C ATOM 958 CG GLU A 61 -6.492 -3.370 -25.907 1.00 44.00 C ATOM 959 CD GLU A 61 -7.108 -2.029 -26.195 1.00 41.00 C ATOM 960 OE1 GLU A 61 -8.018 -1.948 -27.023 1.00 42.00 O ATOM 961 OE2 GLU A 61 -6.676 -1.025 -25.595 1.00 11.00 O ATOM 0 H GLU A 61 -4.573 -4.831 -24.563 1.00 15.00 H new ATOM 0 HA GLU A 61 -7.161 -5.822 -23.581 1.00 2.00 H new ATOM 0 HB2 GLU A 61 -8.204 -4.527 -25.391 1.00 2.00 H new ATOM 0 HB3 GLU A 61 -7.582 -3.538 -24.085 1.00 2.00 H new ATOM 0 HG2 GLU A 61 -5.482 -3.225 -25.524 1.00 44.00 H new ATOM 0 HG3 GLU A 61 -6.403 -3.930 -26.838 1.00 44.00 H new ATOM 968 N ALA A 62 -7.159 -7.418 -25.452 1.00 52.00 N ATOM 969 CA ALA A 62 -6.994 -8.539 -26.286 1.00 22.00 C ATOM 970 C ALA A 62 -8.328 -8.916 -26.867 1.00 44.00 C ATOM 971 O ALA A 62 -9.375 -8.719 -26.242 1.00 20.00 O ATOM 972 CB ALA A 62 -6.426 -9.702 -25.488 1.00 72.00 C ATOM 0 H ALA A 62 -8.023 -7.426 -24.910 1.00 52.00 H new ATOM 0 HA ALA A 62 -6.299 -8.298 -27.091 1.00 22.00 H new ATOM 0 HB1 ALA A 62 -6.302 -10.565 -26.142 1.00 72.00 H new ATOM 0 HB2 ALA A 62 -5.459 -9.420 -25.072 1.00 72.00 H new ATOM 0 HB3 ALA A 62 -7.110 -9.956 -24.678 1.00 72.00 H new ATOM 978 N THR A 63 -8.299 -9.392 -28.044 1.00 60.00 N ATOM 979 CA THR A 63 -9.467 -9.840 -28.738 1.00 2.00 C ATOM 980 C THR A 63 -9.129 -11.085 -29.558 1.00 14.00 C ATOM 981 O THR A 63 -8.226 -11.077 -30.394 1.00 21.00 O ATOM 982 CB THR A 63 -10.043 -8.713 -29.618 1.00 51.00 C ATOM 983 OG1 THR A 63 -10.357 -7.594 -28.764 1.00 4.00 O ATOM 984 CG2 THR A 63 -11.307 -9.159 -30.336 1.00 12.00 C ATOM 0 H THR A 63 -7.439 -9.491 -28.584 1.00 60.00 H new ATOM 0 HA THR A 63 -10.238 -10.107 -28.015 1.00 2.00 H new ATOM 0 HB THR A 63 -9.305 -8.441 -30.373 1.00 51.00 H new ATOM 0 HG1 THR A 63 -10.724 -6.863 -29.304 1.00 4.00 H new ATOM 0 HG21 THR A 63 -11.686 -8.340 -30.947 1.00 12.00 H new ATOM 0 HG22 THR A 63 -11.081 -10.014 -30.974 1.00 12.00 H new ATOM 0 HG23 THR A 63 -12.061 -9.443 -29.602 1.00 12.00 H new ATOM 992 N VAL A 64 -9.828 -12.145 -29.277 1.00 25.00 N ATOM 993 CA VAL A 64 -9.607 -13.402 -29.883 1.00 15.00 C ATOM 994 C VAL A 64 -10.753 -13.674 -30.822 1.00 44.00 C ATOM 995 O VAL A 64 -11.844 -14.086 -30.390 1.00 25.00 O ATOM 996 CB VAL A 64 -9.538 -14.515 -28.831 1.00 65.00 C ATOM 997 CG1 VAL A 64 -9.088 -15.799 -29.459 1.00 10.00 C ATOM 998 CG2 VAL A 64 -8.642 -14.132 -27.672 1.00 44.00 C ATOM 0 H VAL A 64 -10.588 -12.147 -28.597 1.00 25.00 H new ATOM 0 HA VAL A 64 -8.658 -13.384 -30.418 1.00 15.00 H new ATOM 0 HB VAL A 64 -10.541 -14.660 -28.429 1.00 65.00 H new ATOM 0 HG11 VAL A 64 -9.044 -16.580 -28.700 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -9.793 -16.090 -30.238 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -8.099 -15.663 -29.897 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -8.618 -14.945 -26.947 1.00 44.00 H new ATOM 0 HG22 VAL A 64 -7.633 -13.943 -28.039 1.00 44.00 H new ATOM 0 HG23 VAL A 64 -9.029 -13.232 -27.195 1.00 44.00 H new ATOM 1008 N TYR A 65 -10.513 -13.419 -32.069 1.00 15.00 N ATOM 1009 CA TYR A 65 -11.512 -13.492 -33.101 1.00 53.00 C ATOM 1010 C TYR A 65 -11.016 -14.225 -34.300 1.00 51.00 C ATOM 1011 O TYR A 65 -10.121 -13.771 -34.989 1.00 34.00 O ATOM 1012 CB TYR A 65 -11.951 -12.050 -33.495 1.00 23.00 C ATOM 1013 CG TYR A 65 -12.568 -11.850 -34.912 1.00 15.00 C ATOM 1014 CD1 TYR A 65 -13.906 -12.114 -35.185 1.00 73.00 C ATOM 1015 CD2 TYR A 65 -11.778 -11.385 -35.969 1.00 0.00 C ATOM 1016 CE1 TYR A 65 -14.435 -11.929 -36.451 1.00 3.00 C ATOM 1017 CE2 TYR A 65 -12.302 -11.202 -37.234 1.00 72.00 C ATOM 1018 CZ TYR A 65 -13.630 -11.475 -37.469 1.00 12.00 C ATOM 1019 OH TYR A 65 -14.154 -11.302 -38.736 1.00 34.00 O ATOM 0 H TYR A 65 -9.592 -13.146 -32.413 1.00 15.00 H new ATOM 0 HA TYR A 65 -12.366 -14.047 -32.712 1.00 53.00 H new ATOM 0 HB2 TYR A 65 -12.678 -11.707 -32.759 1.00 23.00 H new ATOM 0 HB3 TYR A 65 -11.081 -11.398 -33.411 1.00 23.00 H new ATOM 0 HD1 TYR A 65 -14.546 -12.471 -34.392 1.00 73.00 H new ATOM 0 HD2 TYR A 65 -10.736 -11.164 -35.792 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.477 -12.141 -36.638 1.00 3.00 H new ATOM 0 HE2 TYR A 65 -11.672 -10.846 -38.036 1.00 72.00 H new ATOM 0 HH TYR A 65 -13.453 -10.975 -39.338 1.00 34.00 H new ATOM 1029 N LYS A 66 -11.531 -15.379 -34.511 1.00 52.00 N ATOM 1030 CA LYS A 66 -11.409 -15.963 -35.747 1.00 73.00 C ATOM 1031 C LYS A 66 -12.671 -15.512 -36.417 1.00 24.00 C ATOM 1032 O LYS A 66 -13.666 -15.261 -35.741 1.00 50.00 O ATOM 1033 CB LYS A 66 -11.430 -17.484 -35.708 1.00 23.00 C ATOM 1034 CG LYS A 66 -10.892 -18.076 -36.999 1.00 50.00 C ATOM 1035 CD LYS A 66 -11.479 -19.425 -37.323 1.00 13.00 C ATOM 1036 CE LYS A 66 -10.896 -19.947 -38.624 1.00 75.00 C ATOM 1037 NZ LYS A 66 -11.661 -21.088 -39.158 1.00 0.00 N ATOM 0 H LYS A 66 -12.043 -15.926 -33.819 1.00 52.00 H new ATOM 0 HA LYS A 66 -10.468 -15.691 -36.224 1.00 73.00 H new ATOM 0 HB2 LYS A 66 -10.833 -17.837 -34.867 1.00 23.00 H new ATOM 0 HB3 LYS A 66 -12.450 -17.832 -35.543 1.00 23.00 H new ATOM 0 HG2 LYS A 66 -11.100 -17.390 -37.820 1.00 50.00 H new ATOM 0 HG3 LYS A 66 -9.808 -18.167 -36.926 1.00 50.00 H new ATOM 0 HD2 LYS A 66 -11.270 -20.125 -36.514 1.00 13.00 H new ATOM 0 HD3 LYS A 66 -12.563 -19.348 -37.406 1.00 13.00 H new ATOM 0 HE2 LYS A 66 -10.881 -19.145 -39.361 1.00 75.00 H new ATOM 0 HE3 LYS A 66 -9.862 -20.249 -38.461 1.00 75.00 H new ATOM 0 HZ1 LYS A 66 -11.138 -21.518 -39.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.799 -21.795 -38.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.587 -20.757 -39.496 1.00 0.00 H new ATOM 1051 N ARG A 67 -12.642 -15.424 -37.668 1.00 33.00 N ATOM 1052 CA ARG A 67 -13.785 -15.020 -38.475 1.00 43.00 C ATOM 1053 C ARG A 67 -15.019 -15.883 -38.161 1.00 30.00 C ATOM 1054 O ARG A 67 -16.144 -15.392 -38.100 1.00 34.00 O ATOM 1055 CB ARG A 67 -13.415 -15.148 -39.937 1.00 3.00 C ATOM 1056 CG ARG A 67 -14.521 -14.805 -40.897 1.00 20.00 C ATOM 1057 CD ARG A 67 -14.045 -15.002 -42.300 1.00 53.00 C ATOM 1058 NE ARG A 67 -15.106 -14.807 -43.274 1.00 52.00 N ATOM 1059 CZ ARG A 67 -15.033 -15.146 -44.561 1.00 23.00 C ATOM 1060 NH1 ARG A 67 -13.919 -15.685 -45.057 1.00 24.00 N ATOM 1061 NH2 ARG A 67 -16.080 -14.955 -45.354 1.00 64.00 N ATOM 0 H ARG A 67 -11.809 -15.630 -38.219 1.00 33.00 H new ATOM 0 HA ARG A 67 -14.039 -13.986 -38.242 1.00 43.00 H new ATOM 0 HB2 ARG A 67 -12.562 -14.500 -40.140 1.00 3.00 H new ATOM 0 HB3 ARG A 67 -13.091 -16.171 -40.128 1.00 3.00 H new ATOM 0 HG2 ARG A 67 -15.391 -15.434 -40.706 1.00 20.00 H new ATOM 0 HG3 ARG A 67 -14.836 -13.772 -40.751 1.00 20.00 H new ATOM 0 HD2 ARG A 67 -13.232 -14.306 -42.507 1.00 53.00 H new ATOM 0 HD3 ARG A 67 -13.638 -16.008 -42.406 1.00 53.00 H new ATOM 0 HE ARG A 67 -15.972 -14.378 -42.948 1.00 52.00 H new ATOM 0 HH11 ARG A 67 -13.114 -15.841 -44.450 1.00 24.00 H new ATOM 0 HH12 ARG A 67 -13.872 -15.941 -46.043 1.00 24.00 H new ATOM 0 HH21 ARG A 67 -16.937 -14.550 -44.978 1.00 64.00 H new ATOM 0 HH22 ARG A 67 -16.027 -15.213 -46.339 1.00 64.00 H new ATOM 1075 N ASP A 68 -14.771 -17.144 -37.868 1.00 34.00 N ATOM 1076 CA ASP A 68 -15.820 -18.103 -37.619 1.00 34.00 C ATOM 1077 C ASP A 68 -16.122 -18.167 -36.168 1.00 13.00 C ATOM 1078 O ASP A 68 -17.216 -18.597 -35.776 1.00 2.00 O ATOM 1079 CB ASP A 68 -15.409 -19.512 -38.053 1.00 4.00 C ATOM 1080 CG ASP A 68 -14.987 -19.620 -39.479 1.00 3.00 C ATOM 1081 OD1 ASP A 68 -13.789 -19.447 -39.758 1.00 41.00 O ATOM 1082 OD2 ASP A 68 -15.829 -19.912 -40.339 1.00 3.00 O ATOM 0 H ASP A 68 -13.830 -17.531 -37.796 1.00 34.00 H new ATOM 0 HA ASP A 68 -16.688 -17.775 -38.191 1.00 34.00 H new ATOM 0 HB2 ASP A 68 -14.590 -19.850 -37.418 1.00 4.00 H new ATOM 0 HB3 ASP A 68 -16.245 -20.190 -37.882 1.00 4.00 H new ATOM 1087 N ARG A 69 -15.181 -17.734 -35.355 1.00 53.00 N ATOM 1088 CA ARG A 69 -15.335 -17.915 -33.949 1.00 70.00 C ATOM 1089 C ARG A 69 -14.487 -16.975 -33.082 1.00 14.00 C ATOM 1090 O ARG A 69 -13.252 -17.070 -33.033 1.00 42.00 O ATOM 1091 CB ARG A 69 -15.102 -19.379 -33.540 1.00 4.00 C ATOM 1092 CG ARG A 69 -15.433 -19.681 -32.082 1.00 51.00 C ATOM 1093 CD ARG A 69 -16.883 -19.331 -31.777 1.00 31.00 C ATOM 1094 NE ARG A 69 -17.289 -19.725 -30.430 1.00 70.00 N ATOM 1095 CZ ARG A 69 -18.123 -19.028 -29.644 1.00 42.00 C ATOM 1096 NH1 ARG A 69 -18.539 -17.812 -30.008 1.00 13.00 N ATOM 1097 NH2 ARG A 69 -18.511 -19.537 -28.482 1.00 25.00 N ATOM 0 H ARG A 69 -14.323 -17.265 -35.646 1.00 53.00 H new ATOM 0 HA ARG A 69 -16.372 -17.644 -33.751 1.00 70.00 H new ATOM 0 HB2 ARG A 69 -15.706 -20.024 -34.179 1.00 4.00 H new ATOM 0 HB3 ARG A 69 -14.059 -19.634 -33.724 1.00 4.00 H new ATOM 0 HG2 ARG A 69 -15.257 -20.737 -31.875 1.00 51.00 H new ATOM 0 HG3 ARG A 69 -14.771 -19.113 -31.428 1.00 51.00 H new ATOM 0 HD2 ARG A 69 -17.025 -18.257 -31.895 1.00 31.00 H new ATOM 0 HD3 ARG A 69 -17.531 -19.820 -32.505 1.00 31.00 H new ATOM 0 HE ARG A 69 -16.909 -20.596 -30.059 1.00 70.00 H new ATOM 0 HH11 ARG A 69 -18.222 -17.407 -30.889 1.00 13.00 H new ATOM 0 HH12 ARG A 69 -19.173 -17.288 -29.405 1.00 13.00 H new ATOM 0 HH21 ARG A 69 -18.175 -20.455 -28.190 1.00 25.00 H new ATOM 0 HH22 ARG A 69 -19.145 -19.011 -27.881 1.00 25.00 H new ATOM 1111 N ILE A 70 -15.161 -16.063 -32.456 1.00 12.00 N ATOM 1112 CA ILE A 70 -14.613 -15.259 -31.393 1.00 11.00 C ATOM 1113 C ILE A 70 -14.759 -16.060 -30.159 1.00 44.00 C ATOM 1114 O ILE A 70 -15.765 -16.725 -29.956 1.00 2.00 O ATOM 1115 CB ILE A 70 -15.424 -13.954 -31.164 1.00 0.00 C ATOM 1116 CG1 ILE A 70 -15.485 -13.133 -32.411 1.00 21.00 C ATOM 1117 CG2 ILE A 70 -14.851 -13.122 -30.007 1.00 23.00 C ATOM 1118 CD1 ILE A 70 -16.359 -11.895 -32.313 1.00 21.00 C ATOM 0 H ILE A 70 -16.134 -15.846 -32.671 1.00 12.00 H new ATOM 0 HA ILE A 70 -13.586 -14.993 -31.644 1.00 11.00 H new ATOM 0 HB ILE A 70 -16.437 -14.252 -30.893 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -14.474 -12.827 -32.678 1.00 21.00 H new ATOM 0 HG13 ILE A 70 -15.854 -13.758 -33.224 1.00 21.00 H new ATOM 0 HG21 ILE A 70 -15.446 -12.218 -29.879 1.00 23.00 H new ATOM 0 HG22 ILE A 70 -14.880 -13.708 -29.088 1.00 23.00 H new ATOM 0 HG23 ILE A 70 -13.820 -12.849 -30.231 1.00 23.00 H new ATOM 0 HD11 ILE A 70 -16.343 -11.362 -33.264 1.00 21.00 H new ATOM 0 HD12 ILE A 70 -17.382 -12.189 -32.079 1.00 21.00 H new ATOM 0 HD13 ILE A 70 -15.980 -11.244 -31.525 1.00 21.00 H new ATOM 1130 N VAL A 71 -13.786 -16.019 -29.366 1.00 43.00 N ATOM 1131 CA VAL A 71 -13.862 -16.654 -28.093 1.00 31.00 C ATOM 1132 C VAL A 71 -13.745 -15.643 -26.994 1.00 44.00 C ATOM 1133 O VAL A 71 -14.417 -15.749 -25.983 1.00 52.00 O ATOM 1134 CB VAL A 71 -12.938 -17.918 -27.907 1.00 4.00 C ATOM 1135 CG1 VAL A 71 -13.560 -19.127 -28.586 1.00 44.00 C ATOM 1136 CG2 VAL A 71 -11.570 -17.709 -28.499 1.00 14.00 C ATOM 0 H VAL A 71 -12.902 -15.549 -29.560 1.00 43.00 H new ATOM 0 HA VAL A 71 -14.857 -17.096 -28.035 1.00 31.00 H new ATOM 0 HB VAL A 71 -12.841 -18.080 -26.834 1.00 4.00 H new ATOM 0 HG11 VAL A 71 -12.913 -19.993 -28.451 1.00 44.00 H new ATOM 0 HG12 VAL A 71 -14.536 -19.330 -28.145 1.00 44.00 H new ATOM 0 HG13 VAL A 71 -13.678 -18.925 -29.651 1.00 44.00 H new ATOM 0 HG21 VAL A 71 -10.967 -18.605 -28.348 1.00 14.00 H new ATOM 0 HG22 VAL A 71 -11.662 -17.509 -29.567 1.00 14.00 H new ATOM 0 HG23 VAL A 71 -11.088 -16.861 -28.012 1.00 14.00 H new ATOM 1146 N LEU A 72 -12.994 -14.584 -27.237 1.00 12.00 N ATOM 1147 CA LEU A 72 -12.803 -13.565 -26.198 1.00 71.00 C ATOM 1148 C LEU A 72 -12.649 -12.186 -26.824 1.00 32.00 C ATOM 1149 O LEU A 72 -11.616 -11.892 -27.373 1.00 15.00 O ATOM 1150 CB LEU A 72 -11.548 -13.821 -25.289 1.00 63.00 C ATOM 1151 CG LEU A 72 -11.481 -15.108 -24.434 1.00 61.00 C ATOM 1152 CD1 LEU A 72 -11.045 -16.312 -25.240 1.00 31.00 C ATOM 1153 CD2 LEU A 72 -10.578 -14.922 -23.236 1.00 35.00 C ATOM 0 H LEU A 72 -12.514 -14.401 -28.118 1.00 12.00 H new ATOM 0 HA LEU A 72 -13.694 -13.621 -25.573 1.00 71.00 H new ATOM 0 HB2 LEU A 72 -10.669 -13.810 -25.934 1.00 63.00 H new ATOM 0 HB3 LEU A 72 -11.456 -12.972 -24.611 1.00 63.00 H new ATOM 0 HG LEU A 72 -12.494 -15.300 -24.081 1.00 61.00 H new ATOM 0 HD11 LEU A 72 -11.014 -17.190 -24.595 1.00 31.00 H new ATOM 0 HD12 LEU A 72 -11.753 -16.483 -26.051 1.00 31.00 H new ATOM 0 HD13 LEU A 72 -10.054 -16.132 -25.656 1.00 31.00 H new ATOM 0 HD21 LEU A 72 -10.551 -15.843 -22.654 1.00 35.00 H new ATOM 0 HD22 LEU A 72 -9.571 -14.677 -23.574 1.00 35.00 H new ATOM 0 HD23 LEU A 72 -10.960 -14.112 -22.615 1.00 35.00 H new ATOM 1165 N ASN A 73 -13.655 -11.342 -26.772 1.00 14.00 N ATOM 1166 CA ASN A 73 -13.479 -9.990 -27.342 1.00 44.00 C ATOM 1167 C ASN A 73 -13.483 -8.904 -26.265 1.00 42.00 C ATOM 1168 O ASN A 73 -13.530 -7.702 -26.566 1.00 31.00 O ATOM 1169 CB ASN A 73 -14.488 -9.661 -28.479 1.00 22.00 C ATOM 1170 CG ASN A 73 -15.921 -9.438 -28.019 1.00 61.00 C ATOM 1171 OD1 ASN A 73 -16.310 -8.319 -27.674 1.00 63.00 O ATOM 1172 ND2 ASN A 73 -16.717 -10.464 -28.059 1.00 2.00 N ATOM 0 H ASN A 73 -14.570 -11.536 -26.365 1.00 14.00 H new ATOM 0 HA ASN A 73 -12.491 -9.999 -27.802 1.00 44.00 H new ATOM 0 HB2 ASN A 73 -14.146 -8.767 -29.001 1.00 22.00 H new ATOM 0 HB3 ASN A 73 -14.477 -10.476 -29.202 1.00 22.00 H new ATOM 0 HD21 ASN A 73 -17.698 -10.359 -27.800 1.00 2.00 H new ATOM 0 HD22 ASN A 73 -16.361 -11.375 -28.349 1.00 2.00 H new ATOM 1179 N ASN A 74 -13.298 -9.320 -25.039 1.00 43.00 N ATOM 1180 CA ASN A 74 -13.343 -8.445 -23.897 1.00 25.00 C ATOM 1181 C ASN A 74 -12.348 -8.958 -22.912 1.00 52.00 C ATOM 1182 O ASN A 74 -12.659 -9.784 -22.046 1.00 43.00 O ATOM 1183 CB ASN A 74 -14.730 -8.369 -23.246 1.00 22.00 C ATOM 1184 CG ASN A 74 -14.809 -7.258 -22.204 1.00 72.00 C ATOM 1185 OD1 ASN A 74 -14.514 -7.460 -21.020 1.00 72.00 O ATOM 1186 ND2 ASN A 74 -15.225 -6.090 -22.631 1.00 25.00 N ATOM 0 H ASN A 74 -13.108 -10.294 -24.802 1.00 43.00 H new ATOM 0 HA ASN A 74 -13.112 -7.431 -24.224 1.00 25.00 H new ATOM 0 HB2 ASN A 74 -15.483 -8.199 -24.015 1.00 22.00 H new ATOM 0 HB3 ASN A 74 -14.963 -9.325 -22.776 1.00 22.00 H new ATOM 0 HD21 ASN A 74 -15.314 -5.311 -21.979 1.00 25.00 H new ATOM 0 HD22 ASN A 74 -15.459 -5.961 -23.615 1.00 25.00 H new ATOM 1193 N CYS A 75 -11.153 -8.564 -23.134 1.00 52.00 N ATOM 1194 CA CYS A 75 -10.031 -8.940 -22.364 1.00 4.00 C ATOM 1195 C CYS A 75 -9.172 -7.762 -22.173 1.00 22.00 C ATOM 1196 O CYS A 75 -8.798 -7.086 -23.126 1.00 44.00 O ATOM 1197 CB CYS A 75 -9.283 -10.091 -22.996 1.00 3.00 C ATOM 1198 SG CYS A 75 -10.105 -11.665 -22.707 1.00 21.00 S ATOM 0 H CYS A 75 -10.918 -7.935 -23.901 1.00 52.00 H new ATOM 0 HA CYS A 75 -10.363 -9.297 -21.389 1.00 4.00 H new ATOM 0 HB2 CYS A 75 -9.193 -9.920 -24.069 1.00 3.00 H new ATOM 0 HB3 CYS A 75 -8.271 -10.131 -22.594 1.00 3.00 H new ATOM 1203 N GLN A 76 -8.890 -7.510 -20.952 1.00 1.00 N ATOM 1204 CA GLN A 76 -8.227 -6.364 -20.515 1.00 63.00 C ATOM 1205 C GLN A 76 -7.421 -6.769 -19.335 1.00 15.00 C ATOM 1206 O GLN A 76 -7.907 -7.034 -18.239 1.00 1.00 O ATOM 1207 CB GLN A 76 -9.236 -5.294 -20.219 1.00 12.00 C ATOM 1208 CG GLN A 76 -10.504 -5.901 -19.748 1.00 62.00 C ATOM 1209 CD GLN A 76 -11.580 -4.898 -19.427 1.00 45.00 C ATOM 1210 OE1 GLN A 76 -11.299 -3.776 -19.032 1.00 11.00 O ATOM 1211 NE2 GLN A 76 -12.812 -5.289 -19.588 1.00 40.00 N ATOM 0 H GLN A 76 -9.135 -8.144 -20.191 1.00 1.00 H new ATOM 0 HA GLN A 76 -7.558 -5.942 -21.265 1.00 63.00 H new ATOM 0 HB2 GLN A 76 -8.845 -4.616 -19.460 1.00 12.00 H new ATOM 0 HB3 GLN A 76 -9.419 -4.700 -21.114 1.00 12.00 H new ATOM 0 HG2 GLN A 76 -10.874 -6.584 -20.513 1.00 62.00 H new ATOM 0 HG3 GLN A 76 -10.301 -6.498 -18.859 1.00 62.00 H new ATOM 0 HE21 GLN A 76 -13.008 -6.233 -19.920 1.00 40.00 H new ATOM 0 HE22 GLN A 76 -13.581 -4.651 -19.382 1.00 40.00 H new ATOM 1220 N LEU A 77 -6.232 -6.878 -19.626 1.00 13.00 N ATOM 1221 CA LEU A 77 -5.216 -7.449 -18.795 1.00 2.00 C ATOM 1222 C LEU A 77 -4.655 -6.436 -17.819 1.00 74.00 C ATOM 1223 O LEU A 77 -4.572 -5.255 -18.148 1.00 51.00 O ATOM 1224 CB LEU A 77 -4.107 -7.942 -19.729 1.00 2.00 C ATOM 1225 CG LEU A 77 -2.773 -8.401 -19.129 1.00 44.00 C ATOM 1226 CD1 LEU A 77 -2.941 -9.613 -18.261 1.00 11.00 C ATOM 1227 CD2 LEU A 77 -1.786 -8.654 -20.249 1.00 50.00 C ATOM 0 H LEU A 77 -5.866 -6.555 -20.522 1.00 13.00 H new ATOM 0 HA LEU A 77 -5.635 -8.261 -18.201 1.00 2.00 H new ATOM 0 HB2 LEU A 77 -4.510 -8.774 -20.307 1.00 2.00 H new ATOM 0 HB3 LEU A 77 -3.891 -7.139 -20.434 1.00 2.00 H new ATOM 0 HG LEU A 77 -2.387 -7.612 -18.484 1.00 44.00 H new ATOM 0 HD11 LEU A 77 -1.973 -9.907 -17.855 1.00 11.00 H new ATOM 0 HD12 LEU A 77 -3.623 -9.383 -17.443 1.00 11.00 H new ATOM 0 HD13 LEU A 77 -3.349 -10.431 -18.854 1.00 11.00 H new ATOM 0 HD21 LEU A 77 -0.835 -8.981 -19.829 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -2.176 -9.428 -20.910 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -1.636 -7.735 -20.816 1.00 50.00 H new ATOM 1239 N GLN A 78 -4.291 -6.882 -16.618 1.00 21.00 N ATOM 1240 CA GLN A 78 -3.589 -5.983 -15.700 1.00 12.00 C ATOM 1241 C GLN A 78 -2.088 -6.061 -15.960 1.00 52.00 C ATOM 1242 O GLN A 78 -1.464 -5.106 -16.434 1.00 41.00 O ATOM 1243 CB GLN A 78 -3.870 -6.298 -14.224 1.00 21.00 C ATOM 1244 CG GLN A 78 -5.292 -6.046 -13.765 1.00 41.00 C ATOM 1245 CD GLN A 78 -5.468 -6.369 -12.293 1.00 5.00 C ATOM 1246 OE1 GLN A 78 -5.271 -5.520 -11.425 1.00 54.00 O ATOM 1247 NE2 GLN A 78 -5.826 -7.580 -11.996 1.00 53.00 N ATOM 0 H GLN A 78 -4.461 -7.824 -16.265 1.00 21.00 H new ATOM 0 HA GLN A 78 -3.961 -4.976 -15.890 1.00 12.00 H new ATOM 0 HB2 GLN A 78 -3.627 -7.345 -14.041 1.00 21.00 H new ATOM 0 HB3 GLN A 78 -3.196 -5.702 -13.608 1.00 21.00 H new ATOM 0 HG2 GLN A 78 -5.553 -5.003 -13.943 1.00 41.00 H new ATOM 0 HG3 GLN A 78 -5.979 -6.652 -14.356 1.00 41.00 H new ATOM 0 HE21 GLN A 78 -5.982 -8.262 -12.738 1.00 53.00 H new ATOM 0 HE22 GLN A 78 -5.951 -7.850 -11.020 1.00 53.00 H new ATOM 1256 N ASN A 79 -1.530 -7.221 -15.710 1.00 33.00 N ATOM 1257 CA ASN A 79 -0.126 -7.477 -15.846 1.00 53.00 C ATOM 1258 C ASN A 79 -0.008 -8.947 -15.980 1.00 42.00 C ATOM 1259 O ASN A 79 -0.571 -9.675 -15.163 1.00 30.00 O ATOM 1260 CB ASN A 79 0.649 -7.007 -14.597 1.00 31.00 C ATOM 1261 CG ASN A 79 2.129 -7.392 -14.625 1.00 74.00 C ATOM 1262 OD1 ASN A 79 2.754 -7.495 -15.685 1.00 72.00 O ATOM 1263 ND2 ASN A 79 2.685 -7.627 -13.475 1.00 50.00 N ATOM 0 H ASN A 79 -2.061 -8.034 -15.397 1.00 33.00 H new ATOM 0 HA ASN A 79 0.291 -6.942 -16.700 1.00 53.00 H new ATOM 0 HB2 ASN A 79 0.564 -5.924 -14.511 1.00 31.00 H new ATOM 0 HB3 ASN A 79 0.186 -7.435 -13.708 1.00 31.00 H new ATOM 0 HD21 ASN A 79 3.665 -7.905 -13.430 1.00 50.00 H new ATOM 0 HD22 ASN A 79 2.141 -7.533 -12.617 1.00 50.00 H new ATOM 1270 N PRO A 80 0.607 -9.438 -17.035 1.00 2.00 N ATOM 1271 CA PRO A 80 0.723 -10.846 -17.211 1.00 33.00 C ATOM 1272 C PRO A 80 1.972 -11.442 -16.535 1.00 54.00 C ATOM 1273 O PRO A 80 2.125 -12.661 -16.453 1.00 63.00 O ATOM 1274 CB PRO A 80 0.821 -10.998 -18.716 1.00 32.00 C ATOM 1275 CG PRO A 80 1.560 -9.776 -19.154 1.00 71.00 C ATOM 1276 CD PRO A 80 1.154 -8.684 -18.192 1.00 23.00 C ATOM 0 HA PRO A 80 -0.115 -11.375 -16.757 1.00 33.00 H new ATOM 0 HB2 PRO A 80 1.355 -11.908 -18.992 1.00 32.00 H new ATOM 0 HB3 PRO A 80 -0.165 -11.055 -19.177 1.00 32.00 H new ATOM 0 HG2 PRO A 80 2.637 -9.940 -19.128 1.00 71.00 H new ATOM 0 HG3 PRO A 80 1.303 -9.510 -20.179 1.00 71.00 H new ATOM 0 HD2 PRO A 80 2.003 -8.065 -17.904 1.00 23.00 H new ATOM 0 HD3 PRO A 80 0.408 -8.019 -18.628 1.00 23.00 H new ATOM 1284 N GLN A 81 2.861 -10.604 -16.062 1.00 0.00 N ATOM 1285 CA GLN A 81 4.054 -11.077 -15.525 1.00 43.00 C ATOM 1286 C GLN A 81 4.068 -10.998 -14.023 1.00 72.00 C ATOM 1287 O GLN A 81 4.543 -10.018 -13.446 1.00 52.00 O ATOM 1288 CB GLN A 81 5.222 -10.390 -16.150 1.00 13.00 C ATOM 1289 CG GLN A 81 6.532 -10.890 -15.651 1.00 30.00 C ATOM 1290 CD GLN A 81 7.697 -10.374 -16.440 1.00 31.00 C ATOM 1291 OE1 GLN A 81 8.283 -9.327 -16.122 1.00 12.00 O ATOM 1292 NE2 GLN A 81 8.022 -11.072 -17.485 1.00 50.00 N ATOM 0 H GLN A 81 2.754 -9.590 -16.051 1.00 0.00 H new ATOM 0 HA GLN A 81 4.135 -12.137 -15.766 1.00 43.00 H new ATOM 0 HB2 GLN A 81 5.178 -10.523 -17.231 1.00 13.00 H new ATOM 0 HB3 GLN A 81 5.152 -9.320 -15.957 1.00 13.00 H new ATOM 0 HG2 GLN A 81 6.651 -10.600 -14.607 1.00 30.00 H new ATOM 0 HG3 GLN A 81 6.534 -11.980 -15.682 1.00 30.00 H new ATOM 0 HE21 GLN A 81 7.511 -11.927 -17.707 1.00 50.00 H new ATOM 0 HE22 GLN A 81 8.788 -10.766 -18.085 1.00 50.00 H new ATOM 1301 N ARG A 82 3.400 -11.981 -13.461 1.00 12.00 N ATOM 1302 CA ARG A 82 3.313 -12.312 -12.010 1.00 12.00 C ATOM 1303 C ARG A 82 3.831 -11.236 -11.060 1.00 4.00 C ATOM 1304 O ARG A 82 5.019 -11.269 -10.691 1.00 31.00 O ATOM 1305 CB ARG A 82 3.984 -13.667 -11.722 1.00 31.00 C ATOM 1306 CG ARG A 82 3.235 -14.856 -12.299 1.00 53.00 C ATOM 1307 CD ARG A 82 1.932 -15.108 -11.548 1.00 64.00 C ATOM 1308 NE ARG A 82 1.087 -16.103 -12.220 1.00 53.00 N ATOM 1309 CZ ARG A 82 0.557 -17.192 -11.648 1.00 64.00 C ATOM 1310 NH1 ARG A 82 0.848 -17.493 -10.378 1.00 23.00 N ATOM 1311 NH2 ARG A 82 -0.268 -17.973 -12.343 1.00 22.00 N ATOM 1312 OXT ARG A 82 3.035 -10.361 -10.645 1.00 14.00 O ATOM 0 H ARG A 82 2.855 -12.632 -14.026 1.00 12.00 H new ATOM 0 HA ARG A 82 2.245 -12.372 -11.800 1.00 12.00 H new ATOM 0 HB2 ARG A 82 4.996 -13.655 -12.128 1.00 31.00 H new ATOM 0 HB3 ARG A 82 4.075 -13.795 -10.643 1.00 31.00 H new ATOM 0 HG2 ARG A 82 3.021 -14.677 -13.353 1.00 53.00 H new ATOM 0 HG3 ARG A 82 3.864 -15.745 -12.248 1.00 53.00 H new ATOM 0 HD2 ARG A 82 2.157 -15.449 -10.537 1.00 64.00 H new ATOM 0 HD3 ARG A 82 1.382 -14.172 -11.454 1.00 64.00 H new ATOM 0 HE ARG A 82 0.886 -15.952 -13.209 1.00 53.00 H new ATOM 0 HH11 ARG A 82 1.475 -16.893 -9.842 1.00 23.00 H new ATOM 0 HH12 ARG A 82 0.443 -18.323 -9.945 1.00 23.00 H new ATOM 0 HH21 ARG A 82 -0.496 -17.742 -13.310 1.00 22.00 H new ATOM 0 HH22 ARG A 82 -0.672 -18.803 -11.908 1.00 22.00 H new TER 1326 ARG A 82